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 1jv2_1_B DATA FIRST_RESID 55 DATA SEQUENCE EFPVSEARVL EDRPLSDKGS GDSSQVTQVS PQRIALRLRP DDSKNFSIQV DATA SEQUENCE RQVEDYPVDI YYLMDLSYSM KDDLWSIQNL GTKLATQMRK LTSNLRIGFG DATA SEQUENCE AFVDKPVSPY MYISPPEALE NPcYDMKTTc LPMFGYKHVL TLTDQVTRFN DATA SEQUENCE EEVKKQSVSR NRDAPEGGFD AIMQATVcDE KIGWRNDASH LLVFTTDAKT DATA SEQUENCE HIALDGRLAG IVQPNDGQcH VGSDNHYSAS TTMDYPSLGL MTEKLSQKNI DATA SEQUENCE NLIFAVTENV VNLYQNYSEL IPGTTVGVLS MDSSNVLQLI VDAYGKIRSK DATA SEQUENCE VELEVRDLPE ELSLSFNATc LNNEVIPGLK ScMGLKIGDT VSFSIEAKVR DATA SEQUENCE GcPQEKEKSF TIKPVGFKDS LIVQVTFDcD XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXKGE McSGHGQcSc GDcLcDSDWT DATA SEQUENCE GYYcNcTTRT DTcMSSNGLL cSGRGKcEcG ScVcIQPGSY GDTcEKCPTC DATA SEQUENCE PDAcTFKKEc VEcKKFDREP YMTENTcNRY cRDEIESVKE LKDTGKDAVN DATA SEQUENCE cTYKNEDDcV VRFQYYEDSS GKSILYVVEE PEcPKG 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 55 E HA 0.000 nan 4.350 nan 0.000 0.291 55 E C 0.000 176.895 176.600 0.492 0.000 1.382 55 E CA 0.000 56.614 56.400 0.356 0.000 0.976 55 E CB 0.000 29.823 29.700 0.205 0.000 0.812 56 F N -1.451 118.506 119.950 0.012 0.000 3.177 56 F HA 0.362 4.890 4.527 0.001 0.000 0.446 56 F C -2.784 173.026 175.800 0.016 0.000 1.007 56 F CA -1.716 56.293 58.000 0.014 0.000 1.259 56 F CB -0.005 39.006 39.000 0.018 0.000 2.840 56 F HN 0.116 nan 8.300 nan 0.000 0.597 57 P HA 0.043 nan 4.420 nan 0.000 0.263 57 P C 0.073 177.278 177.300 -0.158 0.000 1.175 57 P CA -0.050 62.973 63.100 -0.129 0.000 0.761 57 P CB 1.058 32.735 31.700 -0.039 0.000 0.794 58 V N 1.009 120.811 119.914 -0.186 0.000 2.498 58 V HA 0.590 4.711 4.120 0.001 0.000 0.279 58 V C 0.274 176.318 176.094 -0.084 0.000 1.048 58 V CA -0.483 61.734 62.300 -0.137 0.000 0.967 58 V CB 0.784 32.528 31.823 -0.131 0.000 0.988 58 V HN 0.636 nan 8.190 nan 0.000 0.473 59 S N 2.468 118.124 115.700 -0.074 0.000 2.568 59 S HA 0.672 5.143 4.470 0.001 0.000 0.293 59 S C -0.162 174.390 174.600 -0.080 0.000 1.089 59 S CA -0.507 57.655 58.200 -0.063 0.000 0.945 59 S CB 2.187 65.354 63.200 -0.055 0.000 1.077 59 S HN 1.008 nan 8.310 nan 0.000 0.485 60 E N 1.000 121.155 120.200 -0.074 0.000 3.167 60 E HA 0.327 4.678 4.350 0.001 0.000 0.210 60 E C 0.018 176.556 176.600 -0.103 0.000 1.004 60 E CA -0.730 55.603 56.400 -0.112 0.000 1.256 60 E CB 0.136 29.789 29.700 -0.078 0.000 1.193 60 E HN 0.787 nan 8.360 nan 0.000 0.448 61 A N 2.051 124.816 122.820 -0.091 0.000 2.550 61 A HA 0.041 4.362 4.320 0.001 0.000 0.263 61 A C 0.581 178.112 177.584 -0.087 0.000 1.065 61 A CA 0.132 52.124 52.037 -0.075 0.000 0.786 61 A CB -0.302 18.657 19.000 -0.068 0.000 0.985 61 A HN 0.452 nan 8.150 nan 0.000 0.518 62 R N 2.403 122.866 120.500 -0.063 0.000 2.594 62 R HA 0.368 4.709 4.340 0.001 0.000 0.272 62 R C 0.355 176.621 176.300 -0.055 0.000 1.074 62 R CA 0.643 56.708 56.100 -0.058 0.000 1.105 62 R CB 0.535 30.820 30.300 -0.026 0.000 1.008 62 R HN 0.391 nan 8.270 nan 0.000 0.472 63 V N 2.905 122.784 119.914 -0.058 0.000 3.058 63 V HA 0.255 4.376 4.120 0.001 0.000 0.233 63 V C -0.187 175.884 176.094 -0.037 0.000 1.255 63 V CA 0.222 62.492 62.300 -0.051 0.000 1.267 63 V CB -0.092 31.693 31.823 -0.063 0.000 1.049 63 V HN 0.629 nan 8.190 nan 0.000 0.486 64 L N 1.918 123.120 121.223 -0.035 0.000 2.354 64 L HA 0.729 5.070 4.340 0.001 0.000 0.269 64 L C -0.747 176.114 176.870 -0.016 0.000 1.005 64 L CA -0.211 54.615 54.840 -0.024 0.000 0.819 64 L CB 1.766 43.810 42.059 -0.025 0.000 1.311 64 L HN 0.500 nan 8.230 nan 0.000 0.423 65 E N 1.754 121.948 120.200 -0.010 0.000 2.829 65 E HA 0.227 4.578 4.350 0.001 0.000 0.369 65 E C -1.679 174.919 176.600 -0.005 0.000 1.097 65 E CA -0.670 55.727 56.400 -0.004 0.000 0.822 65 E CB -0.062 29.638 29.700 0.000 0.000 1.502 65 E HN 0.546 nan 8.360 nan 0.000 0.387 66 D N 2.637 123.033 120.400 -0.006 0.000 2.378 66 D HA 0.050 4.690 4.640 0.001 0.000 0.238 66 D C 0.379 176.673 176.300 -0.010 0.000 1.180 66 D CA 0.109 54.104 54.000 -0.009 0.000 0.895 66 D CB 0.817 41.610 40.800 -0.012 0.000 1.192 66 D HN 0.523 nan 8.370 nan 0.000 0.438 67 R N 0.016 120.508 120.500 -0.014 0.000 2.598 67 R HA 0.502 4.843 4.340 0.001 0.000 0.279 67 R C -2.905 173.378 176.300 -0.027 0.000 0.984 67 R CA -1.865 54.226 56.100 -0.016 0.000 0.999 67 R CB -0.002 30.289 30.300 -0.014 0.000 1.114 67 R HN -0.003 nan 8.270 nan 0.000 0.493 68 P HA -0.144 nan 4.420 nan 0.000 0.261 68 P C -0.608 176.657 177.300 -0.058 0.000 1.158 68 P CA 0.233 63.303 63.100 -0.050 0.000 0.758 68 P CB 0.244 31.919 31.700 -0.042 0.000 0.763 69 L N 3.851 125.024 121.223 -0.083 0.000 2.399 69 L HA 0.089 4.430 4.340 0.001 0.000 0.257 69 L C 0.699 177.522 176.870 -0.079 0.000 1.236 69 L CA 0.298 55.091 54.840 -0.079 0.000 1.144 69 L CB -1.031 40.971 42.059 -0.096 0.000 1.379 69 L HN 0.270 nan 8.230 nan 0.000 0.414 70 S N 3.057 118.722 115.700 -0.057 0.000 3.139 70 S HA -0.135 4.336 4.470 0.001 0.000 0.357 70 S C 0.405 174.977 174.600 -0.045 0.000 0.831 70 S CA 0.347 58.518 58.200 -0.048 0.000 2.150 70 S CB -1.076 62.104 63.200 -0.033 0.000 1.191 70 S HN 0.728 nan 8.310 nan 0.000 0.680 71 D N 1.485 121.850 120.400 -0.057 0.000 2.837 71 D HA -0.163 4.478 4.640 0.001 0.000 0.230 71 D C -0.363 175.915 176.300 -0.037 0.000 1.152 71 D CA 0.954 54.928 54.000 -0.044 0.000 0.736 71 D CB -1.212 39.575 40.800 -0.021 0.000 1.084 71 D HN 0.659 nan 8.370 nan 0.000 0.429 72 K N 0.229 120.595 120.400 -0.057 0.000 2.655 72 K HA 0.406 4.727 4.320 0.001 0.000 0.213 72 K C 1.614 178.185 176.600 -0.048 0.000 1.126 72 K CA -0.004 56.259 56.287 -0.041 0.000 1.076 72 K CB 0.936 33.413 32.500 -0.039 0.000 1.644 72 K HN 0.129 nan 8.250 nan 0.000 0.523 73 G N 1.010 109.796 108.800 -0.023 0.000 2.421 73 G HA2 -0.273 3.688 3.960 0.001 0.000 0.216 73 G HA3 -0.273 3.688 3.960 0.001 0.000 0.216 73 G C 1.402 176.340 174.900 0.064 0.000 1.171 73 G CA 0.928 46.041 45.100 0.021 0.000 0.775 73 G HN 0.505 nan 8.290 nan 0.000 0.543 74 S N 0.787 116.519 115.700 0.052 0.000 2.660 74 S HA 0.271 4.741 4.470 0.001 0.000 0.228 74 S C 1.538 176.157 174.600 0.030 0.000 0.966 74 S CA 0.282 58.511 58.200 0.048 0.000 0.940 74 S CB -0.563 62.659 63.200 0.036 0.000 0.773 74 S HN 0.747 nan 8.310 nan 0.000 0.535 75 G N 2.659 111.468 108.800 0.016 0.000 2.930 75 G HA2 -0.162 3.799 3.960 0.001 0.000 0.322 75 G HA3 -0.162 3.799 3.960 0.001 0.000 0.322 75 G C -0.210 174.696 174.900 0.011 0.000 0.250 75 G CA 0.205 45.307 45.100 0.004 0.000 1.215 75 G HN 0.540 nan 8.290 nan 0.000 0.231 76 D N 2.345 122.750 120.400 0.008 0.000 2.441 76 D HA 0.123 4.764 4.640 0.001 0.000 0.243 76 D C 1.163 177.467 176.300 0.007 0.000 1.257 76 D CA 0.942 54.947 54.000 0.009 0.000 1.027 76 D CB -0.155 40.649 40.800 0.006 0.000 1.084 76 D HN 0.608 nan 8.370 nan 0.000 0.514 77 S N 2.202 117.908 115.700 0.010 0.000 3.476 77 S HA -0.208 4.263 4.470 0.001 0.000 0.309 77 S C 0.754 175.357 174.600 0.004 0.000 1.222 77 S CA 1.020 59.225 58.200 0.009 0.000 0.922 77 S CB -1.324 61.880 63.200 0.007 0.000 1.023 77 S HN 0.456 nan 8.310 nan 0.000 0.591 78 S N 1.581 117.282 115.700 0.001 0.000 2.572 78 S HA 0.119 4.590 4.470 0.001 0.000 0.228 78 S C 0.723 175.319 174.600 -0.007 0.000 0.963 78 S CA 0.277 58.474 58.200 -0.006 0.000 0.939 78 S CB 0.606 63.798 63.200 -0.013 0.000 0.804 78 S HN 0.880 nan 8.310 nan 0.000 0.480 79 Q N 0.357 120.159 119.800 0.003 0.000 2.378 79 Q HA -0.215 4.126 4.340 0.001 0.000 0.296 79 Q C 0.139 176.138 176.000 -0.001 0.000 1.209 79 Q CA 0.695 56.504 55.803 0.010 0.000 0.910 79 Q CB -2.795 25.949 28.738 0.011 0.000 1.240 79 Q HN 0.555 nan 8.270 nan 0.000 0.499 80 V N 0.664 120.567 119.914 -0.018 0.000 3.370 80 V HA -0.190 3.931 4.120 0.001 0.000 0.272 80 V C 0.392 176.434 176.094 -0.086 0.000 1.784 80 V CA 2.142 64.403 62.300 -0.065 0.000 1.705 80 V CB -0.197 31.579 31.823 -0.077 0.000 0.943 80 V HN 0.999 nan 8.190 nan 0.000 0.391 81 T N 3.551 118.037 114.554 -0.113 0.000 2.886 81 T HA 0.631 4.981 4.350 0.001 0.000 0.292 81 T C 0.095 174.701 174.700 -0.158 0.000 1.012 81 T CA -0.205 61.833 62.100 -0.104 0.000 0.982 81 T CB 2.076 70.913 68.868 -0.052 0.000 1.018 81 T HN 0.750 nan 8.240 nan 0.000 0.451 82 Q N 1.066 120.761 119.800 -0.175 0.000 2.378 82 Q HA 0.277 4.617 4.340 0.001 0.000 0.229 82 Q C 0.001 175.961 176.000 -0.067 0.000 0.882 82 Q CA 0.094 55.767 55.803 -0.217 0.000 0.936 82 Q CB 1.062 29.524 28.738 -0.459 0.000 1.092 82 Q HN 0.584 nan 8.270 nan 0.000 0.535 83 V N 1.876 121.792 119.914 0.002 0.000 2.417 83 V HA 0.073 4.194 4.120 0.001 0.000 0.291 83 V C 1.083 177.204 176.094 0.046 0.000 1.024 83 V CA -0.167 62.178 62.300 0.075 0.000 0.861 83 V CB 1.557 33.461 31.823 0.136 0.000 0.985 83 V HN 0.306 nan 8.190 nan 0.000 0.436 84 S N 6.244 121.974 115.700 0.050 0.000 2.492 84 S HA -0.090 4.381 4.470 0.001 0.000 0.234 84 S C -1.687 172.934 174.600 0.035 0.000 1.050 84 S CA 1.170 59.391 58.200 0.035 0.000 1.203 84 S CB -1.542 61.681 63.200 0.038 0.000 1.161 84 S HN 0.646 nan 8.310 nan 0.000 0.417 85 P HA 0.403 nan 4.420 nan 0.000 0.273 85 P C -0.218 177.102 177.300 0.032 0.000 1.531 85 P CA -0.477 62.646 63.100 0.038 0.000 1.027 85 P CB 0.878 32.608 31.700 0.050 0.000 1.387 86 Q N 1.481 121.292 119.800 0.018 0.000 2.615 86 Q HA -0.101 4.239 4.340 0.001 0.000 0.220 86 Q C 0.493 176.487 176.000 -0.010 0.000 0.981 86 Q CA 1.262 57.072 55.803 0.011 0.000 0.939 86 Q CB -0.038 28.703 28.738 0.006 0.000 0.982 86 Q HN 0.431 nan 8.270 nan 0.000 0.550 87 R N -1.452 119.033 120.500 -0.024 0.000 2.921 87 R HA 0.523 4.864 4.340 0.001 0.000 0.268 87 R C -1.704 174.543 176.300 -0.087 0.000 1.008 87 R CA -0.576 55.486 56.100 -0.063 0.000 0.876 87 R CB 0.799 31.062 30.300 -0.061 0.000 1.395 87 R HN 0.038 nan 8.270 nan 0.000 0.443 88 I N -0.733 119.755 120.570 -0.136 0.000 1.921 88 I HA 0.494 4.664 4.170 0.001 0.000 0.318 88 I C -2.185 173.794 176.117 -0.229 0.000 2.805 88 I CA 0.119 61.312 61.300 -0.177 0.000 0.962 88 I CB 1.701 39.562 38.000 -0.232 0.000 2.118 88 I HN 0.835 nan 8.210 nan 0.000 0.692 89 A N 5.225 127.903 122.820 -0.238 0.000 2.513 89 A HA 0.709 5.030 4.320 0.001 0.000 0.296 89 A C -1.773 175.673 177.584 -0.231 0.000 1.052 89 A CA -0.500 51.395 52.037 -0.236 0.000 0.714 89 A CB 1.446 20.344 19.000 -0.170 0.000 1.279 89 A HN 1.006 nan 8.150 nan 0.000 0.397 90 L N 0.169 121.243 121.223 -0.247 0.000 2.385 90 L HA 0.865 5.205 4.340 0.001 0.000 0.273 90 L C -0.366 176.399 176.870 -0.175 0.000 0.990 90 L CA -0.747 53.972 54.840 -0.201 0.000 0.821 90 L CB 1.959 43.888 42.059 -0.217 0.000 1.279 90 L HN 0.781 nan 8.230 nan 0.000 0.412 91 R N 4.637 125.059 120.500 -0.130 0.000 2.280 91 R HA 0.561 4.901 4.340 0.001 0.000 0.326 91 R C -1.314 174.946 176.300 -0.067 0.000 1.080 91 R CA -0.529 55.504 56.100 -0.112 0.000 1.002 91 R CB 0.625 30.877 30.300 -0.080 0.000 1.136 91 R HN 0.810 nan 8.270 nan 0.000 0.509 92 L N 5.733 126.940 121.223 -0.027 0.000 2.305 92 L HA 0.402 4.743 4.340 0.001 0.000 0.281 92 L C 0.816 177.767 176.870 0.135 0.000 1.085 92 L CA -0.561 54.324 54.840 0.075 0.000 0.813 92 L CB 0.994 43.172 42.059 0.198 0.000 1.157 92 L HN 0.575 nan 8.230 nan 0.000 0.436 93 R N 4.502 125.000 120.500 -0.004 0.000 2.546 93 R HA 0.477 4.817 4.340 0.001 0.000 0.266 93 R C -2.536 173.803 176.300 0.065 0.000 1.086 93 R CA -1.783 54.303 56.100 -0.024 0.000 1.160 93 R CB 0.093 30.089 30.300 -0.506 0.000 1.138 93 R HN 0.279 nan 8.270 nan 0.000 0.567 94 P HA -0.141 nan 4.420 nan 0.000 0.261 94 P C -0.616 176.725 177.300 0.069 0.000 1.183 94 P CA 0.629 63.787 63.100 0.097 0.000 0.761 94 P CB 0.307 32.090 31.700 0.137 0.000 0.785 95 D N -0.755 119.665 120.400 0.032 0.000 3.059 95 D HA -0.169 4.472 4.640 0.001 0.000 0.213 95 D C 0.036 176.352 176.300 0.027 0.000 1.144 95 D CA 1.518 55.535 54.000 0.029 0.000 0.975 95 D CB -0.598 40.222 40.800 0.035 0.000 1.125 95 D HN 0.481 nan 8.370 nan 0.000 0.412 96 D N -0.129 120.282 120.400 0.018 0.000 2.181 96 D HA 0.412 5.053 4.640 0.001 0.000 0.248 96 D C 0.053 176.363 176.300 0.018 0.000 1.020 96 D CA -0.143 53.855 54.000 -0.003 0.000 0.891 96 D CB 1.414 42.174 40.800 -0.068 0.000 1.187 96 D HN 0.076 nan 8.370 nan 0.000 0.443 97 S N 1.843 117.553 115.700 0.017 0.000 2.767 97 S HA 0.832 5.303 4.470 0.001 0.000 0.300 97 S C -0.443 174.176 174.600 0.032 0.000 1.123 97 S CA -0.693 57.529 58.200 0.037 0.000 0.992 97 S CB 2.312 65.533 63.200 0.035 0.000 1.138 97 S HN 0.303 nan 8.310 nan 0.000 0.550 98 K N 0.315 120.753 120.400 0.064 0.000 2.557 98 K HA 0.374 4.695 4.320 0.001 0.000 0.261 98 K C -1.670 175.024 176.600 0.157 0.000 0.932 98 K CA -0.388 55.945 56.287 0.077 0.000 0.829 98 K CB 1.561 34.091 32.500 0.051 0.000 1.358 98 K HN 1.008 nan 8.250 nan 0.000 0.430 99 N N 1.703 120.485 118.700 0.137 0.000 2.466 99 N HA 0.797 5.538 4.740 0.001 0.000 0.294 99 N C -1.012 174.661 175.510 0.273 0.000 1.129 99 N CA -0.710 52.423 53.050 0.139 0.000 0.931 99 N CB 1.099 39.604 38.487 0.030 0.000 1.193 99 N HN 0.358 nan 8.380 nan 0.000 0.500 100 F N -2.253 117.681 119.950 -0.028 0.000 2.650 100 F HA 0.557 5.086 4.527 0.003 0.000 0.310 100 F C -1.258 174.541 175.800 -0.001 0.000 1.112 100 F CA -1.086 56.905 58.000 -0.016 0.000 0.986 100 F CB 1.048 40.037 39.000 -0.019 0.000 1.285 100 F HN 0.359 nan 8.300 nan 0.000 0.440 101 S N 3.713 119.446 115.700 0.056 0.000 2.652 101 S HA 0.737 5.208 4.470 0.001 0.000 0.270 101 S C -0.938 173.705 174.600 0.072 0.000 1.243 101 S CA -0.650 57.545 58.200 -0.007 0.000 0.999 101 S CB 1.606 64.817 63.200 0.018 0.000 0.973 101 S HN 0.738 nan 8.310 nan 0.000 0.544 102 I N 1.716 122.328 120.570 0.071 0.000 2.680 102 I HA 0.361 4.532 4.170 0.001 0.000 0.291 102 I C -1.886 174.310 176.117 0.131 0.000 1.244 102 I CA -0.526 60.861 61.300 0.146 0.000 1.042 102 I CB 1.890 40.016 38.000 0.210 0.000 1.277 102 I HN 0.631 nan 8.210 nan 0.000 0.423 103 Q N 4.756 124.618 119.800 0.103 0.000 2.387 103 Q HA 0.793 5.134 4.340 0.001 0.000 0.273 103 Q C -1.241 174.822 176.000 0.104 0.000 1.089 103 Q CA -0.626 55.209 55.803 0.052 0.000 0.824 103 Q CB 3.355 32.097 28.738 0.006 0.000 1.367 103 Q HN 0.447 nan 8.270 nan 0.000 0.443 104 V N 0.880 120.852 119.914 0.096 0.000 2.851 104 V HA 0.757 4.878 4.120 0.001 0.000 0.307 104 V C -1.815 174.336 176.094 0.095 0.000 1.129 104 V CA -0.618 61.778 62.300 0.159 0.000 0.932 104 V CB 2.012 34.039 31.823 0.341 0.000 1.024 104 V HN 0.792 nan 8.190 nan 0.000 0.426 105 R N 4.569 125.085 120.500 0.027 0.000 2.750 105 R HA 0.571 4.912 4.340 0.001 0.000 0.281 105 R C -1.053 175.180 176.300 -0.111 0.000 0.972 105 R CA -0.771 55.310 56.100 -0.032 0.000 0.912 105 R CB 2.124 32.383 30.300 -0.068 0.000 1.187 105 R HN 0.681 nan 8.270 nan 0.000 0.464 106 Q N 3.193 122.958 119.800 -0.059 0.000 3.150 106 Q HA 0.076 4.417 4.340 0.001 0.000 0.297 106 Q C -0.180 175.756 176.000 -0.106 0.000 1.382 106 Q CA -0.095 55.662 55.803 -0.077 0.000 1.059 106 Q CB 0.657 29.408 28.738 0.021 0.000 1.559 106 Q HN 0.476 nan 8.270 nan 0.000 0.548 107 V N 2.537 122.318 119.914 -0.222 0.000 2.555 107 V HA -0.124 3.997 4.120 0.001 0.000 0.299 107 V C 0.670 176.703 176.094 -0.101 0.000 1.012 107 V CA 0.409 62.583 62.300 -0.210 0.000 1.180 107 V CB 0.117 31.720 31.823 -0.366 0.000 0.887 107 V HN 0.494 nan 8.190 nan 0.000 0.476 108 E N 4.758 124.938 120.200 -0.034 0.000 2.459 108 E HA -0.065 4.286 4.350 0.001 0.000 0.264 108 E C 0.748 177.384 176.600 0.060 0.000 1.055 108 E CA 0.967 57.386 56.400 0.032 0.000 0.957 108 E CB 0.172 29.885 29.700 0.021 0.000 0.952 108 E HN 1.009 nan 8.360 nan 0.000 0.448 109 D N 1.173 121.638 120.400 0.109 0.000 2.697 109 D HA -0.246 4.395 4.640 0.001 0.000 0.238 109 D C -1.377 175.039 176.300 0.193 0.000 1.152 109 D CA 0.606 54.678 54.000 0.119 0.000 0.666 109 D CB -1.364 39.476 40.800 0.066 0.000 1.037 109 D HN 0.281 nan 8.370 nan 0.000 0.423 110 Y N 0.675 121.024 120.300 0.081 0.000 2.313 110 Y HA 0.453 5.003 4.550 0.001 0.000 0.332 110 Y C -2.022 173.943 175.900 0.107 0.000 1.071 110 Y CA -2.748 55.400 58.100 0.079 0.000 1.169 110 Y CB 0.858 39.362 38.460 0.074 0.000 1.192 110 Y HN 0.072 nan 8.280 nan 0.000 0.487 111 P HA 0.054 nan 4.420 nan 0.000 0.267 111 P C -0.892 176.369 177.300 -0.065 0.000 1.205 111 P CA 0.308 63.418 63.100 0.016 0.000 0.765 111 P CB 1.144 32.860 31.700 0.026 0.000 0.828 112 V N 3.611 123.519 119.914 -0.010 0.000 2.612 112 V HA 0.370 4.491 4.120 0.001 0.000 0.301 112 V C 0.084 176.199 176.094 0.036 0.000 1.046 112 V CA -0.290 62.030 62.300 0.032 0.000 0.946 112 V CB 1.620 33.454 31.823 0.017 0.000 1.003 112 V HN 0.428 nan 8.190 nan 0.000 0.459 113 D N 3.004 123.465 120.400 0.101 0.000 2.502 113 D HA 0.638 5.279 4.640 0.001 0.000 0.249 113 D C -0.792 175.655 176.300 0.244 0.000 1.092 113 D CA -0.013 54.065 54.000 0.130 0.000 0.839 113 D CB 1.953 42.838 40.800 0.142 0.000 1.264 113 D HN 0.364 nan 8.370 nan 0.000 0.511 114 I N 2.583 123.265 120.570 0.187 0.000 2.439 114 I HA 0.216 4.387 4.170 0.001 0.000 0.285 114 I C -1.267 175.019 176.117 0.281 0.000 1.021 114 I CA -1.002 60.449 61.300 0.251 0.000 1.091 114 I CB 1.626 39.729 38.000 0.173 0.000 1.242 114 I HN 0.283 nan 8.210 nan 0.000 0.439 115 Y N 6.848 127.276 120.300 0.215 0.000 2.353 115 Y HA 0.291 4.842 4.550 0.002 0.000 0.340 115 Y C -0.825 175.241 175.900 0.277 0.000 0.972 115 Y CA -0.501 57.715 58.100 0.192 0.000 1.157 115 Y CB 0.848 39.362 38.460 0.090 0.000 1.157 115 Y HN 0.432 nan 8.280 nan 0.000 0.495 116 Y N 7.451 127.738 120.300 -0.021 0.000 2.556 116 Y HA 0.324 4.875 4.550 0.001 0.000 0.352 116 Y C -0.931 174.858 175.900 -0.185 0.000 1.006 116 Y CA -0.239 57.920 58.100 0.098 0.000 1.277 116 Y CB 0.194 38.941 38.460 0.477 0.000 1.136 116 Y HN 0.582 nan 8.280 nan 0.000 0.523 117 L N 8.602 129.719 121.223 -0.177 0.000 2.283 117 L HA 0.415 4.756 4.340 0.001 0.000 0.281 117 L C -0.567 176.261 176.870 -0.069 0.000 1.033 117 L CA -0.503 54.331 54.840 -0.009 0.000 0.848 117 L CB 0.333 42.563 42.059 0.284 0.000 1.226 117 L HN 0.682 nan 8.230 nan 0.000 0.429 118 M N 0.871 120.440 119.600 -0.052 0.000 2.578 118 M HA 0.505 4.986 4.480 0.001 0.000 0.321 118 M C -0.735 175.589 176.300 0.039 0.000 1.182 118 M CA -0.804 54.520 55.300 0.040 0.000 0.965 118 M CB 1.891 34.587 32.600 0.162 0.000 1.694 118 M HN 0.206 nan 8.290 nan 0.000 0.461 119 D N 2.117 122.419 120.400 -0.164 0.000 2.417 119 D HA 0.202 4.843 4.640 0.001 0.000 0.250 119 D C -0.859 175.249 176.300 -0.320 0.000 1.166 119 D CA -0.045 53.548 54.000 -0.677 0.000 0.881 119 D CB 0.814 41.394 40.800 -0.366 0.000 1.164 119 D HN 0.626 nan 8.370 nan 0.000 0.467 120 L N 3.674 124.709 121.223 -0.313 0.000 3.084 120 L HA 0.223 4.564 4.340 0.001 0.000 0.238 120 L C 0.076 176.925 176.870 -0.036 0.000 1.327 120 L CA -0.166 54.670 54.840 -0.007 0.000 1.094 120 L CB -0.563 41.687 42.059 0.319 0.000 1.477 120 L HN 0.396 nan 8.230 nan 0.000 0.514 121 S N -2.410 113.240 115.700 -0.084 0.000 2.672 121 S HA 0.150 4.621 4.470 0.001 0.000 0.276 121 S C 1.198 175.831 174.600 0.056 0.000 1.207 121 S CA -0.442 57.745 58.200 -0.022 0.000 1.002 121 S CB 0.604 63.781 63.200 -0.039 0.000 0.998 121 S HN 0.294 nan 8.310 nan 0.000 0.542 122 Y N 2.264 122.559 120.300 -0.008 0.000 2.139 122 Y HA -0.238 4.313 4.550 0.001 0.000 0.282 122 Y C 2.714 178.618 175.900 0.005 0.000 1.179 122 Y CA 2.444 60.548 58.100 0.006 0.000 1.161 122 Y CB -0.932 37.532 38.460 0.007 0.000 0.970 122 Y HN 0.846 nan 8.280 nan 0.000 0.511 123 S N -0.827 114.916 115.700 0.072 0.000 2.465 123 S HA -0.177 4.294 4.470 0.001 0.000 0.241 123 S C 1.326 175.901 174.600 -0.042 0.000 1.000 123 S CA 1.216 59.421 58.200 0.009 0.000 0.964 123 S CB -0.411 62.813 63.200 0.040 0.000 0.763 123 S HN 0.352 nan 8.310 nan 0.000 0.512 124 M N 1.186 120.759 119.600 -0.044 0.000 2.854 124 M HA 0.330 4.811 4.480 0.001 0.000 0.251 124 M C 1.315 177.592 176.300 -0.038 0.000 1.301 124 M CA 0.093 55.382 55.300 -0.017 0.000 1.059 124 M CB -0.422 32.179 32.600 0.003 0.000 1.419 124 M HN 0.387 nan 8.290 nan 0.000 0.467 125 K N 1.414 121.737 120.400 -0.129 0.000 2.020 125 K HA -0.113 4.207 4.320 0.001 0.000 0.206 125 K C 1.344 177.909 176.600 -0.058 0.000 1.038 125 K CA 1.605 57.788 56.287 -0.173 0.000 0.947 125 K CB 0.188 32.454 32.500 -0.390 0.000 0.744 125 K HN 0.347 nan 8.250 nan 0.000 0.442 126 D N 0.921 121.281 120.400 -0.066 0.000 2.190 126 D HA -0.213 4.428 4.640 0.001 0.000 0.200 126 D C 1.117 177.487 176.300 0.117 0.000 0.992 126 D CA 1.536 55.539 54.000 0.005 0.000 0.854 126 D CB -0.726 40.065 40.800 -0.014 0.000 0.936 126 D HN 0.267 nan 8.370 nan 0.000 0.462 127 D N 0.483 120.934 120.400 0.086 0.000 2.078 127 D HA -0.116 4.525 4.640 0.001 0.000 0.193 127 D C 1.854 178.247 176.300 0.155 0.000 0.990 127 D CA 0.545 54.617 54.000 0.120 0.000 0.827 127 D CB -0.458 40.403 40.800 0.103 0.000 0.975 127 D HN 0.082 nan 8.370 nan 0.000 0.451 128 L N 0.311 121.622 121.223 0.147 0.000 2.642 128 L HA -0.076 4.264 4.340 0.001 0.000 0.236 128 L C 1.286 178.265 176.870 0.181 0.000 1.169 128 L CA 1.010 55.937 54.840 0.145 0.000 0.851 128 L CB -0.277 41.856 42.059 0.122 0.000 0.968 128 L HN 0.286 nan 8.230 nan 0.000 0.453 129 W N -0.585 120.705 121.300 -0.016 0.000 2.619 129 W HA -0.024 4.637 4.660 0.001 0.000 0.309 129 W C 1.555 178.062 176.519 -0.019 0.000 1.126 129 W CA 0.759 58.089 57.345 -0.025 0.000 1.472 129 W CB -0.343 29.102 29.460 -0.026 0.000 1.164 129 W HN 0.252 nan 8.180 nan 0.000 0.503 130 S N 0.932 116.695 115.700 0.105 0.000 3.122 130 S HA 0.208 4.679 4.470 0.001 0.000 0.249 130 S C 0.456 175.044 174.600 -0.020 0.000 1.334 130 S CA 0.051 58.233 58.200 -0.030 0.000 1.251 130 S CB -0.539 62.699 63.200 0.064 0.000 1.034 130 S HN 0.376 nan 8.310 nan 0.000 0.478 131 I N -0.274 120.266 120.570 -0.051 0.000 5.157 131 I HA -0.052 4.118 4.170 0.001 0.000 0.350 131 I C 2.227 178.300 176.117 -0.073 0.000 1.233 131 I CA 0.086 61.359 61.300 -0.046 0.000 1.476 131 I CB 0.350 38.355 38.000 0.009 0.000 1.619 131 I HN 0.420 nan 8.210 nan 0.000 0.557 132 Q N 0.810 120.531 119.800 -0.131 0.000 2.119 132 Q HA -0.181 4.160 4.340 0.001 0.000 0.201 132 Q C 1.356 177.277 176.000 -0.132 0.000 0.972 132 Q CA 1.994 57.699 55.803 -0.163 0.000 0.847 132 Q CB -0.476 28.127 28.738 -0.225 0.000 0.903 132 Q HN 0.310 nan 8.270 nan 0.000 0.433 133 N N 0.108 118.709 118.700 -0.166 0.000 2.396 133 N HA -0.008 4.733 4.740 0.001 0.000 0.180 133 N C 0.323 175.769 175.510 -0.107 0.000 1.028 133 N CA 0.095 53.057 53.050 -0.146 0.000 0.893 133 N CB 0.043 38.428 38.487 -0.172 0.000 0.967 133 N HN 0.212 nan 8.380 nan 0.000 0.440 134 L N -1.142 120.024 121.223 -0.095 0.000 2.456 134 L HA 0.322 4.663 4.340 0.001 0.000 0.246 134 L C 1.657 178.395 176.870 -0.221 0.000 1.238 134 L CA 1.326 56.078 54.840 -0.147 0.000 0.826 134 L CB -0.104 41.855 42.059 -0.165 0.000 1.150 134 L HN 0.372 nan 8.230 nan 0.000 0.514 135 G N -0.457 108.048 108.800 -0.490 0.000 3.206 135 G HA2 -0.376 3.585 3.960 0.001 0.000 0.217 135 G HA3 -0.376 3.585 3.960 0.001 0.000 0.217 135 G C 1.016 175.723 174.900 -0.321 0.000 1.350 135 G CA 0.621 45.297 45.100 -0.706 0.000 0.836 135 G HN 0.715 nan 8.290 nan 0.000 0.548 136 T N 1.346 115.787 114.554 -0.189 0.000 2.770 136 T HA 0.079 4.430 4.350 0.001 0.000 0.258 136 T C 2.195 176.820 174.700 -0.126 0.000 1.039 136 T CA 1.727 63.751 62.100 -0.127 0.000 1.143 136 T CB -0.241 68.572 68.868 -0.090 0.000 0.866 136 T HN 0.497 nan 8.240 nan 0.000 0.428 137 K N 0.769 121.094 120.400 -0.125 0.000 2.113 137 K HA -0.091 4.230 4.320 0.001 0.000 0.208 137 K C 2.173 178.706 176.600 -0.112 0.000 1.047 137 K CA 0.949 57.174 56.287 -0.104 0.000 0.928 137 K CB -0.386 32.057 32.500 -0.095 0.000 0.716 137 K HN 0.125 nan 8.250 nan 0.000 0.446 138 L N 1.221 122.349 121.223 -0.158 0.000 1.976 138 L HA -0.137 4.204 4.340 0.001 0.000 0.209 138 L C 2.284 179.073 176.870 -0.134 0.000 1.071 138 L CA 2.025 56.771 54.840 -0.157 0.000 0.746 138 L CB -0.972 40.943 42.059 -0.241 0.000 0.890 138 L HN 0.142 nan 8.230 nan 0.000 0.432 139 A N -1.179 121.554 122.820 -0.146 0.000 1.896 139 A HA -0.328 3.992 4.320 0.001 0.000 0.220 139 A C 2.274 179.804 177.584 -0.090 0.000 1.206 139 A CA 2.956 54.924 52.037 -0.115 0.000 0.647 139 A CB -1.553 17.383 19.000 -0.107 0.000 0.828 139 A HN 0.587 nan 8.150 nan 0.000 0.455 140 T N -0.014 114.492 114.554 -0.080 0.000 2.699 140 T HA -0.206 4.145 4.350 0.001 0.000 0.268 140 T C 2.063 176.728 174.700 -0.059 0.000 1.036 140 T CA 1.735 63.798 62.100 -0.062 0.000 1.147 140 T CB -0.289 68.546 68.868 -0.055 0.000 0.862 140 T HN 0.578 nan 8.240 nan 0.000 0.446 141 Q N 0.251 120.013 119.800 -0.064 0.000 2.020 141 Q HA 0.140 4.481 4.340 0.001 0.000 0.198 141 Q C 2.364 178.318 176.000 -0.077 0.000 0.974 141 Q CA 0.874 56.643 55.803 -0.057 0.000 0.829 141 Q CB -0.469 28.240 28.738 -0.049 0.000 0.894 141 Q HN 0.409 nan 8.270 nan 0.000 0.433 142 M N 0.502 120.039 119.600 -0.104 0.000 2.374 142 M HA -0.067 4.414 4.480 0.001 0.000 0.264 142 M C 1.823 178.046 176.300 -0.127 0.000 1.067 142 M CA 0.948 56.157 55.300 -0.152 0.000 1.103 142 M CB -0.609 31.891 32.600 -0.166 0.000 1.402 142 M HN 0.074 nan 8.290 nan 0.000 0.444 143 R N 0.721 121.169 120.500 -0.087 0.000 2.092 143 R HA -0.043 4.298 4.340 0.001 0.000 0.231 143 R C 1.369 177.640 176.300 -0.049 0.000 1.119 143 R CA 0.999 57.062 56.100 -0.063 0.000 0.970 143 R CB -0.335 29.935 30.300 -0.051 0.000 0.864 143 R HN 0.383 nan 8.270 nan 0.000 0.440 144 K N 0.391 120.763 120.400 -0.047 0.000 2.632 144 K HA -0.035 4.286 4.320 0.001 0.000 0.196 144 K C 0.579 177.164 176.600 -0.024 0.000 1.023 144 K CA 0.260 56.530 56.287 -0.028 0.000 1.098 144 K CB 0.219 32.706 32.500 -0.022 0.000 0.862 144 K HN -0.031 nan 8.250 nan 0.000 0.504 145 L N -1.363 119.830 121.223 -0.051 0.000 3.406 145 L HA 0.135 4.476 4.340 0.001 0.000 0.309 145 L C -0.383 176.465 176.870 -0.037 0.000 1.159 145 L CA 0.572 55.383 54.840 -0.049 0.000 1.122 145 L CB 1.537 43.497 42.059 -0.164 0.000 1.633 145 L HN -0.150 nan 8.230 nan 0.000 0.607 146 T N -2.283 112.240 114.554 -0.052 0.000 2.885 146 T HA 0.300 4.651 4.350 0.001 0.000 0.322 146 T C 0.625 175.318 174.700 -0.012 0.000 1.387 146 T CA 0.155 62.246 62.100 -0.016 0.000 1.041 146 T CB 1.890 70.731 68.868 -0.045 0.000 1.287 146 T HN 0.003 nan 8.240 nan 0.000 0.491 147 S N 1.665 117.373 115.700 0.014 0.000 2.355 147 S HA 0.058 4.529 4.470 0.001 0.000 0.216 147 S C 0.737 175.339 174.600 0.003 0.000 1.037 147 S CA 0.354 58.560 58.200 0.009 0.000 0.955 147 S CB -0.436 62.778 63.200 0.023 0.000 0.877 147 S HN 0.666 nan 8.310 nan 0.000 0.488 148 N N 0.921 119.629 118.700 0.014 0.000 2.462 148 N HA 0.442 5.183 4.740 0.001 0.000 0.242 148 N C -1.301 174.205 175.510 -0.007 0.000 1.010 148 N CA -0.630 52.424 53.050 0.007 0.000 0.939 148 N CB 0.914 39.413 38.487 0.021 0.000 1.127 148 N HN 0.341 nan 8.380 nan 0.000 0.509 149 L N 3.826 125.036 121.223 -0.021 0.000 2.319 149 L HA 0.576 4.917 4.340 0.001 0.000 0.281 149 L C -0.655 176.200 176.870 -0.024 0.000 1.005 149 L CA -0.558 54.262 54.840 -0.033 0.000 0.828 149 L CB 0.704 42.728 42.059 -0.059 0.000 1.227 149 L HN 0.485 nan 8.230 nan 0.000 0.415 150 R N 4.549 125.042 120.500 -0.012 0.000 2.528 150 R HA 0.623 4.964 4.340 0.001 0.000 0.271 150 R C -1.003 175.300 176.300 0.005 0.000 1.056 150 R CA -0.600 55.497 56.100 -0.005 0.000 1.117 150 R CB 1.501 31.794 30.300 -0.011 0.000 1.085 150 R HN 0.772 nan 8.270 nan 0.000 0.530 151 I N -0.215 120.370 120.570 0.025 0.000 2.722 151 I HA 0.465 4.636 4.170 0.001 0.000 0.292 151 I C -0.387 175.822 176.117 0.153 0.000 1.267 151 I CA -0.388 60.950 61.300 0.064 0.000 1.036 151 I CB 2.442 40.432 38.000 -0.017 0.000 1.281 151 I HN 0.694 nan 8.210 nan 0.000 0.423 152 G N 4.567 113.494 108.800 0.211 0.000 2.766 152 G HA2 0.750 4.710 3.960 0.001 0.000 0.288 152 G HA3 0.750 4.710 3.960 0.001 0.000 0.288 152 G C -2.225 172.751 174.900 0.127 0.000 1.408 152 G CA -0.444 44.761 45.100 0.176 0.000 0.852 152 G HN 0.395 nan 8.290 nan 0.000 0.487 153 F N -1.057 118.664 119.950 -0.382 0.000 2.662 153 F HA 0.770 5.298 4.527 0.001 0.000 0.312 153 F C -0.083 175.448 175.800 -0.449 0.000 1.113 153 F CA -0.000 57.762 58.000 -0.396 0.000 0.951 153 F CB 2.325 41.132 39.000 -0.321 0.000 1.344 153 F HN 0.990 nan 8.300 nan 0.000 0.462 154 G N 1.332 109.668 108.800 -0.773 0.000 2.703 154 G HA2 0.750 4.711 3.960 0.001 0.000 0.294 154 G HA3 0.750 4.711 3.960 0.001 0.000 0.294 154 G C -2.456 172.309 174.900 -0.225 0.000 1.451 154 G CA -0.311 44.753 45.100 -0.060 0.000 0.869 154 G HN 1.084 nan 8.290 nan 0.000 0.516 155 A N 0.260 123.161 122.820 0.135 0.000 2.449 155 A HA 0.984 5.305 4.320 0.001 0.000 0.302 155 A C -0.997 176.950 177.584 0.606 0.000 1.048 155 A CA -0.768 51.399 52.037 0.217 0.000 0.708 155 A CB 1.291 20.310 19.000 0.032 0.000 1.274 155 A HN 2.046 nan 8.150 nan 0.000 0.410 156 F N 0.181 120.444 119.950 0.521 0.000 2.662 156 F HA 0.828 5.356 4.527 0.002 0.000 0.312 156 F C -0.375 175.654 175.800 0.382 0.000 1.113 156 F CA -0.703 57.653 58.000 0.593 0.000 0.951 156 F CB 1.296 40.573 39.000 0.461 0.000 1.344 156 F HN 0.690 nan 8.300 nan 0.000 0.462 157 V N -0.540 119.371 119.914 -0.005 0.000 5.313 157 V HA 0.427 4.548 4.120 0.001 0.000 0.120 157 V C -1.666 174.439 176.094 0.018 0.000 1.155 157 V CA 0.871 62.997 62.300 -0.289 0.000 1.083 157 V CB 1.024 32.510 31.823 -0.562 0.000 1.455 157 V HN 0.988 nan 8.190 nan 0.000 0.640 158 D N -0.387 120.031 120.400 0.031 0.000 2.694 158 D HA 0.263 4.904 4.640 0.001 0.000 0.260 158 D C -1.455 174.940 176.300 0.159 0.000 1.250 158 D CA -0.516 53.571 54.000 0.146 0.000 0.763 158 D CB 1.851 42.699 40.800 0.079 0.000 1.311 158 D HN 0.273 nan 8.370 nan 0.000 0.420 159 K N 2.147 122.673 120.400 0.209 0.000 2.405 159 K HA 0.087 4.408 4.320 0.001 0.000 0.276 159 K C -1.867 174.848 176.600 0.191 0.000 1.099 159 K CA -0.572 55.822 56.287 0.178 0.000 1.120 159 K CB 0.177 32.775 32.500 0.163 0.000 0.877 159 K HN 0.123 nan 8.250 nan 0.000 0.472 160 P HA -0.000 nan 4.420 nan 0.000 0.252 160 P C -0.677 176.673 177.300 0.084 0.000 1.694 160 P CA 0.254 63.406 63.100 0.087 0.000 1.163 160 P CB 0.318 32.057 31.700 0.066 0.000 1.934 161 V N 1.620 121.602 119.914 0.114 0.000 3.258 161 V HA 0.228 4.349 4.120 0.001 0.000 0.299 161 V C 1.457 177.550 176.094 -0.000 0.000 1.376 161 V CA 0.214 62.550 62.300 0.060 0.000 1.063 161 V CB 1.758 33.621 31.823 0.067 0.000 1.103 161 V HN 0.465 nan 8.190 nan 0.000 0.451 162 S N 3.061 118.726 115.700 -0.058 0.000 1.790 162 S HA -0.224 4.247 4.470 0.001 0.000 0.533 162 S C -0.657 173.825 174.600 -0.196 0.000 0.917 162 S CA 2.246 60.375 58.200 -0.118 0.000 3.349 162 S CB -2.430 60.697 63.200 -0.122 0.000 2.333 162 S HN 0.862 nan 8.310 nan 0.000 0.568 163 P HA -0.052 nan 4.420 nan 0.000 0.228 163 P C 0.925 178.025 177.300 -0.334 0.000 1.151 163 P CA 1.426 64.299 63.100 -0.378 0.000 0.770 163 P CB -0.312 31.117 31.700 -0.452 0.000 0.786 164 Y N -0.926 119.369 120.300 -0.008 0.000 2.301 164 Y HA 0.182 4.733 4.550 0.001 0.000 0.295 164 Y C 2.088 177.964 175.900 -0.040 0.000 1.126 164 Y CA -0.455 57.660 58.100 0.024 0.000 1.154 164 Y CB -0.393 38.145 38.460 0.130 0.000 1.075 164 Y HN -0.149 nan 8.280 nan 0.000 0.534 165 M N -0.165 119.499 119.600 0.106 0.000 2.226 165 M HA 0.025 4.506 4.480 0.001 0.000 0.324 165 M C -0.841 175.439 176.300 -0.034 0.000 1.112 165 M CA -0.306 55.027 55.300 0.055 0.000 1.176 165 M CB 0.441 33.081 32.600 0.067 0.000 1.430 165 M HN 0.215 nan 8.290 nan 0.000 0.462 166 Y N 4.999 125.306 120.300 0.012 0.000 2.758 166 Y HA 0.042 4.593 4.550 0.001 0.000 0.351 166 Y C 0.661 176.536 175.900 -0.042 0.000 1.214 166 Y CA 0.343 58.435 58.100 -0.012 0.000 1.983 166 Y CB -1.382 37.066 38.460 -0.021 0.000 2.062 166 Y HN 0.737 nan 8.280 nan 0.000 0.416 167 I N -0.191 120.382 120.570 0.004 0.000 4.838 167 I HA -0.556 3.614 4.170 0.001 0.000 0.045 167 I C 1.339 177.458 176.117 0.003 0.000 0.634 167 I CA 2.127 63.419 61.300 -0.012 0.000 0.405 167 I CB -1.630 36.357 38.000 -0.021 0.000 0.432 167 I HN 0.408 nan 8.210 nan 0.000 0.155 168 S N -1.174 114.528 115.700 0.003 0.000 4.553 168 S HA 0.198 4.669 4.470 0.001 0.000 0.049 168 S C -1.785 172.795 174.600 -0.033 0.000 0.861 168 S CA -0.094 58.095 58.200 -0.018 0.000 0.875 168 S CB -0.871 62.320 63.200 -0.015 0.000 0.541 168 S HN 0.282 nan 8.310 nan 0.000 0.788 169 P HA 0.077 nan 4.420 nan 0.000 0.203 169 P C -2.177 175.076 177.300 -0.077 0.000 0.968 169 P CA 0.923 63.994 63.100 -0.048 0.000 0.904 169 P CB -0.726 30.942 31.700 -0.054 0.000 0.646 170 P HA 0.067 nan 4.420 nan 0.000 0.278 170 P C 0.478 177.716 177.300 -0.104 0.000 1.258 170 P CA -0.179 62.862 63.100 -0.097 0.000 0.811 170 P CB 0.940 32.580 31.700 -0.099 0.000 1.063 171 E N 1.211 121.374 120.200 -0.062 0.000 2.265 171 E HA -0.133 4.218 4.350 0.001 0.000 0.196 171 E C 1.252 177.812 176.600 -0.067 0.000 0.996 171 E CA 0.627 56.996 56.400 -0.051 0.000 0.832 171 E CB -0.280 29.404 29.700 -0.027 0.000 0.756 171 E HN 0.495 nan 8.360 nan 0.000 0.491 172 A N 0.752 123.525 122.820 -0.079 0.000 2.215 172 A HA 0.017 4.338 4.320 0.001 0.000 0.208 172 A C 1.547 179.036 177.584 -0.158 0.000 1.296 172 A CA 0.326 52.319 52.037 -0.074 0.000 0.918 172 A CB -0.286 18.694 19.000 -0.033 0.000 0.806 172 A HN 0.351 nan 8.150 nan 0.000 0.490 173 L N -2.756 118.345 121.223 -0.203 0.000 2.854 173 L HA 0.179 4.520 4.340 0.001 0.000 0.249 173 L C 1.421 178.219 176.870 -0.120 0.000 1.091 173 L CA 0.214 54.881 54.840 -0.288 0.000 0.935 173 L CB 0.371 42.147 42.059 -0.471 0.000 1.367 173 L HN 0.205 nan 8.230 nan 0.000 0.524 174 E N 0.607 120.769 120.200 -0.063 0.000 2.515 174 E HA -0.061 4.290 4.350 0.001 0.000 0.201 174 E C 1.087 177.693 176.600 0.009 0.000 1.071 174 E CA 0.583 56.977 56.400 -0.010 0.000 0.880 174 E CB -0.018 29.681 29.700 -0.001 0.000 0.828 174 E HN 0.465 nan 8.360 nan 0.000 0.540 175 N N -1.006 117.691 118.700 -0.005 0.000 2.419 175 N HA 0.130 4.871 4.740 0.001 0.000 0.216 175 N C -2.201 173.325 175.510 0.027 0.000 1.118 175 N CA 0.102 53.164 53.050 0.021 0.000 0.850 175 N CB 1.188 39.686 38.487 0.018 0.000 1.292 175 N HN 0.194 nan 8.380 nan 0.000 0.467 176 P HA 0.371 nan 4.420 nan 0.000 0.344 176 P C -1.046 176.268 177.300 0.022 0.000 1.011 176 P CA -0.053 63.065 63.100 0.030 0.000 0.801 176 P CB 1.859 33.588 31.700 0.049 0.000 1.311 177 c N 0.863 119.487 118.600 0.041 0.000 2.641 177 c HA 0.225 4.796 4.570 0.001 0.000 0.294 177 c C 1.897 176.000 174.090 0.022 0.000 1.496 177 c CA -0.240 56.082 56.329 -0.011 0.000 1.672 177 c CB -2.738 39.727 42.510 -0.075 0.000 2.763 177 c HN 0.535 nan 8.230 nan 0.000 0.545 178 Y N 0.976 121.174 120.300 -0.170 0.000 2.030 178 Y HA -0.269 4.282 4.550 0.001 0.000 0.272 178 Y C 1.650 177.474 175.900 -0.126 0.000 1.185 178 Y CA 1.816 59.838 58.100 -0.129 0.000 1.120 178 Y CB -1.262 37.128 38.460 -0.117 0.000 0.955 178 Y HN 0.334 nan 8.280 nan 0.000 0.495 179 D N 1.588 121.246 120.400 -1.236 0.000 2.242 179 D HA -0.207 4.434 4.640 0.001 0.000 0.193 179 D C 1.422 177.474 176.300 -0.413 0.000 1.005 179 D CA 2.129 55.604 54.000 -0.876 0.000 0.856 179 D CB -0.641 39.686 40.800 -0.788 0.000 1.001 179 D HN 0.551 nan 8.370 nan 0.000 0.452 180 M N 0.635 120.029 119.600 -0.344 0.000 2.239 180 M HA 0.115 4.596 4.480 0.001 0.000 0.348 180 M C 1.000 177.195 176.300 -0.174 0.000 1.239 180 M CA 0.152 55.315 55.300 -0.228 0.000 1.114 180 M CB 1.289 33.732 32.600 -0.261 0.000 1.641 180 M HN -0.154 nan 8.290 nan 0.000 0.453 181 K N 1.920 122.253 120.400 -0.111 0.000 2.280 181 K HA -0.025 4.296 4.320 0.001 0.000 0.202 181 K C -0.078 176.503 176.600 -0.032 0.000 1.047 181 K CA 0.934 57.182 56.287 -0.065 0.000 0.942 181 K CB -0.048 32.426 32.500 -0.043 0.000 0.739 181 K HN 0.867 nan 8.250 nan 0.000 0.457 182 T N 3.154 117.692 114.554 -0.026 0.000 2.972 182 T HA -0.039 4.312 4.350 0.001 0.000 0.245 182 T C 0.140 174.870 174.700 0.051 0.000 0.977 182 T CA 0.345 62.467 62.100 0.036 0.000 1.266 182 T CB -0.419 68.518 68.868 0.115 0.000 0.985 182 T HN 0.352 nan 8.240 nan 0.000 0.605 183 T N 0.727 115.309 114.554 0.047 0.000 2.937 183 T HA 0.337 4.688 4.350 0.001 0.000 0.316 183 T C 0.780 175.535 174.700 0.092 0.000 1.079 183 T CA -0.908 61.227 62.100 0.057 0.000 1.131 183 T CB 0.054 68.950 68.868 0.048 0.000 1.000 183 T HN 0.858 nan 8.240 nan 0.000 0.549 184 c N 1.898 120.555 118.600 0.095 0.000 3.321 184 c HA 0.794 5.364 4.570 0.001 0.000 0.363 184 c C -0.120 174.037 174.090 0.113 0.000 1.705 184 c CA -1.428 54.975 56.329 0.124 0.000 1.298 184 c CB 0.144 42.754 42.510 0.167 0.000 2.086 184 c HN 0.983 nan 8.230 nan 0.000 0.438 185 L N 2.677 123.986 121.223 0.143 0.000 2.439 185 L HA 0.463 4.804 4.340 0.001 0.000 0.261 185 L C -1.363 175.598 176.870 0.152 0.000 1.153 185 L CA -1.253 53.684 54.840 0.162 0.000 0.808 185 L CB 1.090 43.288 42.059 0.233 0.000 1.126 185 L HN 0.647 nan 8.230 nan 0.000 0.460 186 P HA 0.025 nan 4.420 nan 0.000 0.312 186 P C -0.794 176.564 177.300 0.096 0.000 1.307 186 P CA -0.501 62.667 63.100 0.115 0.000 0.738 186 P CB 0.509 32.277 31.700 0.114 0.000 1.422 187 M N 0.044 119.676 119.600 0.052 0.000 2.216 187 M HA 0.289 4.770 4.480 0.001 0.000 0.356 187 M C 0.200 176.508 176.300 0.013 0.000 1.205 187 M CA 0.022 55.289 55.300 -0.055 0.000 1.122 187 M CB -0.125 32.471 32.600 -0.006 0.000 1.571 187 M HN 0.366 nan 8.290 nan 0.000 0.464 188 F N 1.085 121.047 119.950 0.019 0.000 2.577 188 F HA 0.671 5.199 4.527 0.001 0.000 0.282 188 F C 1.214 177.020 175.800 0.010 0.000 0.957 188 F CA 0.204 58.167 58.000 -0.062 0.000 1.168 188 F CB -0.491 38.397 39.000 -0.187 0.000 0.958 188 F HN 0.645 nan 8.300 nan 0.000 0.702 189 G N 1.079 109.960 108.800 0.136 0.000 4.890 189 G HA2 -0.321 3.640 3.960 0.001 0.000 0.221 189 G HA3 -0.321 3.640 3.960 0.001 0.000 0.221 189 G C -0.592 174.711 174.900 0.671 0.000 1.472 189 G CA 0.469 45.774 45.100 0.343 0.000 0.962 189 G HN 0.776 nan 8.290 nan 0.000 0.671 190 Y N 2.290 122.884 120.300 0.490 0.000 2.301 190 Y HA 0.672 5.222 4.550 0.001 0.000 0.325 190 Y C -0.496 175.596 175.900 0.319 0.000 1.103 190 Y CA -0.877 57.498 58.100 0.459 0.000 1.182 190 Y CB 0.996 39.711 38.460 0.424 0.000 1.139 190 Y HN 0.501 nan 8.280 nan 0.000 0.443 191 K N 4.016 124.226 120.400 -0.318 0.000 2.207 191 K HA 0.423 4.744 4.320 0.001 0.000 0.255 191 K C -1.718 174.633 176.600 -0.414 0.000 0.941 191 K CA -0.860 55.229 56.287 -0.330 0.000 0.825 191 K CB 0.868 33.135 32.500 -0.389 0.000 1.119 191 K HN 0.741 nan 8.250 nan 0.000 0.430 192 H N 3.285 122.165 119.070 -0.318 0.000 2.638 192 H HA 0.355 4.911 4.556 0.001 0.000 0.303 192 H C -1.877 173.457 175.328 0.009 0.000 1.034 192 H CA -0.576 55.404 56.048 -0.115 0.000 1.225 192 H CB 0.902 30.655 29.762 -0.015 0.000 1.394 192 H HN 0.245 nan 8.280 nan 0.000 0.477 193 V N 7.415 127.254 119.914 -0.125 0.000 2.448 193 V HA 0.546 4.667 4.120 0.001 0.000 0.295 193 V C -0.968 175.039 176.094 -0.144 0.000 1.025 193 V CA -0.825 61.359 62.300 -0.193 0.000 0.859 193 V CB 0.756 32.558 31.823 -0.035 0.000 0.988 193 V HN 0.982 nan 8.190 nan 0.000 0.431 194 L N 5.762 126.839 121.223 -0.242 0.000 2.443 194 L HA -0.085 4.255 4.340 0.001 0.000 0.645 194 L C 0.130 177.076 176.870 0.127 0.000 1.007 194 L CA 1.561 56.356 54.840 -0.075 0.000 1.350 194 L CB -1.087 40.937 42.059 -0.059 0.000 2.011 194 L HN 1.251 nan 8.230 nan 0.000 0.954 195 T N 2.861 117.498 114.554 0.139 0.000 2.788 195 T HA 0.545 4.896 4.350 0.001 0.000 0.287 195 T C 0.742 175.540 174.700 0.163 0.000 1.007 195 T CA -0.544 61.746 62.100 0.316 0.000 1.005 195 T CB 0.714 69.720 68.868 0.231 0.000 1.012 195 T HN 0.655 nan 8.240 nan 0.000 0.530 196 L N 2.131 123.409 121.223 0.091 0.000 2.562 196 L HA 0.294 4.635 4.340 0.001 0.000 0.271 196 L C 1.018 177.902 176.870 0.023 0.000 1.167 196 L CA 0.188 55.045 54.840 0.029 0.000 0.917 196 L CB 0.033 42.034 42.059 -0.096 0.000 1.187 196 L HN 0.875 nan 8.230 nan 0.000 0.482 197 T N 0.285 114.863 114.554 0.040 0.000 2.831 197 T HA 0.258 4.609 4.350 0.001 0.000 0.287 197 T C 0.321 175.032 174.700 0.018 0.000 1.070 197 T CA -0.540 61.575 62.100 0.024 0.000 1.010 197 T CB 1.470 70.353 68.868 0.025 0.000 1.264 197 T HN 0.597 nan 8.240 nan 0.000 0.532 198 D N 0.435 120.840 120.400 0.008 0.000 2.137 198 D HA 0.011 4.652 4.640 0.001 0.000 0.202 198 D C 0.693 176.991 176.300 -0.003 0.000 0.970 198 D CA 0.656 54.656 54.000 -0.001 0.000 0.837 198 D CB -0.002 40.796 40.800 -0.002 0.000 0.981 198 D HN 0.351 nan 8.370 nan 0.000 0.475 199 Q N 1.777 121.579 119.800 0.003 0.000 2.737 199 Q HA -0.015 4.326 4.340 0.001 0.000 0.224 199 Q C 1.344 177.352 176.000 0.013 0.000 1.325 199 Q CA 0.039 55.843 55.803 0.002 0.000 0.868 199 Q CB -0.514 28.226 28.738 0.002 0.000 1.711 199 Q HN 0.354 nan 8.270 nan 0.000 0.540 200 V N -1.142 118.765 119.914 -0.012 0.000 3.140 200 V HA -0.206 3.915 4.120 0.001 0.000 0.269 200 V C 1.393 177.480 176.094 -0.012 0.000 1.149 200 V CA 1.837 64.115 62.300 -0.036 0.000 1.162 200 V CB -0.916 30.852 31.823 -0.091 0.000 0.756 200 V HN 0.366 nan 8.190 nan 0.000 0.523 201 T N 0.017 114.570 114.554 -0.002 0.000 2.983 201 T HA 0.026 4.377 4.350 0.001 0.000 0.250 201 T C 1.891 176.600 174.700 0.015 0.000 1.037 201 T CA 1.005 63.103 62.100 -0.004 0.000 1.142 201 T CB -0.216 68.638 68.868 -0.023 0.000 0.876 201 T HN 0.475 nan 8.240 nan 0.000 0.455 202 R N 0.193 120.702 120.500 0.015 0.000 2.303 202 R HA -0.023 4.318 4.340 0.001 0.000 0.225 202 R C 1.930 178.228 176.300 -0.003 0.000 1.114 202 R CA 0.768 56.865 56.100 -0.006 0.000 1.007 202 R CB -0.387 29.908 30.300 -0.008 0.000 0.861 202 R HN 0.431 nan 8.270 nan 0.000 0.471 203 F N 1.186 121.061 119.950 -0.125 0.000 2.128 203 F HA -0.109 4.419 4.527 0.001 0.000 0.295 203 F C 1.349 177.011 175.800 -0.231 0.000 1.100 203 F CA 1.638 59.536 58.000 -0.170 0.000 1.260 203 F CB -0.144 38.770 39.000 -0.145 0.000 1.009 203 F HN 0.069 nan 8.300 nan 0.000 0.476 204 N N 0.537 119.308 118.700 0.119 0.000 2.348 204 N HA -0.172 4.569 4.740 0.001 0.000 0.185 204 N C 1.493 176.911 175.510 -0.152 0.000 1.019 204 N CA 1.231 54.267 53.050 -0.023 0.000 0.880 204 N CB -0.365 38.109 38.487 -0.021 0.000 0.965 204 N HN 0.371 nan 8.380 nan 0.000 0.437 205 E N 1.101 121.212 120.200 -0.148 0.000 1.998 205 E HA -0.086 4.264 4.350 0.001 0.000 0.195 205 E C 1.649 178.111 176.600 -0.230 0.000 0.994 205 E CA 0.986 57.291 56.400 -0.157 0.000 0.835 205 E CB -0.199 29.431 29.700 -0.117 0.000 0.786 205 E HN 0.166 nan 8.360 nan 0.000 0.467 206 E N 0.249 120.278 120.200 -0.286 0.000 2.108 206 E HA -0.215 4.135 4.350 0.001 0.000 0.203 206 E C 2.296 178.625 176.600 -0.451 0.000 1.022 206 E CA 1.422 57.616 56.400 -0.344 0.000 0.823 206 E CB -0.860 28.599 29.700 -0.402 0.000 0.744 206 E HN 0.173 nan 8.360 nan 0.000 0.456 207 V N 1.617 121.123 119.914 -0.680 0.000 2.295 207 V HA -0.245 3.876 4.120 0.001 0.000 0.246 207 V C 2.572 178.456 176.094 -0.350 0.000 1.049 207 V CA 2.022 63.891 62.300 -0.720 0.000 1.024 207 V CB -0.490 30.781 31.823 -0.920 0.000 0.648 207 V HN 0.253 nan 8.190 nan 0.000 0.447 208 K N 0.151 120.394 120.400 -0.262 0.000 2.209 208 K HA -0.188 4.132 4.320 0.001 0.000 0.204 208 K C 1.884 178.421 176.600 -0.106 0.000 1.048 208 K CA 1.363 57.559 56.287 -0.152 0.000 0.940 208 K CB -0.047 32.371 32.500 -0.136 0.000 0.729 208 K HN 0.430 nan 8.250 nan 0.000 0.451 209 K N 0.312 120.629 120.400 -0.138 0.000 2.487 209 K HA 0.029 4.349 4.320 0.001 0.000 0.192 209 K C 0.146 176.699 176.600 -0.078 0.000 1.027 209 K CA 0.086 56.316 56.287 -0.095 0.000 1.054 209 K CB 0.361 32.798 32.500 -0.106 0.000 0.824 209 K HN 0.057 nan 8.250 nan 0.000 0.510 210 Q N 0.831 120.573 119.800 -0.098 0.000 2.288 210 Q HA 0.166 4.507 4.340 0.001 0.000 0.254 210 Q C -0.445 175.570 176.000 0.025 0.000 0.932 210 Q CA 0.143 55.925 55.803 -0.035 0.000 0.902 210 Q CB 1.840 30.564 28.738 -0.023 0.000 1.203 210 Q HN -0.065 nan 8.270 nan 0.000 0.415 211 S N 1.071 116.806 115.700 0.058 0.000 2.536 211 S HA 0.596 5.067 4.470 0.001 0.000 0.298 211 S C -0.114 174.574 174.600 0.147 0.000 1.083 211 S CA -0.676 57.577 58.200 0.088 0.000 0.995 211 S CB 0.999 64.248 63.200 0.082 0.000 1.058 211 S HN 0.319 nan 8.310 nan 0.000 0.488 212 V N 2.617 122.610 119.914 0.132 0.000 3.546 212 V HA 0.609 4.730 4.120 0.001 0.000 0.296 212 V C 0.863 177.077 176.094 0.200 0.000 1.082 212 V CA -0.231 62.160 62.300 0.151 0.000 1.086 212 V CB 1.316 33.181 31.823 0.069 0.000 1.174 212 V HN 0.888 nan 8.190 nan 0.000 0.464 213 S N -0.540 115.262 115.700 0.170 0.000 2.843 213 S HA 0.738 5.209 4.470 0.001 0.000 0.301 213 S C -1.087 173.583 174.600 0.117 0.000 1.206 213 S CA -0.842 57.431 58.200 0.121 0.000 0.875 213 S CB 1.780 64.975 63.200 -0.008 0.000 1.248 213 S HN 0.881 nan 8.310 nan 0.000 0.555 214 R N 0.843 121.385 120.500 0.070 0.000 2.629 214 R HA 0.455 4.795 4.340 0.001 0.000 0.266 214 R C -1.941 174.448 176.300 0.147 0.000 1.051 214 R CA -0.420 55.742 56.100 0.104 0.000 0.895 214 R CB 1.139 31.485 30.300 0.078 0.000 1.246 214 R HN 0.977 nan 8.270 nan 0.000 0.459 215 N N 1.136 119.938 118.700 0.169 0.000 2.357 215 N HA 0.346 5.087 4.740 0.001 0.000 0.284 215 N C -0.135 175.462 175.510 0.146 0.000 1.236 215 N CA -1.057 52.095 53.050 0.171 0.000 0.774 215 N CB 2.473 40.994 38.487 0.056 0.000 1.534 215 N HN 0.464 nan 8.380 nan 0.000 0.478 216 R N -0.233 120.193 120.500 -0.124 0.000 2.055 216 R HA 0.002 4.343 4.340 0.001 0.000 0.228 216 R C -0.262 176.007 176.300 -0.052 0.000 1.143 216 R CA 0.852 56.797 56.100 -0.259 0.000 0.945 216 R CB -0.290 29.639 30.300 -0.619 0.000 0.841 216 R HN 0.650 nan 8.270 nan 0.000 0.429 217 D N -0.269 120.133 120.400 0.003 0.000 2.455 217 D HA 0.002 4.643 4.640 0.001 0.000 0.241 217 D C 0.623 176.939 176.300 0.027 0.000 1.138 217 D CA 0.280 54.324 54.000 0.074 0.000 0.877 217 D CB 1.596 42.543 40.800 0.245 0.000 1.187 217 D HN 0.263 nan 8.370 nan 0.000 0.451 218 A N 5.557 128.385 122.820 0.014 0.000 1.865 218 A HA -0.048 4.272 4.320 0.001 0.000 0.217 218 A C -1.368 176.169 177.584 -0.078 0.000 1.191 218 A CA 0.759 52.787 52.037 -0.016 0.000 0.623 218 A CB -1.278 17.718 19.000 -0.007 0.000 0.826 218 A HN 0.495 nan 8.150 nan 0.000 0.444 219 P HA 0.212 nan 4.420 nan 0.000 0.276 219 P C -0.321 176.657 177.300 -0.537 0.000 1.235 219 P CA -0.010 62.875 63.100 -0.357 0.000 0.772 219 P CB 0.750 32.153 31.700 -0.494 0.000 0.871 220 E N 1.568 121.580 120.200 -0.313 0.000 2.322 220 E HA 0.380 4.731 4.350 0.001 0.000 0.257 220 E C 0.653 177.150 176.600 -0.170 0.000 1.155 220 E CA -0.760 55.548 56.400 -0.153 0.000 0.936 220 E CB 0.627 30.378 29.700 0.085 0.000 1.130 220 E HN 0.424 nan 8.360 nan 0.000 0.465 221 G N -0.282 108.600 108.800 0.137 0.000 4.190 221 G HA2 0.351 4.312 3.960 0.001 0.000 0.328 221 G HA3 0.351 4.312 3.960 0.001 0.000 0.328 221 G C 0.568 175.721 174.900 0.422 0.000 1.364 221 G CA -0.096 45.185 45.100 0.302 0.000 1.259 221 G HN 0.478 nan 8.290 nan 0.000 0.525 222 G N 0.849 109.806 108.800 0.263 0.000 2.441 222 G HA2 0.001 3.962 3.960 0.001 0.000 0.212 222 G HA3 0.001 3.962 3.960 0.001 0.000 0.212 222 G C 1.344 176.259 174.900 0.024 0.000 1.164 222 G CA 0.172 45.240 45.100 -0.052 0.000 0.811 222 G HN 0.387 nan 8.290 nan 0.000 0.535 223 F N 2.055 121.946 119.950 -0.099 0.000 2.225 223 F HA -0.084 4.444 4.527 0.002 0.000 0.302 223 F C 2.203 177.948 175.800 -0.092 0.000 1.068 223 F CA 0.818 58.735 58.000 -0.138 0.000 1.327 223 F CB -0.549 38.410 39.000 -0.068 0.000 1.043 223 F HN 0.128 nan 8.300 nan 0.000 0.506 224 D N -0.372 120.166 120.400 0.230 0.000 2.117 224 D HA -0.095 4.546 4.640 0.001 0.000 0.198 224 D C 2.335 178.533 176.300 -0.170 0.000 0.982 224 D CA 1.391 55.462 54.000 0.117 0.000 0.828 224 D CB -0.292 40.701 40.800 0.320 0.000 0.967 224 D HN 0.181 nan 8.370 nan 0.000 0.464 225 A N 0.574 123.265 122.820 -0.214 0.000 1.841 225 A HA -0.089 4.232 4.320 0.001 0.000 0.214 225 A C 2.363 179.622 177.584 -0.542 0.000 1.195 225 A CA 0.769 52.425 52.037 -0.635 0.000 0.611 225 A CB -0.862 17.846 19.000 -0.486 0.000 0.835 225 A HN 0.231 nan 8.150 nan 0.000 0.443 226 I N -1.020 119.345 120.570 -0.341 0.000 2.479 226 I HA -0.321 3.850 4.170 0.001 0.000 0.258 226 I C 2.544 178.495 176.117 -0.278 0.000 1.165 226 I CA 1.941 63.072 61.300 -0.283 0.000 1.422 226 I CB -0.174 37.628 38.000 -0.329 0.000 1.087 226 I HN 0.486 nan 8.210 nan 0.000 0.441 227 M N 0.008 119.437 119.600 -0.285 0.000 2.299 227 M HA -0.091 4.390 4.480 0.001 0.000 0.264 227 M C 2.150 178.295 176.300 -0.258 0.000 1.095 227 M CA 1.623 56.774 55.300 -0.248 0.000 1.165 227 M CB -0.267 32.213 32.600 -0.201 0.000 1.349 227 M HN -0.038 nan 8.290 nan 0.000 0.446 228 Q N 0.563 120.146 119.800 -0.362 0.000 2.084 228 Q HA 0.089 4.430 4.340 0.001 0.000 0.202 228 Q C 1.575 177.454 176.000 -0.201 0.000 0.978 228 Q CA 1.648 57.275 55.803 -0.293 0.000 0.844 228 Q CB -1.141 27.388 28.738 -0.348 0.000 0.898 228 Q HN 0.623 nan 8.270 nan 0.000 0.426 229 A N 0.486 123.117 122.820 -0.315 0.000 2.233 229 A HA 0.099 4.420 4.320 0.001 0.000 0.230 229 A C 0.815 178.355 177.584 -0.073 0.000 1.347 229 A CA 0.872 52.736 52.037 -0.287 0.000 1.087 229 A CB -0.309 18.452 19.000 -0.399 0.000 0.871 229 A HN 0.311 nan 8.150 nan 0.000 0.519 230 T N -2.349 112.180 114.554 -0.041 0.000 3.719 230 T HA -0.009 4.342 4.350 0.001 0.000 0.285 230 T C 1.591 176.264 174.700 -0.045 0.000 0.963 230 T CA 0.785 62.855 62.100 -0.050 0.000 1.154 230 T CB -0.593 68.171 68.868 -0.172 0.000 1.123 230 T HN 0.556 nan 8.240 nan 0.000 0.448 231 V N 0.042 119.911 119.914 -0.075 0.000 2.970 231 V HA 0.129 4.250 4.120 0.001 0.000 0.260 231 V C 1.068 177.154 176.094 -0.015 0.000 1.100 231 V CA 0.394 62.657 62.300 -0.061 0.000 1.122 231 V CB -1.214 30.559 31.823 -0.083 0.000 0.721 231 V HN 0.548 nan 8.190 nan 0.000 0.483 232 c N 2.442 121.050 118.600 0.012 0.000 2.379 232 c HA 0.370 4.941 4.570 0.001 0.000 0.476 232 c C 1.588 175.739 174.090 0.102 0.000 1.068 232 c CA -0.769 55.582 56.329 0.037 0.000 1.406 232 c CB -1.730 40.794 42.510 0.024 0.000 1.496 232 c HN 0.538 nan 8.230 nan 0.000 0.551 233 D N 1.131 121.630 120.400 0.165 0.000 2.084 233 D HA -0.179 4.462 4.640 0.001 0.000 0.194 233 D C 1.957 178.345 176.300 0.145 0.000 0.990 233 D CA 1.365 55.552 54.000 0.312 0.000 0.826 233 D CB 0.004 40.962 40.800 0.263 0.000 0.971 233 D HN 0.712 nan 8.370 nan 0.000 0.453 234 E N 0.917 121.173 120.200 0.093 0.000 2.049 234 E HA -0.258 4.092 4.350 0.001 0.000 0.198 234 E C 1.968 178.595 176.600 0.045 0.000 1.007 234 E CA 1.445 57.882 56.400 0.062 0.000 0.809 234 E CB 0.149 29.883 29.700 0.056 0.000 0.749 234 E HN -0.073 nan 8.360 nan 0.000 0.450 235 K N 0.299 120.730 120.400 0.051 0.000 1.985 235 K HA -0.111 4.210 4.320 0.001 0.000 0.210 235 K C 2.003 178.630 176.600 0.044 0.000 1.047 235 K CA 1.428 57.769 56.287 0.090 0.000 0.932 235 K CB -0.269 32.310 32.500 0.132 0.000 0.716 235 K HN 0.191 nan 8.250 nan 0.000 0.439 236 I N 0.123 120.595 120.570 -0.162 0.000 2.335 236 I HA -0.093 4.077 4.170 0.001 0.000 0.251 236 I C 0.911 176.802 176.117 -0.376 0.000 1.129 236 I CA 1.512 62.570 61.300 -0.403 0.000 1.402 236 I CB -1.670 35.855 38.000 -0.791 0.000 1.069 236 I HN 0.468 nan 8.210 nan 0.000 0.424 237 G N 1.191 109.840 108.800 -0.251 0.000 2.531 237 G HA2 -0.247 3.714 3.960 0.001 0.000 0.283 237 G HA3 -0.247 3.714 3.960 0.001 0.000 0.283 237 G C -0.671 174.100 174.900 -0.215 0.000 1.068 237 G CA -0.459 44.551 45.100 -0.151 0.000 1.273 237 G HN 0.375 nan 8.290 nan 0.000 0.532 238 W N 1.355 122.631 121.300 -0.039 0.000 2.335 238 W HA 0.616 5.276 4.660 0.000 0.000 0.307 238 W C 1.148 177.593 176.519 -0.123 0.000 1.117 238 W CA -1.180 56.084 57.345 -0.136 0.000 1.228 238 W CB 0.889 30.318 29.460 -0.052 0.000 1.240 238 W HN 0.349 nan 8.180 nan 0.000 0.468 239 R N 2.270 122.791 120.500 0.035 0.000 2.543 239 R HA 0.042 4.383 4.340 0.001 0.000 0.277 239 R C 1.219 177.587 176.300 0.114 0.000 1.074 239 R CA -0.031 56.094 56.100 0.042 0.000 1.076 239 R CB 0.584 30.883 30.300 -0.001 0.000 0.993 239 R HN 0.663 nan 8.270 nan 0.000 0.459 240 N N 1.399 120.188 118.700 0.148 0.000 2.022 240 N HA -0.134 4.607 4.740 0.001 0.000 0.194 240 N C -0.294 175.342 175.510 0.211 0.000 1.057 240 N CA 0.978 54.139 53.050 0.185 0.000 0.849 240 N CB 0.103 38.667 38.487 0.127 0.000 1.044 240 N HN 0.524 nan 8.380 nan 0.000 0.424 241 D N 1.308 121.807 120.400 0.166 0.000 2.435 241 D HA 0.388 5.028 4.640 0.001 0.000 0.230 241 D C -0.694 175.684 176.300 0.130 0.000 1.215 241 D CA 0.286 54.410 54.000 0.207 0.000 0.947 241 D CB 0.726 41.651 40.800 0.209 0.000 1.048 241 D HN 0.265 nan 8.370 nan 0.000 0.512 242 A N 1.399 124.231 122.820 0.019 0.000 2.583 242 A HA 0.333 4.654 4.320 0.001 0.000 0.292 242 A C -0.813 176.675 177.584 -0.160 0.000 1.045 242 A CA -0.676 51.225 52.037 -0.226 0.000 0.672 242 A CB 1.514 20.454 19.000 -0.100 0.000 1.283 242 A HN 0.156 nan 8.150 nan 0.000 0.419 243 S N 0.912 116.463 115.700 -0.248 0.000 2.592 243 S HA 0.461 4.932 4.470 0.001 0.000 0.305 243 S C -0.512 174.226 174.600 0.230 0.000 1.118 243 S CA -0.406 57.797 58.200 0.005 0.000 1.075 243 S CB -0.826 62.360 63.200 -0.024 0.000 1.107 243 S HN 0.598 nan 8.310 nan 0.000 0.503 244 H N 3.044 122.128 119.070 0.024 0.000 2.886 244 H HA 0.404 4.960 4.556 0.001 0.000 0.329 244 H C -0.323 175.060 175.328 0.092 0.000 1.044 244 H CA -0.109 55.988 56.048 0.081 0.000 1.456 244 H CB 0.082 29.608 29.762 -0.393 0.000 1.464 244 H HN 0.337 nan 8.280 nan 0.000 0.573 245 L N 2.957 124.426 121.223 0.411 0.000 2.388 245 L HA 0.403 4.744 4.340 0.001 0.000 0.264 245 L C -1.105 176.017 176.870 0.421 0.000 0.998 245 L CA -0.618 54.405 54.840 0.304 0.000 0.817 245 L CB 2.159 44.386 42.059 0.279 0.000 1.338 245 L HN 0.516 nan 8.230 nan 0.000 0.414 246 L N 3.526 124.918 121.223 0.281 0.000 2.485 246 L HA 0.575 4.916 4.340 0.001 0.000 0.260 246 L C -1.209 175.797 176.870 0.228 0.000 0.998 246 L CA -0.286 54.748 54.840 0.323 0.000 0.883 246 L CB 1.620 43.812 42.059 0.222 0.000 1.196 246 L HN 0.282 nan 8.230 nan 0.000 0.443 247 V N 4.374 124.419 119.914 0.218 0.000 2.455 247 V HA 0.246 4.367 4.120 0.001 0.000 0.273 247 V C -0.231 175.931 176.094 0.114 0.000 1.045 247 V CA -0.147 62.228 62.300 0.126 0.000 0.976 247 V CB 0.762 32.608 31.823 0.039 0.000 0.993 247 V HN 0.603 nan 8.190 nan 0.000 0.475 248 F N 5.444 125.419 119.950 0.041 0.000 2.347 248 F HA 0.557 5.085 4.527 0.002 0.000 0.366 248 F C 0.589 176.398 175.800 0.014 0.000 1.107 248 F CA -0.483 57.554 58.000 0.062 0.000 1.058 248 F CB 1.054 40.208 39.000 0.257 0.000 1.236 248 F HN 0.597 nan 8.300 nan 0.000 0.456 249 T N 2.163 116.445 114.554 -0.453 0.000 2.795 249 T HA 0.687 5.038 4.350 0.001 0.000 0.282 249 T C -0.188 174.235 174.700 -0.461 0.000 0.980 249 T CA -0.647 61.235 62.100 -0.364 0.000 1.012 249 T CB 1.724 70.479 68.868 -0.189 0.000 0.936 249 T HN 0.686 nan 8.240 nan 0.000 0.457 250 T N 0.710 115.043 114.554 -0.369 0.000 2.775 250 T HA 0.425 4.776 4.350 0.001 0.000 0.320 250 T C -1.090 173.527 174.700 -0.138 0.000 1.597 250 T CA -0.446 61.499 62.100 -0.258 0.000 1.022 250 T CB 1.478 70.166 68.868 -0.300 0.000 1.485 250 T HN 0.721 nan 8.240 nan 0.000 0.494 251 D N 0.229 120.595 120.400 -0.057 0.000 2.500 251 D HA 0.545 5.186 4.640 0.001 0.000 0.218 251 D C 0.437 176.758 176.300 0.035 0.000 1.140 251 D CA 0.052 54.049 54.000 -0.005 0.000 0.830 251 D CB 0.566 41.365 40.800 -0.002 0.000 1.055 251 D HN 0.629 nan 8.370 nan 0.000 0.512 252 A N 0.204 123.054 122.820 0.050 0.000 2.344 252 A HA 0.611 4.932 4.320 0.001 0.000 0.307 252 A C 0.252 177.901 177.584 0.109 0.000 1.151 252 A CA -0.829 51.241 52.037 0.054 0.000 0.842 252 A CB 1.523 20.527 19.000 0.007 0.000 1.350 252 A HN -0.053 nan 8.150 nan 0.000 0.459 253 K N -0.673 119.735 120.400 0.013 0.000 2.633 253 K HA 0.405 4.725 4.320 0.001 0.000 0.283 253 K C 0.051 176.596 176.600 -0.091 0.000 1.081 253 K CA 0.693 56.940 56.287 -0.066 0.000 0.923 253 K CB 0.005 32.436 32.500 -0.115 0.000 1.110 253 K HN 0.702 nan 8.250 nan 0.000 0.480 254 T N -0.506 113.910 114.554 -0.230 0.000 2.886 254 T HA 0.149 4.500 4.350 0.001 0.000 0.330 254 T C -1.812 172.596 174.700 -0.487 0.000 1.488 254 T CA -0.857 61.015 62.100 -0.381 0.000 1.054 254 T CB 0.661 69.274 68.868 -0.424 0.000 1.348 254 T HN 0.416 nan 8.240 nan 0.000 0.489 255 H N 3.581 122.291 119.070 -0.600 0.000 2.690 255 H HA 0.481 5.037 4.556 0.001 0.000 0.314 255 H C 0.733 175.583 175.328 -0.798 0.000 1.069 255 H CA -0.431 55.118 56.048 -0.832 0.000 1.436 255 H CB 0.370 29.203 29.762 -1.548 0.000 1.462 255 H HN 0.662 nan 8.280 nan 0.000 0.511 256 I N -0.225 120.143 120.570 -0.337 0.000 3.514 256 I HA 0.687 4.857 4.170 0.001 0.000 0.300 256 I C 0.395 176.527 176.117 0.026 0.000 1.194 256 I CA -1.406 59.822 61.300 -0.120 0.000 0.968 256 I CB 0.867 38.838 38.000 -0.049 0.000 1.418 256 I HN 0.434 nan 8.210 nan 0.000 0.614 257 A N 1.667 124.569 122.820 0.137 0.000 2.445 257 A HA 0.472 4.793 4.320 0.001 0.000 0.242 257 A C 0.742 178.398 177.584 0.120 0.000 1.075 257 A CA -0.091 52.052 52.037 0.175 0.000 0.777 257 A CB -0.015 19.061 19.000 0.127 0.000 1.013 257 A HN 1.065 nan 8.150 nan 0.000 0.493 258 L N -0.615 120.692 121.223 0.140 0.000 4.342 258 L HA -0.276 4.065 4.340 0.001 0.000 0.395 258 L C 1.006 177.932 176.870 0.093 0.000 0.764 258 L CA 1.091 55.989 54.840 0.096 0.000 2.417 258 L CB -1.480 40.615 42.059 0.060 0.000 1.210 258 L HN 0.719 nan 8.230 nan 0.000 0.626 259 D N 0.722 121.174 120.400 0.086 0.000 2.178 259 D HA -0.050 4.591 4.640 0.001 0.000 0.201 259 D C 1.932 178.321 176.300 0.149 0.000 0.980 259 D CA 1.574 55.581 54.000 0.012 0.000 0.842 259 D CB -0.184 40.468 40.800 -0.248 0.000 0.948 259 D HN 0.569 nan 8.370 nan 0.000 0.472 260 G N 0.272 109.260 108.800 0.314 0.000 2.708 260 G HA2 -0.232 3.729 3.960 0.001 0.000 0.210 260 G HA3 -0.232 3.729 3.960 0.001 0.000 0.210 260 G C 1.561 176.559 174.900 0.164 0.000 1.141 260 G CA 0.169 45.475 45.100 0.343 0.000 0.788 260 G HN 0.195 nan 8.290 nan 0.000 0.531 261 R N 0.018 120.582 120.500 0.106 0.000 2.075 261 R HA 0.060 4.401 4.340 0.001 0.000 0.232 261 R C 2.338 178.649 176.300 0.019 0.000 1.126 261 R CA 0.761 56.891 56.100 0.049 0.000 0.963 261 R CB -0.337 29.984 30.300 0.035 0.000 0.858 261 R HN 0.353 nan 8.270 nan 0.000 0.435 262 L N 0.348 121.579 121.223 0.013 0.000 1.997 262 L HA -0.186 4.155 4.340 0.001 0.000 0.216 262 L C 2.480 179.288 176.870 -0.103 0.000 1.074 262 L CA 1.758 56.567 54.840 -0.052 0.000 0.763 262 L CB -1.074 40.935 42.059 -0.084 0.000 0.890 262 L HN 0.343 nan 8.230 nan 0.000 0.434 263 A N -0.225 122.516 122.820 -0.133 0.000 2.259 263 A HA 0.130 4.451 4.320 0.001 0.000 0.212 263 A C 1.741 179.284 177.584 -0.069 0.000 1.178 263 A CA 1.053 52.989 52.037 -0.168 0.000 0.734 263 A CB -0.860 18.052 19.000 -0.147 0.000 0.774 263 A HN 0.740 nan 8.150 nan 0.000 0.481 264 G N -1.415 107.362 108.800 -0.038 0.000 2.132 264 G HA2 -0.206 3.755 3.960 0.001 0.000 0.234 264 G HA3 -0.206 3.755 3.960 0.001 0.000 0.234 264 G C -0.003 174.889 174.900 -0.013 0.000 0.989 264 G CA 0.174 45.258 45.100 -0.026 0.000 0.676 264 G HN 0.527 nan 8.290 nan 0.000 0.522 265 I N 1.426 121.997 120.570 0.002 0.000 2.307 265 I HA 0.344 4.515 4.170 0.001 0.000 0.289 265 I C 1.474 177.595 176.117 0.007 0.000 1.021 265 I CA -0.625 60.673 61.300 -0.003 0.000 1.224 265 I CB 1.525 39.518 38.000 -0.011 0.000 1.376 265 I HN 0.073 nan 8.210 nan 0.000 0.470 266 V N 1.656 121.570 119.914 -0.000 0.000 3.605 266 V HA 0.170 4.290 4.120 0.001 0.000 0.284 266 V C 0.649 176.746 176.094 0.005 0.000 1.386 266 V CA -0.170 62.134 62.300 0.007 0.000 1.053 266 V CB -0.255 31.571 31.823 0.005 0.000 0.857 266 V HN 0.792 nan 8.190 nan 0.000 0.436 267 Q N 3.300 123.098 119.800 -0.004 0.000 2.295 267 Q HA 0.364 4.705 4.340 0.001 0.000 0.259 267 Q C -2.486 173.515 176.000 0.001 0.000 0.976 267 Q CA -2.020 53.781 55.803 -0.004 0.000 0.923 267 Q CB 1.715 30.442 28.738 -0.017 0.000 1.185 267 Q HN 0.375 nan 8.270 nan 0.000 0.410 268 P HA 0.035 nan 4.420 nan 0.000 0.277 268 P C -0.947 176.372 177.300 0.031 0.000 1.240 268 P CA -0.258 62.858 63.100 0.026 0.000 0.798 268 P CB 0.662 32.379 31.700 0.028 0.000 0.979 269 N N 1.241 119.968 118.700 0.044 0.000 2.359 269 N HA -0.109 4.631 4.740 0.001 0.000 0.261 269 N C 0.981 176.528 175.510 0.062 0.000 1.267 269 N CA -0.031 53.057 53.050 0.063 0.000 0.864 269 N CB 0.318 38.846 38.487 0.068 0.000 1.063 269 N HN 0.344 nan 8.380 nan 0.000 0.474 270 D N 2.559 123.017 120.400 0.096 0.000 2.289 270 D HA 0.073 4.713 4.640 0.001 0.000 0.207 270 D C 1.303 177.647 176.300 0.074 0.000 0.966 270 D CA 0.838 54.895 54.000 0.096 0.000 0.868 270 D CB -0.182 40.708 40.800 0.150 0.000 0.943 270 D HN 0.707 nan 8.370 nan 0.000 0.514 271 G N -0.375 108.474 108.800 0.082 0.000 2.175 271 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 271 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 271 G C 0.157 175.061 174.900 0.007 0.000 0.982 271 G CA 0.190 45.303 45.100 0.023 0.000 0.641 271 G HN 0.466 nan 8.290 nan 0.000 0.527 272 Q N -0.845 118.982 119.800 0.044 0.000 2.237 272 Q HA 0.521 4.862 4.340 0.001 0.000 0.219 272 Q C 0.630 176.506 176.000 -0.208 0.000 0.999 272 Q CA -0.125 55.620 55.803 -0.097 0.000 0.959 272 Q CB 1.443 30.090 28.738 -0.152 0.000 1.173 272 Q HN 0.480 nan 8.270 nan 0.000 0.527 273 c N 1.991 120.427 118.600 -0.274 0.000 2.394 273 c HA 0.203 4.774 4.570 0.001 0.000 0.362 273 c C -0.586 173.286 174.090 -0.364 0.000 1.268 273 c CA -0.240 55.966 56.329 -0.205 0.000 1.828 273 c CB -1.059 41.393 42.510 -0.096 0.000 2.442 273 c HN 0.628 nan 8.230 nan 0.000 0.549 274 H N 5.727 124.873 119.070 0.126 0.000 2.541 274 H HA 0.476 5.033 4.556 0.002 0.000 0.246 274 H C -0.257 175.264 175.328 0.321 0.000 1.341 274 H CA 0.044 56.241 56.048 0.249 0.000 1.469 274 H CB 0.915 30.936 29.762 0.431 0.000 1.472 274 H HN 0.722 nan 8.280 nan 0.000 0.503 275 V N -0.576 119.511 119.914 0.288 0.000 3.114 275 V HA 0.960 5.081 4.120 0.001 0.000 0.308 275 V C 0.214 176.418 176.094 0.184 0.000 1.168 275 V CA -0.959 61.502 62.300 0.268 0.000 1.015 275 V CB 2.017 33.982 31.823 0.236 0.000 1.050 275 V HN 0.554 nan 8.190 nan 0.000 0.433 276 G N 0.514 109.409 108.800 0.158 0.000 3.016 276 G HA2 0.547 4.508 3.960 0.001 0.000 0.270 276 G HA3 0.547 4.508 3.960 0.001 0.000 0.270 276 G C 0.825 175.768 174.900 0.072 0.000 1.352 276 G CA 0.033 45.196 45.100 0.105 0.000 1.060 276 G HN 1.447 nan 8.290 nan 0.000 0.538 277 S N 0.114 115.839 115.700 0.043 0.000 2.383 277 S HA -0.194 4.277 4.470 0.001 0.000 0.229 277 S C 1.589 176.182 174.600 -0.011 0.000 1.030 277 S CA 2.043 60.255 58.200 0.019 0.000 1.002 277 S CB -0.397 62.809 63.200 0.010 0.000 0.829 277 S HN 0.722 nan 8.310 nan 0.000 0.467 278 D N 1.555 121.935 120.400 -0.034 0.000 2.348 278 D HA -0.115 4.526 4.640 0.001 0.000 0.216 278 D C 0.110 176.308 176.300 -0.170 0.000 0.970 278 D CA 0.768 54.695 54.000 -0.122 0.000 0.889 278 D CB -0.956 39.747 40.800 -0.162 0.000 0.912 278 D HN 0.655 nan 8.370 nan 0.000 0.524 279 N N -0.572 118.109 118.700 -0.032 0.000 2.815 279 N HA -0.160 4.581 4.740 0.001 0.000 0.249 279 N C -0.927 174.669 175.510 0.144 0.000 1.114 279 N CA 0.276 53.352 53.050 0.044 0.000 0.717 279 N CB -1.776 36.694 38.487 -0.028 0.000 1.074 279 N HN 0.527 nan 8.380 nan 0.000 0.555 280 H N -0.117 118.987 119.070 0.057 0.000 2.489 280 H HA 0.144 4.701 4.556 0.001 0.000 0.343 280 H C -0.619 174.844 175.328 0.224 0.000 1.086 280 H CA -0.893 55.205 56.048 0.082 0.000 1.198 280 H CB 0.935 30.747 29.762 0.083 0.000 1.490 280 H HN 0.102 nan 8.280 nan 0.000 0.504 281 Y N 4.037 124.495 120.300 0.263 0.000 2.828 281 Y HA -0.138 4.413 4.550 0.001 0.000 0.359 281 Y C 1.306 177.338 175.900 0.220 0.000 1.258 281 Y CA -0.407 57.877 58.100 0.307 0.000 1.652 281 Y CB -0.132 38.580 38.460 0.420 0.000 1.232 281 Y HN 0.683 nan 8.280 nan 0.000 0.513 282 S N 4.090 119.940 115.700 0.251 0.000 2.359 282 S HA -0.195 4.276 4.470 0.001 0.000 0.224 282 S C 1.911 176.388 174.600 -0.206 0.000 1.035 282 S CA 0.887 59.115 58.200 0.046 0.000 1.018 282 S CB -0.625 62.653 63.200 0.130 0.000 0.876 282 S HN 0.735 nan 8.310 nan 0.000 0.448 283 A N 1.024 123.603 122.820 -0.402 0.000 2.259 283 A HA 0.329 4.650 4.320 0.001 0.000 0.208 283 A C 2.088 179.209 177.584 -0.772 0.000 1.201 283 A CA 0.860 52.589 52.037 -0.513 0.000 0.824 283 A CB -0.967 17.754 19.000 -0.465 0.000 0.838 283 A HN 0.542 nan 8.150 nan 0.000 0.485 284 S N 0.663 115.644 115.700 -1.198 0.000 2.372 284 S HA -0.225 4.246 4.470 0.001 0.000 0.227 284 S C 2.136 176.537 174.600 -0.332 0.000 1.044 284 S CA 2.731 60.462 58.200 -0.782 0.000 1.050 284 S CB -0.505 62.472 63.200 -0.372 0.000 0.901 284 S HN 0.846 nan 8.310 nan 0.000 0.447 285 T N -2.012 112.403 114.554 -0.232 0.000 3.113 285 T HA 0.084 4.435 4.350 0.001 0.000 0.256 285 T C 1.405 176.035 174.700 -0.117 0.000 1.131 285 T CA 1.299 63.329 62.100 -0.117 0.000 1.074 285 T CB -0.191 68.641 68.868 -0.061 0.000 0.944 285 T HN 0.526 nan 8.240 nan 0.000 0.516 286 T N -1.166 113.289 114.554 -0.165 0.000 3.145 286 T HA 0.508 4.859 4.350 0.001 0.000 0.281 286 T C -0.085 174.537 174.700 -0.129 0.000 1.003 286 T CA -0.744 61.281 62.100 -0.124 0.000 0.901 286 T CB -0.270 68.529 68.868 -0.115 0.000 1.112 286 T HN 0.415 nan 8.240 nan 0.000 0.535 287 M N 2.159 121.664 119.600 -0.158 0.000 2.206 287 M HA 0.398 4.879 4.480 0.001 0.000 0.272 287 M C -1.669 174.556 176.300 -0.124 0.000 1.012 287 M CA -0.541 54.692 55.300 -0.112 0.000 0.986 287 M CB 1.844 34.383 32.600 -0.100 0.000 1.740 287 M HN 0.014 nan 8.290 nan 0.000 0.472 288 D N 3.030 123.375 120.400 -0.091 0.000 2.443 288 D HA -0.011 4.630 4.640 0.001 0.000 0.234 288 D C -0.977 175.283 176.300 -0.066 0.000 1.172 288 D CA 0.906 54.843 54.000 -0.104 0.000 0.878 288 D CB 0.472 41.287 40.800 0.025 0.000 1.204 288 D HN 0.433 nan 8.370 nan 0.000 0.453 289 Y N 2.205 122.561 120.300 0.094 0.000 2.805 289 Y HA 0.106 4.657 4.550 0.001 0.000 0.337 289 Y C -1.286 174.675 175.900 0.103 0.000 1.252 289 Y CA -1.074 57.098 58.100 0.120 0.000 1.515 289 Y CB -0.339 38.188 38.460 0.112 0.000 1.305 289 Y HN 0.306 nan 8.280 nan 0.000 0.600 290 P HA 0.051 nan 4.420 nan 0.000 0.275 290 P C -0.851 176.495 177.300 0.076 0.000 1.227 290 P CA -0.459 62.700 63.100 0.098 0.000 0.781 290 P CB 1.091 32.798 31.700 0.013 0.000 0.906 291 S N 2.698 118.409 115.700 0.019 0.000 2.576 291 S HA 0.050 4.521 4.470 0.001 0.000 0.276 291 S C 1.503 176.037 174.600 -0.109 0.000 1.339 291 S CA -0.703 57.491 58.200 -0.010 0.000 1.039 291 S CB 0.127 63.321 63.200 -0.011 0.000 0.902 291 S HN 0.278 nan 8.310 nan 0.000 0.516 292 L N 2.730 123.874 121.223 -0.131 0.000 2.189 292 L HA -0.035 4.305 4.340 0.001 0.000 0.214 292 L C 2.342 179.097 176.870 -0.193 0.000 1.097 292 L CA 2.111 56.809 54.840 -0.236 0.000 0.764 292 L CB -1.571 40.387 42.059 -0.167 0.000 0.900 292 L HN 1.018 nan 8.230 nan 0.000 0.436 293 G N -1.522 107.203 108.800 -0.125 0.000 2.395 293 G HA2 -0.226 3.735 3.960 0.001 0.000 0.214 293 G HA3 -0.226 3.735 3.960 0.001 0.000 0.214 293 G C 1.585 176.413 174.900 -0.120 0.000 1.177 293 G CA 0.577 45.611 45.100 -0.109 0.000 0.794 293 G HN 0.343 nan 8.290 nan 0.000 0.532 294 L N 0.366 121.525 121.223 -0.107 0.000 2.127 294 L HA 0.088 4.429 4.340 0.001 0.000 0.211 294 L C 2.830 179.613 176.870 -0.146 0.000 1.089 294 L CA 1.437 56.215 54.840 -0.102 0.000 0.757 294 L CB -0.225 41.791 42.059 -0.072 0.000 0.899 294 L HN 0.215 nan 8.230 nan 0.000 0.434 295 M N -1.840 117.640 119.600 -0.201 0.000 2.117 295 M HA -0.201 4.280 4.480 0.001 0.000 0.262 295 M C 2.052 178.209 176.300 -0.239 0.000 1.065 295 M CA 2.120 57.260 55.300 -0.266 0.000 1.114 295 M CB -0.466 31.885 32.600 -0.415 0.000 1.361 295 M HN 0.238 nan 8.290 nan 0.000 0.408 296 T N -0.229 114.197 114.554 -0.212 0.000 2.643 296 T HA -0.207 4.144 4.350 0.001 0.000 0.264 296 T C 1.590 176.191 174.700 -0.165 0.000 1.045 296 T CA 1.721 63.709 62.100 -0.187 0.000 1.155 296 T CB -0.302 68.471 68.868 -0.158 0.000 0.863 296 T HN 0.482 nan 8.240 nan 0.000 0.420 297 E N 0.573 120.690 120.200 -0.138 0.000 2.114 297 E HA -0.246 4.105 4.350 0.001 0.000 0.199 297 E C 2.036 178.558 176.600 -0.131 0.000 1.008 297 E CA 1.244 57.573 56.400 -0.119 0.000 0.810 297 E CB 0.075 29.719 29.700 -0.094 0.000 0.739 297 E HN 0.181 nan 8.360 nan 0.000 0.456 298 K N -0.059 120.255 120.400 -0.144 0.000 2.167 298 K HA -0.075 4.246 4.320 0.001 0.000 0.203 298 K C 2.148 178.633 176.600 -0.191 0.000 1.052 298 K CA 0.295 56.490 56.287 -0.153 0.000 0.956 298 K CB -0.225 32.188 32.500 -0.145 0.000 0.735 298 K HN 0.178 nan 8.250 nan 0.000 0.451 299 L N 1.691 122.788 121.223 -0.210 0.000 2.017 299 L HA -0.194 4.147 4.340 0.001 0.000 0.208 299 L C 2.567 179.292 176.870 -0.242 0.000 1.073 299 L CA 1.961 56.655 54.840 -0.243 0.000 0.745 299 L CB -1.113 40.798 42.059 -0.248 0.000 0.894 299 L HN 0.229 nan 8.230 nan 0.000 0.432 300 S N -1.384 114.192 115.700 -0.207 0.000 2.356 300 S HA -0.271 4.199 4.470 0.001 0.000 0.223 300 S C 1.849 176.335 174.600 -0.190 0.000 1.032 300 S CA 1.167 59.250 58.200 -0.195 0.000 1.005 300 S CB -0.752 62.349 63.200 -0.165 0.000 0.867 300 S HN 0.556 nan 8.310 nan 0.000 0.449 301 Q N 0.664 120.364 119.800 -0.166 0.000 2.248 301 Q HA -0.028 4.313 4.340 0.001 0.000 0.208 301 Q C 1.135 177.031 176.000 -0.173 0.000 0.984 301 Q CA 1.050 56.766 55.803 -0.145 0.000 0.875 301 Q CB -0.102 28.567 28.738 -0.116 0.000 0.910 301 Q HN 0.456 nan 8.270 nan 0.000 0.433 302 K N -0.017 120.239 120.400 -0.240 0.000 2.414 302 K HA 0.136 4.457 4.320 0.001 0.000 0.204 302 K C -0.484 175.824 176.600 -0.486 0.000 1.026 302 K CA -0.137 55.965 56.287 -0.308 0.000 1.108 302 K CB 0.320 32.626 32.500 -0.324 0.000 0.855 302 K HN 0.215 nan 8.250 nan 0.000 0.517 303 N N 1.693 120.138 118.700 -0.425 0.000 2.714 303 N HA -0.176 4.565 4.740 0.001 0.000 0.252 303 N C -0.795 174.342 175.510 -0.621 0.000 1.014 303 N CA 0.296 53.054 53.050 -0.487 0.000 0.735 303 N CB -0.652 37.539 38.487 -0.493 0.000 0.924 303 N HN 0.191 nan 8.380 nan 0.000 0.540 304 I N -0.063 120.200 120.570 -0.511 0.000 2.392 304 I HA 0.247 4.418 4.170 0.001 0.000 0.295 304 I C 0.391 176.337 176.117 -0.286 0.000 0.985 304 I CA -0.308 60.700 61.300 -0.486 0.000 1.221 304 I CB 1.377 39.034 38.000 -0.571 0.000 1.366 304 I HN 0.120 nan 8.210 nan 0.000 0.467 305 N N 4.995 123.592 118.700 -0.172 0.000 2.437 305 N HA 0.269 5.010 4.740 0.001 0.000 0.259 305 N C -0.863 174.590 175.510 -0.096 0.000 0.983 305 N CA -0.544 52.436 53.050 -0.117 0.000 0.937 305 N CB 1.988 40.449 38.487 -0.043 0.000 1.122 305 N HN 0.367 nan 8.380 nan 0.000 0.499 306 L N 5.199 126.313 121.223 -0.181 0.000 2.290 306 L HA 0.461 4.802 4.340 0.001 0.000 0.284 306 L C -0.675 176.045 176.870 -0.249 0.000 1.078 306 L CA -0.180 54.521 54.840 -0.232 0.000 0.815 306 L CB 0.340 42.155 42.059 -0.407 0.000 1.162 306 L HN 0.328 nan 8.230 nan 0.000 0.435 307 I N 5.219 125.728 120.570 -0.102 0.000 2.509 307 I HA 0.297 4.467 4.170 0.001 0.000 0.293 307 I C -0.826 175.396 176.117 0.175 0.000 1.020 307 I CA -0.448 60.844 61.300 -0.014 0.000 1.088 307 I CB 1.458 39.509 38.000 0.085 0.000 1.267 307 I HN 0.368 nan 8.210 nan 0.000 0.430 308 F N 4.021 124.036 119.950 0.108 0.000 2.310 308 F HA 0.488 5.016 4.527 0.002 0.000 0.365 308 F C 0.696 176.520 175.800 0.040 0.000 1.080 308 F CA -1.483 56.589 58.000 0.118 0.000 1.187 308 F CB 0.939 40.005 39.000 0.111 0.000 1.465 308 F HN 0.507 nan 8.300 nan 0.000 0.496 309 A N 3.895 126.834 122.820 0.198 0.000 2.527 309 A HA 0.628 4.949 4.320 0.001 0.000 0.313 309 A C -0.267 177.301 177.584 -0.027 0.000 1.410 309 A CA -0.307 51.778 52.037 0.080 0.000 1.060 309 A CB -0.296 18.743 19.000 0.064 0.000 1.137 309 A HN 0.512 nan 8.150 nan 0.000 0.542 310 V N 0.475 120.373 119.914 -0.026 0.000 3.040 310 V HA 0.857 4.978 4.120 0.001 0.000 0.312 310 V C 0.111 176.202 176.094 -0.005 0.000 1.115 310 V CA -0.386 61.861 62.300 -0.088 0.000 0.998 310 V CB 1.306 32.998 31.823 -0.219 0.000 1.042 310 V HN 0.852 nan 8.190 nan 0.000 0.433 311 T N -1.248 113.305 114.554 -0.000 0.000 2.919 311 T HA 0.256 4.606 4.350 0.001 0.000 0.302 311 T C 0.861 175.588 174.700 0.044 0.000 1.031 311 T CA 0.600 62.716 62.100 0.027 0.000 1.127 311 T CB 1.151 70.033 68.868 0.023 0.000 0.952 311 T HN 1.062 nan 8.240 nan 0.000 0.540 312 E N 2.499 122.726 120.200 0.045 0.000 2.169 312 E HA -0.338 4.013 4.350 0.001 0.000 0.202 312 E C 1.979 178.606 176.600 0.045 0.000 1.016 312 E CA 2.341 58.769 56.400 0.048 0.000 0.817 312 E CB -0.295 29.430 29.700 0.041 0.000 0.736 312 E HN 0.820 nan 8.360 nan 0.000 0.462 313 N N -0.193 118.531 118.700 0.040 0.000 2.094 313 N HA -0.179 4.561 4.740 0.001 0.000 0.191 313 N C 1.576 177.109 175.510 0.038 0.000 1.023 313 N CA 1.630 54.700 53.050 0.033 0.000 0.857 313 N CB -0.376 38.128 38.487 0.029 0.000 1.013 313 N HN 0.205 nan 8.380 nan 0.000 0.426 314 V N 0.935 120.889 119.914 0.066 0.000 3.121 314 V HA 0.134 4.255 4.120 0.001 0.000 0.344 314 V C 1.604 177.795 176.094 0.161 0.000 1.390 314 V CA -0.144 62.214 62.300 0.096 0.000 1.177 314 V CB 0.048 31.962 31.823 0.151 0.000 1.163 314 V HN 0.010 nan 8.190 nan 0.000 0.484 315 V N 0.882 120.865 119.914 0.115 0.000 2.222 315 V HA -0.217 3.903 4.120 0.001 0.000 0.240 315 V C 2.349 178.513 176.094 0.117 0.000 1.040 315 V CA 2.512 64.891 62.300 0.133 0.000 0.988 315 V CB -0.676 31.203 31.823 0.093 0.000 0.633 315 V HN 0.666 nan 8.190 nan 0.000 0.452 316 N N -0.166 118.569 118.700 0.057 0.000 2.242 316 N HA -0.250 4.490 4.740 0.001 0.000 0.193 316 N C 1.673 177.162 175.510 -0.035 0.000 1.000 316 N CA 1.939 55.002 53.050 0.021 0.000 0.885 316 N CB -0.363 38.126 38.487 0.002 0.000 0.988 316 N HN 0.436 nan 8.380 nan 0.000 0.444 317 L N -0.279 120.888 121.223 -0.093 0.000 2.027 317 L HA -0.131 4.210 4.340 0.001 0.000 0.206 317 L C 1.744 178.370 176.870 -0.406 0.000 1.074 317 L CA 1.313 55.966 54.840 -0.313 0.000 0.745 317 L CB -0.391 41.428 42.059 -0.400 0.000 0.898 317 L HN 0.085 nan 8.230 nan 0.000 0.433 318 Y N -0.333 119.883 120.300 -0.139 0.000 2.574 318 Y HA -0.182 4.369 4.550 0.001 0.000 0.294 318 Y C 2.551 178.578 175.900 0.213 0.000 1.142 318 Y CA 0.949 59.059 58.100 0.016 0.000 1.314 318 Y CB -0.132 38.317 38.460 -0.019 0.000 0.991 318 Y HN 0.370 nan 8.280 nan 0.000 0.555 319 Q N -0.105 119.832 119.800 0.228 0.000 2.049 319 Q HA -0.157 4.184 4.340 0.001 0.000 0.198 319 Q C 1.582 177.675 176.000 0.154 0.000 0.971 319 Q CA 1.572 57.493 55.803 0.198 0.000 0.833 319 Q CB -0.102 28.707 28.738 0.118 0.000 0.896 319 Q HN 0.579 nan 8.270 nan 0.000 0.434 320 N N -0.522 118.214 118.700 0.060 0.000 2.309 320 N HA -0.161 4.580 4.740 0.001 0.000 0.182 320 N C 1.052 176.678 175.510 0.194 0.000 1.018 320 N CA 0.891 53.977 53.050 0.059 0.000 0.876 320 N CB -0.141 38.328 38.487 -0.030 0.000 0.972 320 N HN 0.204 nan 8.380 nan 0.000 0.434 321 Y N 0.723 121.105 120.300 0.136 0.000 2.314 321 Y HA 0.041 4.592 4.550 0.002 0.000 0.293 321 Y C 2.679 178.699 175.900 0.200 0.000 1.129 321 Y CA -0.031 58.184 58.100 0.192 0.000 1.201 321 Y CB -0.761 37.883 38.460 0.307 0.000 0.999 321 Y HN 0.121 nan 8.280 nan 0.000 0.541 322 S N -0.264 115.665 115.700 0.383 0.000 2.371 322 S HA -0.189 4.282 4.470 0.001 0.000 0.224 322 S C 1.999 176.654 174.600 0.092 0.000 1.029 322 S CA 1.167 59.481 58.200 0.190 0.000 0.978 322 S CB -0.290 63.016 63.200 0.177 0.000 0.833 322 S HN 0.554 nan 8.310 nan 0.000 0.466 323 E N -0.075 120.186 120.200 0.101 0.000 2.396 323 E HA -0.097 4.254 4.350 0.001 0.000 0.200 323 E C 1.493 178.115 176.600 0.037 0.000 1.023 323 E CA 0.830 57.261 56.400 0.052 0.000 0.857 323 E CB -0.034 29.697 29.700 0.052 0.000 0.775 323 E HN 0.548 nan 8.360 nan 0.000 0.525 324 L N -0.031 121.229 121.223 0.062 0.000 2.609 324 L HA 0.232 4.573 4.340 0.001 0.000 0.230 324 L C 0.491 177.347 176.870 -0.024 0.000 1.087 324 L CA -0.038 54.819 54.840 0.028 0.000 0.874 324 L CB 0.649 42.746 42.059 0.064 0.000 1.114 324 L HN 0.036 nan 8.230 nan 0.000 0.488 325 I N 1.328 121.880 120.570 -0.030 0.000 2.412 325 I HA 0.259 4.430 4.170 0.001 0.000 0.279 325 I C -2.321 173.732 176.117 -0.106 0.000 1.063 325 I CA -1.883 59.356 61.300 -0.101 0.000 1.193 325 I CB 0.946 38.858 38.000 -0.148 0.000 1.370 325 I HN -0.228 nan 8.210 nan 0.000 0.479 326 P HA 0.061 nan 4.420 nan 0.000 0.267 326 P C 0.983 178.203 177.300 -0.134 0.000 1.200 326 P CA 0.562 63.597 63.100 -0.108 0.000 0.772 326 P CB 0.645 32.278 31.700 -0.112 0.000 0.855 327 G N 0.930 109.656 108.800 -0.124 0.000 2.148 327 G HA2 -0.213 3.748 3.960 0.001 0.000 0.254 327 G HA3 -0.213 3.748 3.960 0.001 0.000 0.254 327 G C 0.193 175.004 174.900 -0.148 0.000 0.981 327 G CA 0.185 45.203 45.100 -0.136 0.000 0.670 327 G HN 0.609 nan 8.290 nan 0.000 0.528 328 T N 1.437 115.897 114.554 -0.156 0.000 2.882 328 T HA 0.611 4.961 4.350 0.001 0.000 0.287 328 T C 0.351 174.961 174.700 -0.150 0.000 0.992 328 T CA 0.532 62.502 62.100 -0.218 0.000 1.076 328 T CB 1.602 70.295 68.868 -0.293 0.000 0.961 328 T HN 0.366 nan 8.240 nan 0.000 0.490 329 T N 1.523 115.983 114.554 -0.156 0.000 2.829 329 T HA 0.637 4.988 4.350 0.001 0.000 0.280 329 T C -0.167 174.541 174.700 0.013 0.000 0.999 329 T CA -0.892 61.179 62.100 -0.048 0.000 0.983 329 T CB 1.284 70.142 68.868 -0.016 0.000 0.968 329 T HN 0.549 nan 8.240 nan 0.000 0.446 330 V N -0.331 119.641 119.914 0.097 0.000 2.487 330 V HA 0.986 5.107 4.120 0.001 0.000 0.298 330 V C 0.077 176.260 176.094 0.149 0.000 1.028 330 V CA -0.805 61.612 62.300 0.195 0.000 0.860 330 V CB 1.305 33.284 31.823 0.259 0.000 0.991 330 V HN 1.150 nan 8.190 nan 0.000 0.427 331 G N 2.260 111.153 108.800 0.155 0.000 2.666 331 G HA2 0.518 4.479 3.960 0.001 0.000 0.303 331 G HA3 0.518 4.479 3.960 0.001 0.000 0.303 331 G C -0.738 174.224 174.900 0.103 0.000 1.412 331 G CA -0.820 44.350 45.100 0.116 0.000 0.979 331 G HN 1.261 nan 8.290 nan 0.000 0.507 332 V N 4.438 124.405 119.914 0.088 0.000 2.441 332 V HA 0.187 4.308 4.120 0.001 0.000 0.279 332 V C 0.439 176.573 176.094 0.066 0.000 0.990 332 V CA -0.047 62.297 62.300 0.074 0.000 1.116 332 V CB -0.066 31.797 31.823 0.066 0.000 0.977 332 V HN 0.620 nan 8.190 nan 0.000 0.470 333 L N 6.354 127.611 121.223 0.057 0.000 2.468 333 L HA 0.529 4.870 4.340 0.001 0.000 0.254 333 L C 0.548 177.448 176.870 0.051 0.000 1.171 333 L CA 0.780 55.653 54.840 0.055 0.000 0.809 333 L CB 1.815 43.897 42.059 0.039 0.000 1.155 333 L HN 0.733 nan 8.230 nan 0.000 0.473 334 S N 0.707 116.441 115.700 0.056 0.000 2.690 334 S HA 0.338 4.809 4.470 0.001 0.000 0.291 334 S C 1.158 175.786 174.600 0.048 0.000 1.138 334 S CA -0.778 57.453 58.200 0.052 0.000 1.013 334 S CB 0.936 64.170 63.200 0.056 0.000 1.053 334 S HN 0.624 nan 8.310 nan 0.000 0.539 335 M N 2.311 121.936 119.600 0.042 0.000 2.065 335 M HA -0.085 4.396 4.480 0.001 0.000 0.259 335 M C 1.370 177.695 176.300 0.042 0.000 1.069 335 M CA 1.945 57.267 55.300 0.036 0.000 1.110 335 M CB -2.121 30.497 32.600 0.031 0.000 1.328 335 M HN 0.816 nan 8.290 nan 0.000 0.405 336 D N -1.451 118.979 120.400 0.052 0.000 2.347 336 D HA 0.024 4.665 4.640 0.001 0.000 0.213 336 D C 0.967 177.320 176.300 0.087 0.000 0.985 336 D CA 0.839 54.880 54.000 0.068 0.000 0.879 336 D CB -0.031 40.813 40.800 0.074 0.000 0.919 336 D HN 0.266 nan 8.370 nan 0.000 0.526 337 S N -1.255 114.495 115.700 0.082 0.000 3.361 337 S HA -0.272 4.199 4.470 0.001 0.000 0.288 337 S C 1.461 176.122 174.600 0.102 0.000 1.269 337 S CA 0.894 59.155 58.200 0.102 0.000 0.976 337 S CB -2.152 61.126 63.200 0.131 0.000 1.162 337 S HN 0.612 nan 8.310 nan 0.000 0.643 338 S N 1.181 116.930 115.700 0.081 0.000 2.402 338 S HA -0.136 4.335 4.470 0.001 0.000 0.229 338 S C 1.396 176.032 174.600 0.060 0.000 1.021 338 S CA 1.398 59.636 58.200 0.062 0.000 0.974 338 S CB -0.739 62.492 63.200 0.052 0.000 0.800 338 S HN 0.800 nan 8.310 nan 0.000 0.484 339 N N 1.591 120.330 118.700 0.065 0.000 2.513 339 N HA -0.090 4.650 4.740 0.001 0.000 0.187 339 N C 1.449 177.007 175.510 0.080 0.000 1.056 339 N CA 0.925 54.014 53.050 0.064 0.000 0.907 339 N CB -0.637 37.887 38.487 0.062 0.000 0.954 339 N HN 0.304 nan 8.380 nan 0.000 0.445 340 V N 0.656 120.634 119.914 0.107 0.000 2.324 340 V HA -0.252 3.869 4.120 0.001 0.000 0.250 340 V C 2.087 178.262 176.094 0.135 0.000 1.060 340 V CA 2.119 64.510 62.300 0.152 0.000 1.042 340 V CB -0.507 31.465 31.823 0.249 0.000 0.650 340 V HN 0.614 nan 8.190 nan 0.000 0.450 341 L N -0.853 120.421 121.223 0.085 0.000 2.072 341 L HA -0.077 4.264 4.340 0.001 0.000 0.205 341 L C 2.419 179.321 176.870 0.054 0.000 1.079 341 L CA 1.890 56.764 54.840 0.057 0.000 0.752 341 L CB -0.832 41.229 42.059 0.003 0.000 0.906 341 L HN 0.294 nan 8.230 nan 0.000 0.436 342 Q N -0.067 119.761 119.800 0.047 0.000 2.561 342 Q HA -0.085 4.256 4.340 0.001 0.000 0.217 342 Q C 1.615 177.652 176.000 0.062 0.000 0.980 342 Q CA 1.163 56.993 55.803 0.045 0.000 0.927 342 Q CB -0.054 28.706 28.738 0.037 0.000 0.980 342 Q HN 0.554 nan 8.270 nan 0.000 0.525 343 L N -1.479 119.791 121.223 0.078 0.000 2.269 343 L HA 0.164 4.504 4.340 0.001 0.000 0.200 343 L C 1.573 178.505 176.870 0.104 0.000 1.069 343 L CA 0.969 55.864 54.840 0.091 0.000 0.804 343 L CB -0.149 41.971 42.059 0.102 0.000 0.987 343 L HN 0.200 nan 8.230 nan 0.000 0.468 344 I N -0.852 119.786 120.570 0.113 0.000 2.142 344 I HA -0.190 3.980 4.170 0.001 0.000 0.240 344 I C 0.698 176.888 176.117 0.120 0.000 1.078 344 I CA 0.663 62.039 61.300 0.126 0.000 1.343 344 I CB -0.193 37.884 38.000 0.128 0.000 1.046 344 I HN -0.156 nan 8.210 nan 0.000 0.405 345 V N 2.513 122.478 119.914 0.085 0.000 2.157 345 V HA 0.011 4.132 4.120 0.001 0.000 0.241 345 V C 0.126 176.278 176.094 0.096 0.000 1.349 345 V CA 0.950 63.296 62.300 0.077 0.000 1.319 345 V CB -0.350 31.487 31.823 0.024 0.000 1.421 345 V HN 0.433 nan 8.190 nan 0.000 0.501 346 D N 1.948 122.426 120.400 0.129 0.000 1.149 346 D HA 0.007 4.648 4.640 0.001 0.000 0.854 346 D C 1.747 178.116 176.300 0.115 0.000 0.417 346 D CA 0.743 54.808 54.000 0.108 0.000 1.373 346 D CB -0.096 40.755 40.800 0.085 0.000 1.015 346 D HN 0.366 nan 8.370 nan 0.000 0.406 347 A N 0.327 123.224 122.820 0.127 0.000 1.897 347 A HA -0.080 4.240 4.320 0.001 0.000 0.215 347 A C 2.032 179.693 177.584 0.128 0.000 1.181 347 A CA 1.586 53.689 52.037 0.110 0.000 0.620 347 A CB -0.940 18.127 19.000 0.111 0.000 0.821 347 A HN 0.372 nan 8.150 nan 0.000 0.443 348 Y N 1.127 121.460 120.300 0.055 0.000 2.102 348 Y HA -0.226 4.324 4.550 0.001 0.000 0.280 348 Y C 2.442 178.378 175.900 0.060 0.000 1.178 348 Y CA 1.688 59.824 58.100 0.060 0.000 1.146 348 Y CB -0.797 37.698 38.460 0.059 0.000 0.968 348 Y HN 0.242 nan 8.280 nan 0.000 0.504 349 G N -0.069 108.828 108.800 0.162 0.000 2.459 349 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 349 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 349 G C 1.731 176.630 174.900 -0.001 0.000 1.183 349 G CA 1.174 46.317 45.100 0.072 0.000 0.776 349 G HN 0.393 nan 8.290 nan 0.000 0.552 350 K N -0.228 120.183 120.400 0.018 0.000 2.063 350 K HA -0.041 4.280 4.320 0.001 0.000 0.208 350 K C 2.455 179.033 176.600 -0.036 0.000 1.048 350 K CA 0.901 57.187 56.287 -0.002 0.000 0.928 350 K CB -0.202 32.306 32.500 0.013 0.000 0.713 350 K HN 0.217 nan 8.250 nan 0.000 0.442 351 I N 1.141 121.675 120.570 -0.061 0.000 2.226 351 I HA -0.235 3.936 4.170 0.001 0.000 0.245 351 I C 1.398 177.460 176.117 -0.092 0.000 1.100 351 I CA 1.545 62.793 61.300 -0.087 0.000 1.374 351 I CB -0.778 37.158 38.000 -0.106 0.000 1.057 351 I HN 0.140 nan 8.210 nan 0.000 0.413 352 R N 0.762 121.167 120.500 -0.158 0.000 2.721 352 R HA 0.152 4.493 4.340 0.001 0.000 0.296 352 R C 0.836 177.123 176.300 -0.022 0.000 1.174 352 R CA 0.208 56.253 56.100 -0.092 0.000 1.129 352 R CB -0.091 30.067 30.300 -0.236 0.000 1.316 352 R HN 0.350 nan 8.270 nan 0.000 0.571 353 S N -0.237 115.455 115.700 -0.014 0.000 2.846 353 S HA 0.129 4.600 4.470 0.001 0.000 0.249 353 S C 0.016 174.618 174.600 0.003 0.000 1.028 353 S CA -0.690 57.511 58.200 0.001 0.000 1.043 353 S CB 0.088 63.286 63.200 -0.004 0.000 0.990 353 S HN 0.313 nan 8.310 nan 0.000 0.564 354 K N 0.099 120.502 120.400 0.004 0.000 2.502 354 K HA 0.676 4.997 4.320 0.001 0.000 0.257 354 K C -1.046 175.543 176.600 -0.017 0.000 0.938 354 K CA -1.110 55.169 56.287 -0.013 0.000 0.819 354 K CB 2.180 34.650 32.500 -0.051 0.000 1.333 354 K HN 0.157 nan 8.250 nan 0.000 0.434 355 V N -1.362 118.551 119.914 -0.001 0.000 2.384 355 V HA 0.287 4.407 4.120 0.001 0.000 0.257 355 V C -0.683 175.361 176.094 -0.085 0.000 0.969 355 V CA -0.679 61.610 62.300 -0.017 0.000 0.910 355 V CB 0.385 32.328 31.823 0.200 0.000 1.150 355 V HN 0.918 nan 8.190 nan 0.000 0.481 356 E N 2.400 122.477 120.200 -0.206 0.000 2.257 356 E HA 0.411 4.762 4.350 0.001 0.000 0.278 356 E C -0.626 175.765 176.600 -0.348 0.000 1.049 356 E CA -0.272 55.970 56.400 -0.263 0.000 0.876 356 E CB 1.257 30.817 29.700 -0.234 0.000 1.035 356 E HN 0.670 nan 8.360 nan 0.000 0.419 357 L N 5.275 126.211 121.223 -0.479 0.000 2.313 357 L HA 0.237 4.578 4.340 0.001 0.000 0.282 357 L C -0.338 176.298 176.870 -0.392 0.000 1.092 357 L CA 0.230 54.778 54.840 -0.488 0.000 0.831 357 L CB 0.609 42.194 42.059 -0.790 0.000 1.159 357 L HN 0.623 nan 8.230 nan 0.000 0.442 358 E N 3.949 123.996 120.200 -0.256 0.000 2.195 358 E HA 0.645 4.996 4.350 0.001 0.000 0.271 358 E C -0.975 175.571 176.600 -0.090 0.000 0.923 358 E CA -1.000 55.285 56.400 -0.191 0.000 0.790 358 E CB 1.752 31.349 29.700 -0.172 0.000 1.155 358 E HN 0.257 nan 8.360 nan 0.000 0.402 359 V N 1.783 121.656 119.914 -0.067 0.000 3.513 359 V HA 0.638 4.759 4.120 0.001 0.000 0.297 359 V C -0.081 176.023 176.094 0.016 0.000 1.058 359 V CA -0.897 61.416 62.300 0.022 0.000 1.003 359 V CB 1.206 33.028 31.823 -0.002 0.000 1.236 359 V HN 0.797 nan 8.190 nan 0.000 0.436 360 R N -0.118 120.419 120.500 0.061 0.000 2.868 360 R HA 0.411 4.752 4.340 0.001 0.000 0.262 360 R C -0.834 175.518 176.300 0.087 0.000 1.163 360 R CA 0.174 56.303 56.100 0.049 0.000 1.105 360 R CB 0.776 31.107 30.300 0.052 0.000 1.270 360 R HN 0.904 nan 8.270 nan 0.000 0.437 361 D N 1.448 121.873 120.400 0.042 0.000 4.235 361 D HA -0.305 4.336 4.640 0.001 0.000 0.139 361 D C -1.029 175.272 176.300 0.002 0.000 0.834 361 D CA 1.608 55.640 54.000 0.052 0.000 1.081 361 D CB -0.562 40.307 40.800 0.116 0.000 0.567 361 D HN 0.976 nan 8.370 nan 0.000 0.575 362 L N -1.732 119.509 121.223 0.030 0.000 2.263 362 L HA -0.009 4.332 4.340 0.001 0.000 0.574 362 L C -2.661 174.155 176.870 -0.091 0.000 1.000 362 L CA -0.127 54.579 54.840 -0.224 0.000 1.256 362 L CB -0.871 40.884 42.059 -0.506 0.000 1.933 362 L HN 0.343 nan 8.230 nan 0.000 0.985 363 P HA 0.125 nan 4.420 nan 0.000 0.267 363 P C 0.476 177.781 177.300 0.009 0.000 1.200 363 P CA 0.315 63.452 63.100 0.061 0.000 0.772 363 P CB 0.523 32.331 31.700 0.182 0.000 0.855 364 E N 2.960 123.169 120.200 0.016 0.000 2.153 364 E HA -0.249 4.102 4.350 0.001 0.000 0.194 364 E C 1.036 177.639 176.600 0.005 0.000 0.988 364 E CA 1.516 57.917 56.400 0.002 0.000 0.811 364 E CB -0.551 29.154 29.700 0.008 0.000 0.746 364 E HN 0.383 nan 8.360 nan 0.000 0.466 365 E N 1.239 121.446 120.200 0.011 0.000 2.051 365 E HA -0.053 4.298 4.350 0.001 0.000 0.192 365 E C 1.343 177.953 176.600 0.017 0.000 0.991 365 E CA 0.714 57.106 56.400 -0.013 0.000 0.799 365 E CB -0.276 29.366 29.700 -0.097 0.000 0.748 365 E HN 0.470 nan 8.360 nan 0.000 0.449 366 L N -1.301 119.961 121.223 0.065 0.000 2.357 366 L HA 0.501 4.842 4.340 0.001 0.000 0.273 366 L C 0.219 177.090 176.870 0.002 0.000 1.080 366 L CA -0.491 54.393 54.840 0.074 0.000 0.803 366 L CB 1.680 43.835 42.059 0.160 0.000 1.174 366 L HN -0.290 nan 8.230 nan 0.000 0.443 367 S N 2.006 117.712 115.700 0.010 0.000 2.538 367 S HA 0.747 5.218 4.470 0.001 0.000 0.288 367 S C -0.822 173.768 174.600 -0.016 0.000 1.108 367 S CA -0.567 57.626 58.200 -0.012 0.000 0.971 367 S CB 1.282 64.489 63.200 0.012 0.000 1.041 367 S HN 0.493 nan 8.310 nan 0.000 0.483 368 L N 3.499 124.700 121.223 -0.037 0.000 2.307 368 L HA 0.601 4.942 4.340 0.001 0.000 0.282 368 L C -0.041 176.766 176.870 -0.105 0.000 1.051 368 L CA 0.157 54.920 54.840 -0.128 0.000 0.804 368 L CB 1.552 43.515 42.059 -0.160 0.000 1.197 368 L HN 0.643 nan 8.230 nan 0.000 0.431 369 S N 3.047 118.593 115.700 -0.258 0.000 2.500 369 S HA 0.784 5.255 4.470 0.001 0.000 0.301 369 S C -0.857 173.581 174.600 -0.269 0.000 1.092 369 S CA -0.476 57.675 58.200 -0.082 0.000 1.030 369 S CB 1.188 64.362 63.200 -0.042 0.000 1.031 369 S HN 0.202 nan 8.310 nan 0.000 0.483 370 F N 1.485 121.405 119.950 -0.052 0.000 2.556 370 F HA 0.584 5.112 4.527 0.001 0.000 0.327 370 F C 0.546 176.343 175.800 -0.006 0.000 1.059 370 F CA -1.141 56.833 58.000 -0.043 0.000 0.953 370 F CB 1.228 40.188 39.000 -0.067 0.000 1.227 370 F HN 0.367 nan 8.300 nan 0.000 0.478 371 N N 1.253 120.078 118.700 0.209 0.000 2.716 371 N HA 0.392 5.133 4.740 0.001 0.000 0.245 371 N C -0.628 174.987 175.510 0.176 0.000 1.495 371 N CA -0.324 52.809 53.050 0.139 0.000 0.759 371 N CB 1.323 39.849 38.487 0.064 0.000 1.261 371 N HN 0.737 nan 8.380 nan 0.000 0.515 372 A N 0.387 123.371 122.820 0.272 0.000 2.475 372 A HA 0.449 4.769 4.320 0.001 0.000 0.239 372 A C 0.607 178.236 177.584 0.075 0.000 1.087 372 A CA 0.452 52.680 52.037 0.318 0.000 0.779 372 A CB 0.294 19.592 19.000 0.495 0.000 1.036 372 A HN 0.306 nan 8.150 nan 0.000 0.506 373 T N -0.734 113.774 114.554 -0.077 0.000 3.798 373 T HA 0.368 4.719 4.350 0.001 0.000 0.339 373 T C -0.683 173.923 174.700 -0.156 0.000 0.967 373 T CA -0.159 61.892 62.100 -0.083 0.000 1.046 373 T CB -0.058 68.771 68.868 -0.065 0.000 1.092 373 T HN 0.793 nan 8.240 nan 0.000 0.465 374 c N 5.825 124.370 118.600 -0.092 0.000 3.240 374 c HA 0.574 5.145 4.570 0.001 0.000 0.271 374 c C -0.279 173.784 174.090 -0.045 0.000 1.534 374 c CA -0.470 55.802 56.329 -0.095 0.000 1.796 374 c CB -1.318 41.144 42.510 -0.081 0.000 2.892 374 c HN 0.734 nan 8.230 nan 0.000 0.566 375 L N 2.696 123.904 121.223 -0.025 0.000 2.614 375 L HA 0.298 4.639 4.340 0.001 0.000 0.264 375 L C -0.724 176.143 176.870 -0.005 0.000 0.940 375 L CA -0.121 54.718 54.840 -0.003 0.000 0.903 375 L CB 1.356 43.438 42.059 0.039 0.000 1.306 375 L HN 0.515 nan 8.230 nan 0.000 0.410 376 N N 3.193 121.886 118.700 -0.013 0.000 2.759 376 N HA -0.296 4.445 4.740 0.001 0.000 0.277 376 N C 0.381 175.883 175.510 -0.012 0.000 0.982 376 N CA 0.974 54.016 53.050 -0.013 0.000 0.833 376 N CB -1.202 37.279 38.487 -0.012 0.000 0.927 376 N HN 0.926 nan 8.380 nan 0.000 0.573 377 N N -2.606 116.083 118.700 -0.019 0.000 2.627 377 N HA -0.331 4.410 4.740 0.001 0.000 0.248 377 N C -0.393 175.112 175.510 -0.008 0.000 1.173 377 N CA 1.901 54.940 53.050 -0.018 0.000 0.741 377 N CB -0.977 37.499 38.487 -0.017 0.000 1.128 377 N HN 0.859 nan 8.380 nan 0.000 0.562 378 E N 0.309 120.509 120.200 -0.000 0.000 2.283 378 E HA 0.384 4.735 4.350 0.001 0.000 0.278 378 E C 0.337 176.944 176.600 0.013 0.000 1.027 378 E CA -0.629 55.777 56.400 0.011 0.000 0.843 378 E CB 1.059 30.772 29.700 0.022 0.000 1.062 378 E HN 0.294 nan 8.360 nan 0.000 0.401 379 V N 2.066 121.990 119.914 0.016 0.000 3.211 379 V HA 0.624 4.745 4.120 0.001 0.000 0.319 379 V C 0.102 176.216 176.094 0.033 0.000 1.096 379 V CA -0.672 61.639 62.300 0.019 0.000 1.029 379 V CB 1.354 33.187 31.823 0.017 0.000 1.137 379 V HN 0.674 nan 8.190 nan 0.000 0.453 380 I N -1.885 118.710 120.570 0.041 0.000 2.787 380 I HA 0.474 4.645 4.170 0.001 0.000 0.275 380 I C -2.772 173.379 176.117 0.057 0.000 1.371 380 I CA -1.680 59.649 61.300 0.048 0.000 0.949 380 I CB 1.362 39.391 38.000 0.048 0.000 1.407 380 I HN 0.460 nan 8.210 nan 0.000 0.557 381 P HA 0.073 nan 4.420 nan 0.000 0.260 381 P C 0.975 178.309 177.300 0.057 0.000 1.172 381 P CA 1.671 64.805 63.100 0.056 0.000 0.760 381 P CB 1.124 32.850 31.700 0.043 0.000 0.773 382 G N 1.809 110.654 108.800 0.074 0.000 2.424 382 G HA2 -0.221 3.740 3.960 0.001 0.000 0.207 382 G HA3 -0.221 3.740 3.960 0.001 0.000 0.207 382 G C -0.267 174.659 174.900 0.043 0.000 1.061 382 G CA -0.142 44.994 45.100 0.060 0.000 0.657 382 G HN 0.606 nan 8.290 nan 0.000 0.508 383 L N 1.975 123.222 121.223 0.040 0.000 2.453 383 L HA 0.703 5.044 4.340 0.001 0.000 0.261 383 L C 1.051 177.913 176.870 -0.015 0.000 1.179 383 L CA 0.713 55.550 54.840 -0.004 0.000 0.813 383 L CB 1.104 43.175 42.059 0.020 0.000 1.110 383 L HN 0.525 nan 8.230 nan 0.000 0.466 384 K N 0.522 120.798 120.400 -0.207 0.000 3.209 384 K HA 0.481 4.801 4.320 0.001 0.000 0.202 384 K C -0.958 175.263 176.600 -0.632 0.000 1.109 384 K CA -0.343 55.628 56.287 -0.526 0.000 0.968 384 K CB 0.234 32.098 32.500 -1.060 0.000 0.732 384 K HN 0.506 nan 8.250 nan 0.000 0.450 385 S N -0.774 114.824 115.700 -0.169 0.000 2.587 385 S HA 0.676 5.147 4.470 0.001 0.000 0.269 385 S C -1.031 173.660 174.600 0.151 0.000 1.154 385 S CA -0.805 57.360 58.200 -0.058 0.000 0.824 385 S CB 1.556 64.663 63.200 -0.155 0.000 1.118 385 S HN 0.265 nan 8.310 nan 0.000 0.462 386 c N 1.672 120.351 118.600 0.132 0.000 2.985 386 c HA 0.847 5.417 4.570 0.001 0.000 0.332 386 c C -0.386 173.718 174.090 0.024 0.000 1.164 386 c CA -0.790 55.587 56.329 0.081 0.000 1.347 386 c CB 1.043 43.611 42.510 0.096 0.000 1.764 386 c HN 1.121 nan 8.230 nan 0.000 0.489 387 M N 0.991 120.586 119.600 -0.008 0.000 2.727 387 M HA 0.844 5.324 4.480 0.001 0.000 0.300 387 M C 0.636 176.916 176.300 -0.034 0.000 1.246 387 M CA 0.346 55.632 55.300 -0.023 0.000 0.835 387 M CB 1.591 34.170 32.600 -0.035 0.000 1.755 387 M HN 1.207 nan 8.290 nan 0.000 0.473 388 G N 0.963 109.746 108.800 -0.029 0.000 2.137 388 G HA2 -0.130 3.830 3.960 0.001 0.000 0.237 388 G HA3 -0.130 3.830 3.960 0.001 0.000 0.237 388 G C -0.560 174.331 174.900 -0.016 0.000 1.002 388 G CA 0.181 45.262 45.100 -0.031 0.000 0.702 388 G HN 0.713 nan 8.290 nan 0.000 0.515 389 L N -0.104 121.117 121.223 -0.003 0.000 2.343 389 L HA 0.630 4.971 4.340 0.001 0.000 0.275 389 L C 0.804 177.682 176.870 0.013 0.000 1.056 389 L CA -1.050 53.793 54.840 0.006 0.000 0.804 389 L CB 1.344 43.413 42.059 0.016 0.000 1.203 389 L HN 0.343 nan 8.230 nan 0.000 0.440 390 K N 1.436 121.845 120.400 0.015 0.000 2.110 390 K HA 0.510 4.831 4.320 0.001 0.000 0.263 390 K C -0.639 175.977 176.600 0.026 0.000 0.975 390 K CA -0.830 55.472 56.287 0.024 0.000 0.895 390 K CB 1.429 33.943 32.500 0.024 0.000 1.060 390 K HN 0.324 nan 8.250 nan 0.000 0.448 391 I N 2.612 123.205 120.570 0.038 0.000 2.769 391 I HA 0.062 4.232 4.170 0.001 0.000 0.285 391 I C 1.260 177.395 176.117 0.030 0.000 1.173 391 I CA 1.335 62.661 61.300 0.042 0.000 1.389 391 I CB -0.193 37.858 38.000 0.085 0.000 1.404 391 I HN 1.063 nan 8.210 nan 0.000 0.544 392 G N 3.356 112.162 108.800 0.010 0.000 2.624 392 G HA2 -0.165 3.796 3.960 0.001 0.000 0.190 392 G HA3 -0.165 3.796 3.960 0.001 0.000 0.190 392 G C -0.067 174.825 174.900 -0.013 0.000 1.008 392 G CA -0.625 44.471 45.100 -0.006 0.000 0.731 392 G HN 0.500 nan 8.290 nan 0.000 0.478 393 D N 1.595 121.993 120.400 -0.004 0.000 2.362 393 D HA 0.547 5.187 4.640 0.001 0.000 0.242 393 D C 0.313 176.606 176.300 -0.013 0.000 1.132 393 D CA 0.782 54.776 54.000 -0.009 0.000 0.907 393 D CB 1.174 41.972 40.800 -0.004 0.000 1.195 393 D HN 0.116 nan 8.370 nan 0.000 0.429 394 T N 0.173 114.712 114.554 -0.025 0.000 2.856 394 T HA 0.610 4.960 4.350 0.001 0.000 0.283 394 T C -0.079 174.583 174.700 -0.063 0.000 1.008 394 T CA -0.769 61.310 62.100 -0.034 0.000 0.997 394 T CB 1.487 70.332 68.868 -0.037 0.000 0.992 394 T HN 0.263 nan 8.240 nan 0.000 0.454 395 V N -0.692 119.165 119.914 -0.096 0.000 3.160 395 V HA 0.995 5.116 4.120 0.001 0.000 0.310 395 V C -0.501 175.412 176.094 -0.302 0.000 1.181 395 V CA -0.875 61.297 62.300 -0.214 0.000 1.047 395 V CB 1.938 33.592 31.823 -0.283 0.000 1.068 395 V HN 0.847 nan 8.190 nan 0.000 0.441 396 S N -0.427 115.005 115.700 -0.447 0.000 2.599 396 S HA 0.813 5.284 4.470 0.001 0.000 0.287 396 S C -0.547 173.666 174.600 -0.645 0.000 1.105 396 S CA -0.446 57.520 58.200 -0.389 0.000 0.899 396 S CB 1.870 64.968 63.200 -0.171 0.000 1.100 396 S HN 0.685 nan 8.310 nan 0.000 0.482 397 F N 1.446 121.408 119.950 0.020 0.000 2.537 397 F HA 0.415 4.943 4.527 0.001 0.000 0.275 397 F C 1.087 176.877 175.800 -0.016 0.000 0.947 397 F CA 0.508 58.530 58.000 0.036 0.000 1.238 397 F CB 0.045 39.111 39.000 0.109 0.000 1.071 397 F HN 0.700 nan 8.300 nan 0.000 0.749 398 S N 1.323 117.059 115.700 0.059 0.000 3.576 398 S HA -0.131 4.340 4.470 0.001 0.000 0.658 398 S C -0.557 173.860 174.600 -0.305 0.000 0.560 398 S CA -0.342 57.779 58.200 -0.132 0.000 1.438 398 S CB -1.622 61.541 63.200 -0.062 0.000 0.937 398 S HN 0.259 nan 8.310 nan 0.000 0.998 399 I N 3.006 123.135 120.570 -0.736 0.000 3.501 399 I HA 0.724 4.894 4.170 0.001 0.000 0.297 399 I C 0.592 176.255 176.117 -0.756 0.000 1.199 399 I CA -0.761 59.923 61.300 -1.026 0.000 0.987 399 I CB 1.457 38.632 38.000 -1.375 0.000 1.365 399 I HN 0.722 nan 8.210 nan 0.000 0.574 400 E N 1.441 121.357 120.200 -0.473 0.000 2.466 400 E HA 0.479 4.830 4.350 0.001 0.000 0.308 400 E C -1.540 175.083 176.600 0.039 0.000 0.933 400 E CA -0.478 55.863 56.400 -0.099 0.000 0.800 400 E CB 1.400 31.038 29.700 -0.104 0.000 1.434 400 E HN 0.719 nan 8.360 nan 0.000 0.389 401 A N 4.091 127.054 122.820 0.238 0.000 2.313 401 A HA 0.635 4.956 4.320 0.001 0.000 0.261 401 A C -0.232 177.421 177.584 0.114 0.000 1.090 401 A CA -0.106 52.044 52.037 0.190 0.000 0.807 401 A CB 0.741 19.888 19.000 0.245 0.000 1.055 401 A HN 0.549 nan 8.150 nan 0.000 0.492 402 K N 0.218 120.679 120.400 0.103 0.000 2.487 402 K HA 0.355 4.676 4.320 0.001 0.000 0.307 402 K C -1.366 175.282 176.600 0.079 0.000 1.160 402 K CA -0.350 55.986 56.287 0.081 0.000 1.087 402 K CB 0.967 33.498 32.500 0.052 0.000 1.390 402 K HN 1.047 nan 8.250 nan 0.000 0.453 403 V N 1.160 121.128 119.914 0.090 0.000 2.539 403 V HA 0.609 4.729 4.120 0.001 0.000 0.292 403 V C -0.117 175.973 176.094 -0.006 0.000 1.045 403 V CA -0.764 61.560 62.300 0.040 0.000 0.945 403 V CB 1.518 33.348 31.823 0.011 0.000 0.993 403 V HN 0.811 nan 8.190 nan 0.000 0.464 404 R N 3.489 123.971 120.500 -0.029 0.000 2.825 404 R HA 0.543 4.884 4.340 0.001 0.000 0.261 404 R C 0.443 176.709 176.300 -0.056 0.000 1.341 404 R CA 0.622 56.709 56.100 -0.022 0.000 1.353 404 R CB -0.156 30.142 30.300 -0.002 0.000 1.191 404 R HN 1.895 nan 8.270 nan 0.000 0.590 405 G N 3.531 112.294 108.800 -0.061 0.000 3.129 405 G HA2 -0.256 3.705 3.960 0.001 0.000 0.385 405 G HA3 -0.256 3.705 3.960 0.001 0.000 0.385 405 G C 0.146 174.939 174.900 -0.178 0.000 1.046 405 G CA -0.330 44.724 45.100 -0.077 0.000 0.933 405 G HN 0.931 nan 8.290 nan 0.000 0.424 406 c N 4.875 123.345 118.600 -0.216 0.000 2.465 406 c HA 0.546 5.117 4.570 0.001 0.000 0.402 406 c C 0.040 173.912 174.090 -0.364 0.000 1.448 406 c CA -0.372 55.678 56.329 -0.465 0.000 1.589 406 c CB 0.236 42.626 42.510 -0.200 0.000 2.535 406 c HN 0.875 nan 8.230 nan 0.000 0.600 407 P HA 0.339 nan 4.420 nan 0.000 0.341 407 P C -0.927 176.326 177.300 -0.078 0.000 1.349 407 P CA 0.054 63.023 63.100 -0.219 0.000 0.830 407 P CB 0.448 32.029 31.700 -0.199 0.000 1.986 408 Q N -0.336 119.472 119.800 0.012 0.000 2.230 408 Q HA 0.313 4.653 4.340 0.001 0.000 0.248 408 Q C -0.182 175.919 176.000 0.169 0.000 0.915 408 Q CA -0.240 55.612 55.803 0.081 0.000 0.900 408 Q CB 0.216 28.986 28.738 0.053 0.000 1.229 408 Q HN 0.192 nan 8.270 nan 0.000 0.439 409 E N 1.755 122.052 120.200 0.161 0.000 2.409 409 E HA 0.369 4.720 4.350 0.001 0.000 0.257 409 E C -0.780 175.881 176.600 0.102 0.000 1.150 409 E CA 0.251 56.746 56.400 0.158 0.000 0.942 409 E CB 0.511 30.276 29.700 0.110 0.000 0.979 409 E HN 0.481 nan 8.360 nan 0.000 0.447 410 K N 0.677 121.118 120.400 0.069 0.000 3.191 410 K HA -0.032 4.289 4.320 0.001 0.000 0.325 410 K C 0.113 176.710 176.600 -0.006 0.000 1.105 410 K CA -0.356 55.953 56.287 0.036 0.000 0.843 410 K CB 0.105 32.638 32.500 0.055 0.000 1.452 410 K HN 0.303 nan 8.250 nan 0.000 0.393 411 E N 1.549 121.739 120.200 -0.016 0.000 2.118 411 E HA -0.052 4.299 4.350 0.001 0.000 0.195 411 E C -0.766 175.798 176.600 -0.059 0.000 0.992 411 E CA 1.802 58.174 56.400 -0.047 0.000 0.804 411 E CB -0.025 29.653 29.700 -0.035 0.000 0.741 411 E HN 0.408 nan 8.360 nan 0.000 0.458 412 K N 0.486 120.881 120.400 -0.008 0.000 5.163 412 K HA -0.145 4.175 4.320 0.001 0.000 0.320 412 K C -1.147 175.465 176.600 0.020 0.000 0.822 412 K CA 0.554 56.861 56.287 0.034 0.000 0.981 412 K CB -1.435 31.097 32.500 0.054 0.000 1.877 412 K HN 0.069 nan 8.250 nan 0.000 0.400 413 S N 2.757 118.472 115.700 0.025 0.000 2.498 413 S HA 0.655 5.125 4.470 0.001 0.000 0.317 413 S C -0.297 174.340 174.600 0.062 0.000 1.090 413 S CA -1.006 57.174 58.200 -0.033 0.000 1.089 413 S CB 0.579 63.736 63.200 -0.071 0.000 0.997 413 S HN 0.406 nan 8.310 nan 0.000 0.470 414 F N 0.259 120.199 119.950 -0.017 0.000 2.594 414 F HA 0.920 5.448 4.527 0.002 0.000 0.335 414 F C 0.143 175.948 175.800 0.008 0.000 1.058 414 F CA -0.898 57.104 58.000 0.003 0.000 0.981 414 F CB 0.765 39.777 39.000 0.020 0.000 1.289 414 F HN 0.483 nan 8.300 nan 0.000 0.490 415 T N -0.439 114.289 114.554 0.290 0.000 2.927 415 T HA 0.831 5.181 4.350 0.001 0.000 0.286 415 T C -0.938 173.938 174.700 0.295 0.000 1.040 415 T CA -0.765 61.420 62.100 0.142 0.000 1.010 415 T CB 1.670 70.582 68.868 0.073 0.000 1.177 415 T HN 0.745 nan 8.240 nan 0.000 0.546 416 I N 1.152 121.835 120.570 0.188 0.000 2.692 416 I HA 0.574 4.745 4.170 0.001 0.000 0.293 416 I C -1.079 175.115 176.117 0.128 0.000 1.200 416 I CA -0.994 60.433 61.300 0.211 0.000 1.036 416 I CB 2.358 40.542 38.000 0.307 0.000 1.258 416 I HN 0.994 nan 8.210 nan 0.000 0.421 417 K N 4.020 124.465 120.400 0.075 0.000 2.660 417 K HA 0.569 4.890 4.320 0.001 0.000 0.285 417 K C -3.376 173.189 176.600 -0.058 0.000 0.997 417 K CA -1.627 54.691 56.287 0.050 0.000 0.861 417 K CB 1.661 34.193 32.500 0.053 0.000 1.469 417 K HN 0.044 nan 8.250 nan 0.000 0.395 418 P HA 0.081 nan 4.420 nan 0.000 0.282 418 P C -0.435 176.567 177.300 -0.496 0.000 1.249 418 P CA -0.851 62.024 63.100 -0.376 0.000 0.806 418 P CB 0.938 32.281 31.700 -0.595 0.000 0.984 419 V N 0.448 120.088 119.914 -0.457 0.000 2.493 419 V HA 0.398 4.519 4.120 0.001 0.000 0.292 419 V C 1.338 177.177 176.094 -0.425 0.000 1.016 419 V CA 0.877 62.957 62.300 -0.366 0.000 1.097 419 V CB -0.775 30.873 31.823 -0.291 0.000 0.947 419 V HN 0.985 nan 8.190 nan 0.000 0.479 420 G N 3.524 112.167 108.800 -0.263 0.000 2.279 420 G HA2 -0.206 3.755 3.960 0.001 0.000 0.223 420 G HA3 -0.206 3.755 3.960 0.001 0.000 0.223 420 G C -0.174 174.803 174.900 0.128 0.000 1.015 420 G CA 0.067 45.089 45.100 -0.130 0.000 0.621 420 G HN 0.739 nan 8.290 nan 0.000 0.506 421 F N 1.328 121.256 119.950 -0.038 0.000 2.406 421 F HA 0.596 5.124 4.527 0.001 0.000 0.327 421 F C 1.509 177.310 175.800 0.000 0.000 1.153 421 F CA -0.640 57.374 58.000 0.024 0.000 1.218 421 F CB 1.278 40.306 39.000 0.047 0.000 1.215 421 F HN 0.064 nan 8.300 nan 0.000 0.570 422 K N 0.165 120.712 120.400 0.246 0.000 2.168 422 K HA -0.003 4.318 4.320 0.001 0.000 0.201 422 K C -0.254 176.420 176.600 0.123 0.000 1.049 422 K CA 0.297 56.665 56.287 0.135 0.000 0.974 422 K CB 0.081 32.663 32.500 0.137 0.000 0.792 422 K HN 0.574 nan 8.250 nan 0.000 0.463 423 D N 2.046 122.527 120.400 0.135 0.000 2.424 423 D HA 0.012 4.653 4.640 0.001 0.000 0.244 423 D C -0.215 176.159 176.300 0.124 0.000 1.134 423 D CA 0.563 54.623 54.000 0.099 0.000 0.881 423 D CB 1.319 42.154 40.800 0.058 0.000 1.191 423 D HN 0.257 nan 8.370 nan 0.000 0.445 424 S N 0.699 116.451 115.700 0.086 0.000 2.570 424 S HA 0.376 4.847 4.470 0.001 0.000 0.270 424 S C -0.906 173.731 174.600 0.063 0.000 1.149 424 S CA -1.114 57.138 58.200 0.087 0.000 0.837 424 S CB 1.594 64.836 63.200 0.070 0.000 1.124 424 S HN 0.258 nan 8.310 nan 0.000 0.465 425 L N 2.001 123.270 121.223 0.078 0.000 2.302 425 L HA 0.561 4.902 4.340 0.001 0.000 0.285 425 L C -1.299 175.559 176.870 -0.019 0.000 1.090 425 L CA -0.555 54.317 54.840 0.053 0.000 0.866 425 L CB -0.753 41.382 42.059 0.127 0.000 1.244 425 L HN 0.642 nan 8.230 nan 0.000 0.435 426 I N 5.914 126.441 120.570 -0.072 0.000 2.363 426 I HA 0.133 4.304 4.170 0.001 0.000 0.292 426 I C -0.091 175.853 176.117 -0.288 0.000 1.075 426 I CA 0.280 61.487 61.300 -0.155 0.000 1.333 426 I CB 0.885 38.820 38.000 -0.108 0.000 1.415 426 I HN 0.248 nan 8.210 nan 0.000 0.502 427 V N 7.477 127.062 119.914 -0.547 0.000 2.318 427 V HA 0.262 4.383 4.120 0.001 0.000 0.271 427 V C 0.126 175.798 176.094 -0.702 0.000 1.030 427 V CA -0.790 61.062 62.300 -0.746 0.000 0.844 427 V CB 0.718 31.833 31.823 -1.179 0.000 1.015 427 V HN 0.746 nan 8.190 nan 0.000 0.460 428 Q N 4.020 123.574 119.800 -0.410 0.000 2.360 428 Q HA 0.677 5.018 4.340 0.001 0.000 0.254 428 Q C -0.771 175.069 176.000 -0.266 0.000 0.975 428 Q CA -0.457 55.176 55.803 -0.284 0.000 0.912 428 Q CB 2.076 30.698 28.738 -0.193 0.000 1.212 428 Q HN 0.452 nan 8.270 nan 0.000 0.452 429 V N 3.364 123.138 119.914 -0.233 0.000 2.617 429 V HA 0.563 4.683 4.120 0.001 0.000 0.298 429 V C -0.626 175.197 176.094 -0.452 0.000 1.048 429 V CA 0.100 62.222 62.300 -0.297 0.000 0.964 429 V CB 1.954 33.655 31.823 -0.203 0.000 1.004 429 V HN 1.036 nan 8.190 nan 0.000 0.466 430 T N 5.682 119.903 114.554 -0.555 0.000 2.903 430 T HA 0.583 4.933 4.350 0.001 0.000 0.299 430 T C -1.189 173.113 174.700 -0.663 0.000 1.093 430 T CA -0.132 61.637 62.100 -0.551 0.000 1.002 430 T CB 1.466 70.188 68.868 -0.244 0.000 1.127 430 T HN 0.363 nan 8.240 nan 0.000 0.488 431 F N 1.565 121.524 119.950 0.014 0.000 2.366 431 F HA 0.300 4.829 4.527 0.002 0.000 0.366 431 F C 0.556 176.378 175.800 0.037 0.000 1.096 431 F CA -1.017 56.997 58.000 0.023 0.000 1.060 431 F CB 0.936 39.955 39.000 0.032 0.000 1.282 431 F HN 0.481 nan 8.300 nan 0.000 0.450 432 D N 3.995 124.502 120.400 0.178 0.000 2.338 432 D HA 0.235 4.876 4.640 0.001 0.000 0.255 432 D C 0.017 176.466 176.300 0.248 0.000 1.237 432 D CA 0.223 54.323 54.000 0.167 0.000 0.883 432 D CB 1.045 41.916 40.800 0.119 0.000 1.087 432 D HN 0.868 nan 8.370 nan 0.000 0.485 433 c N 1.657 120.392 118.600 0.225 0.000 4.005 433 c HA 0.375 4.946 4.570 0.001 0.000 0.365 433 c C -0.451 173.711 174.090 0.121 0.000 2.952 433 c CA -0.906 55.550 56.329 0.211 0.000 1.581 433 c CB -0.659 41.961 42.510 0.183 0.000 2.863 433 c HN 0.414 nan 8.230 nan 0.000 0.340 533 G N 0.595 109.382 108.800 -0.023 0.000 3.135 533 G HA2 0.644 4.605 3.960 0.001 0.000 0.278 533 G HA3 0.644 4.605 3.960 0.001 0.000 0.278 533 G C -1.597 173.285 174.900 -0.030 0.000 1.302 533 G CA -0.200 44.882 45.100 -0.031 0.000 0.880 533 G HN 0.076 nan 8.290 nan 0.000 0.574 534 E N -0.015 120.162 120.200 -0.038 0.000 2.934 534 E HA 0.171 4.521 4.350 0.001 0.000 0.343 534 E C 0.859 177.435 176.600 -0.041 0.000 1.148 534 E CA -0.172 56.208 56.400 -0.035 0.000 0.803 534 E CB 0.857 30.534 29.700 -0.039 0.000 1.541 534 E HN 0.409 nan 8.360 nan 0.000 0.380 535 M N 0.399 119.982 119.600 -0.029 0.000 2.706 535 M HA -0.115 4.366 4.480 0.001 0.000 0.253 535 M C 1.877 178.168 176.300 -0.015 0.000 1.063 535 M CA 0.523 55.809 55.300 -0.024 0.000 1.067 535 M CB -0.720 31.874 32.600 -0.010 0.000 1.423 535 M HN 0.562 nan 8.290 nan 0.000 0.530 536 c N -0.359 118.232 118.600 -0.015 0.000 2.403 536 c HA -0.008 4.563 4.570 0.001 0.000 0.318 536 c C 1.479 175.569 174.090 0.000 0.000 1.525 536 c CA 0.101 56.430 56.329 -0.001 0.000 1.696 536 c CB -2.554 39.953 42.510 -0.005 0.000 1.516 536 c HN 0.656 nan 8.230 nan 0.000 0.611 537 S N -1.771 113.919 115.700 -0.016 0.000 3.888 537 S HA 0.779 5.249 4.470 0.001 0.000 0.307 537 S C 0.376 174.968 174.600 -0.015 0.000 1.122 537 S CA 0.366 58.554 58.200 -0.019 0.000 1.197 537 S CB 0.761 63.942 63.200 -0.031 0.000 1.533 537 S HN 1.301 nan 8.310 nan 0.000 0.696 538 G N -1.009 107.791 108.800 0.001 0.000 4.616 538 G HA2 0.387 4.348 3.960 0.001 0.000 0.214 538 G HA3 0.387 4.348 3.960 0.001 0.000 0.214 538 G C 0.113 175.061 174.900 0.079 0.000 0.653 538 G CA 0.611 45.728 45.100 0.030 0.000 0.816 538 G HN 1.036 nan 8.290 nan 0.000 0.601 539 H N -0.606 118.436 119.070 -0.047 0.000 1.452 539 H HA -0.033 4.524 4.556 0.001 0.000 0.090 539 H C 1.464 176.726 175.328 -0.109 0.000 0.900 539 H CA 1.938 57.943 56.048 -0.071 0.000 1.901 539 H CB -1.171 28.551 29.762 -0.068 0.000 2.257 539 H HN 1.883 nan 8.280 nan 0.000 0.961 540 G N 1.027 109.743 108.800 -0.141 0.000 2.370 540 G HA2 -0.114 3.847 3.960 0.001 0.000 0.295 540 G HA3 -0.114 3.847 3.960 0.001 0.000 0.295 540 G C 0.484 175.173 174.900 -0.352 0.000 1.045 540 G CA 1.815 46.745 45.100 -0.283 0.000 1.199 540 G HN 0.985 nan 8.290 nan 0.000 0.513 541 Q N -3.443 116.144 119.800 -0.355 0.000 2.217 541 Q HA -0.300 4.040 4.340 0.001 0.000 0.170 541 Q C 1.558 177.473 176.000 -0.142 0.000 0.597 541 Q CA 1.845 57.468 55.803 -0.299 0.000 1.426 541 Q CB -2.147 26.256 28.738 -0.558 0.000 1.504 541 Q HN 1.756 nan 8.270 nan 0.000 0.860 542 c N 1.737 120.289 118.600 -0.081 0.000 2.657 542 c HA 0.418 4.989 4.570 0.001 0.000 0.404 542 c C 1.345 175.464 174.090 0.049 0.000 1.369 542 c CA 0.167 56.492 56.329 -0.005 0.000 1.665 542 c CB -0.306 42.207 42.510 0.004 0.000 2.453 542 c HN 0.457 nan 8.230 nan 0.000 0.599 543 S N 4.079 119.797 115.700 0.031 0.000 2.401 543 S HA 0.308 4.779 4.470 0.001 0.000 0.249 543 S C 0.697 175.311 174.600 0.023 0.000 1.237 543 S CA -0.419 57.801 58.200 0.033 0.000 1.000 543 S CB 0.159 63.374 63.200 0.024 0.000 1.013 543 S HN 0.974 nan 8.310 nan 0.000 0.494 544 c N -1.144 117.465 118.600 0.015 0.000 2.511 544 c HA 0.695 5.266 4.570 0.001 0.000 0.221 544 c C 2.138 176.236 174.090 0.012 0.000 2.963 544 c CA 0.654 56.988 56.329 0.007 0.000 1.934 544 c CB 0.201 42.710 42.510 -0.001 0.000 2.827 544 c HN 1.068 nan 8.230 nan 0.000 0.360 545 G N 0.276 109.080 108.800 0.007 0.000 4.825 545 G HA2 -0.270 3.691 3.960 0.001 0.000 0.224 545 G HA3 -0.270 3.691 3.960 0.001 0.000 0.224 545 G C 0.114 175.021 174.900 0.011 0.000 1.356 545 G CA 1.423 46.529 45.100 0.009 0.000 0.966 545 G HN 0.748 nan 8.290 nan 0.000 0.690 546 D N -2.450 117.962 120.400 0.020 0.000 3.783 546 D HA 0.290 4.931 4.640 0.001 0.000 0.249 546 D C -0.143 176.193 176.300 0.059 0.000 1.271 546 D CA 1.030 55.049 54.000 0.032 0.000 0.818 546 D CB -0.482 40.327 40.800 0.015 0.000 1.715 546 D HN 1.414 nan 8.370 nan 0.000 0.497 547 c N 1.425 120.057 118.600 0.052 0.000 4.059 547 c HA -0.161 4.410 4.570 0.001 0.000 0.323 547 c C -0.535 173.592 174.090 0.061 0.000 1.021 547 c CA -0.603 55.763 56.329 0.062 0.000 2.509 547 c CB -2.057 40.510 42.510 0.095 0.000 1.333 547 c HN 0.369 nan 8.230 nan 0.000 0.598 548 L N 5.470 126.719 121.223 0.044 0.000 2.259 548 L HA 0.356 4.697 4.340 0.001 0.000 0.288 548 L C 1.119 178.019 176.870 0.050 0.000 1.051 548 L CA -0.525 54.342 54.840 0.045 0.000 0.824 548 L CB 0.561 42.640 42.059 0.033 0.000 1.206 548 L HN 0.600 nan 8.230 nan 0.000 0.429 549 c N 1.914 120.555 118.600 0.068 0.000 2.745 549 c HA 0.085 4.656 4.570 0.001 0.000 0.387 549 c C 0.729 174.884 174.090 0.108 0.000 1.312 549 c CA -0.515 55.866 56.329 0.086 0.000 2.204 549 c CB -0.020 42.568 42.510 0.130 0.000 2.686 549 c HN 0.701 nan 8.230 nan 0.000 0.705 550 D N 0.070 120.566 120.400 0.161 0.000 2.437 550 D HA 0.342 4.983 4.640 0.001 0.000 0.259 550 D C -0.355 176.087 176.300 0.236 0.000 1.118 550 D CA -0.178 53.938 54.000 0.193 0.000 1.017 550 D CB 0.373 41.307 40.800 0.223 0.000 1.120 550 D HN 0.479 nan 8.370 nan 0.000 0.541 551 S N 0.982 116.774 115.700 0.154 0.000 2.546 551 S HA 0.069 4.540 4.470 0.001 0.000 0.290 551 S C -0.276 174.337 174.600 0.022 0.000 1.290 551 S CA 0.001 58.248 58.200 0.078 0.000 1.069 551 S CB 0.043 63.261 63.200 0.030 0.000 0.846 551 S HN 0.495 nan 8.310 nan 0.000 0.495 552 D N 0.397 120.769 120.400 -0.046 0.000 2.835 552 D HA -0.160 4.480 4.640 0.001 0.000 0.230 552 D C -1.112 174.936 176.300 -0.420 0.000 1.130 552 D CA 1.063 54.928 54.000 -0.224 0.000 0.738 552 D CB -1.389 39.224 40.800 -0.312 0.000 1.090 552 D HN 0.684 nan 8.370 nan 0.000 0.433 553 W N -0.868 120.442 121.300 0.017 0.000 3.439 553 W HA 0.432 5.093 4.660 0.001 0.000 0.323 553 W C 0.243 176.780 176.519 0.031 0.000 1.174 553 W CA -0.591 56.767 57.345 0.021 0.000 1.224 553 W CB 1.902 31.372 29.460 0.016 0.000 1.348 553 W HN -0.121 nan 8.180 nan 0.000 0.498 554 T N 0.925 115.680 114.554 0.335 0.000 2.669 554 T HA 0.823 5.174 4.350 0.001 0.000 0.283 554 T C -0.064 174.755 174.700 0.199 0.000 1.019 554 T CA 0.306 62.531 62.100 0.209 0.000 1.039 554 T CB 1.124 70.077 68.868 0.142 0.000 1.374 554 T HN 1.471 nan 8.240 nan 0.000 0.523 555 G N 0.053 108.948 108.800 0.159 0.000 2.712 555 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 555 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 555 G C 0.128 175.139 174.900 0.185 0.000 1.321 555 G CA 0.312 45.515 45.100 0.172 0.000 0.813 555 G HN 1.109 nan 8.290 nan 0.000 0.599 556 Y N 0.571 120.874 120.300 0.006 0.000 2.053 556 Y HA -0.273 4.278 4.550 0.001 0.000 0.277 556 Y C 2.637 178.445 175.900 -0.153 0.000 1.159 556 Y CA 2.489 60.509 58.100 -0.132 0.000 1.125 556 Y CB -0.116 38.173 38.460 -0.285 0.000 0.969 556 Y HN 0.601 nan 8.280 nan 0.000 0.492 557 Y N -1.076 119.126 120.300 -0.163 0.000 2.561 557 Y HA 0.037 4.588 4.550 0.001 0.000 0.291 557 Y C 1.431 177.245 175.900 -0.144 0.000 1.141 557 Y CA 0.482 58.416 58.100 -0.277 0.000 1.303 557 Y CB -0.297 37.998 38.460 -0.275 0.000 1.015 557 Y HN 0.299 nan 8.280 nan 0.000 0.547 558 c N 0.769 119.416 118.600 0.079 0.000 4.550 558 c HA -0.232 4.339 4.570 0.001 0.000 0.282 558 c C 2.033 176.089 174.090 -0.057 0.000 1.290 558 c CA 0.141 56.480 56.329 0.017 0.000 1.964 558 c CB -2.506 39.951 42.510 -0.089 0.000 1.284 558 c HN 0.651 nan 8.230 nan 0.000 0.758 559 N N 0.535 119.273 118.700 0.063 0.000 2.051 559 N HA -0.050 4.691 4.740 0.001 0.000 0.192 559 N C 1.118 176.746 175.510 0.198 0.000 1.049 559 N CA 1.539 54.623 53.050 0.056 0.000 0.845 559 N CB -0.174 38.379 38.487 0.111 0.000 1.031 559 N HN 0.795 nan 8.380 nan 0.000 0.425 560 c N 1.299 120.045 118.600 0.243 0.000 2.727 560 c HA 0.276 4.847 4.570 0.001 0.000 0.401 560 c C 0.734 175.066 174.090 0.403 0.000 1.294 560 c CA -0.087 56.405 56.329 0.272 0.000 2.134 560 c CB -0.521 42.103 42.510 0.189 0.000 2.724 560 c HN 0.551 nan 8.230 nan 0.000 0.677 561 T N 1.461 116.139 114.554 0.205 0.000 2.870 561 T HA 0.545 4.895 4.350 0.001 0.000 0.277 561 T C 0.723 175.395 174.700 -0.046 0.000 1.000 561 T CA 0.164 62.252 62.100 -0.019 0.000 0.982 561 T CB 1.349 70.103 68.868 -0.191 0.000 1.249 561 T HN 0.741 nan 8.240 nan 0.000 0.589 562 T N -2.452 112.011 114.554 -0.152 0.000 3.058 562 T HA 0.302 4.653 4.350 0.001 0.000 0.278 562 T C 0.363 174.997 174.700 -0.110 0.000 0.974 562 T CA -0.516 61.531 62.100 -0.088 0.000 0.893 562 T CB 0.051 68.872 68.868 -0.078 0.000 1.138 562 T HN 0.311 nan 8.240 nan 0.000 0.529 563 R N 1.771 122.178 120.500 -0.155 0.000 2.490 563 R HA 0.468 4.808 4.340 0.001 0.000 0.280 563 R C 1.363 177.608 176.300 -0.092 0.000 1.077 563 R CA 0.498 56.513 56.100 -0.142 0.000 1.065 563 R CB 0.770 30.965 30.300 -0.175 0.000 1.003 563 R HN 0.424 nan 8.270 nan 0.000 0.470 564 T N -3.247 111.253 114.554 -0.089 0.000 2.975 564 T HA -0.064 4.287 4.350 0.001 0.000 0.261 564 T C 1.199 175.861 174.700 -0.064 0.000 0.984 564 T CA 0.082 62.143 62.100 -0.065 0.000 0.911 564 T CB 0.109 68.939 68.868 -0.064 0.000 1.127 564 T HN 0.675 nan 8.240 nan 0.000 0.514 565 D N 2.089 122.441 120.400 -0.080 0.000 2.158 565 D HA -0.191 4.449 4.640 0.001 0.000 0.197 565 D C 1.544 177.813 176.300 -0.051 0.000 0.995 565 D CA 1.648 55.606 54.000 -0.071 0.000 0.846 565 D CB -0.914 39.837 40.800 -0.082 0.000 0.941 565 D HN 0.369 nan 8.370 nan 0.000 0.456 566 T N 0.465 114.990 114.554 -0.048 0.000 2.720 566 T HA -0.139 4.212 4.350 0.001 0.000 0.268 566 T C 1.787 176.475 174.700 -0.020 0.000 1.037 566 T CA 1.368 63.450 62.100 -0.030 0.000 1.144 566 T CB -0.551 68.301 68.868 -0.027 0.000 0.864 566 T HN 0.321 nan 8.240 nan 0.000 0.444 567 c N 3.407 121.993 118.600 -0.022 0.000 2.340 567 c HA 0.311 4.882 4.570 0.001 0.000 0.375 567 c C 1.814 175.893 174.090 -0.017 0.000 1.306 567 c CA -1.009 55.312 56.329 -0.013 0.000 1.622 567 c CB -2.783 39.721 42.510 -0.010 0.000 1.719 567 c HN 0.601 nan 8.230 nan 0.000 0.592 568 M N 1.678 121.265 119.600 -0.022 0.000 1.933 568 M HA 0.159 4.640 4.480 0.001 0.000 0.090 568 M C 0.687 176.977 176.300 -0.016 0.000 0.906 568 M CA 1.448 56.733 55.300 -0.024 0.000 0.451 568 M CB -0.723 31.862 32.600 -0.024 0.000 0.501 568 M HN 0.409 nan 8.290 nan 0.000 0.278 569 S N -3.035 112.656 115.700 -0.014 0.000 2.646 569 S HA 0.062 4.532 4.470 0.001 0.000 0.278 569 S C -0.019 174.576 174.600 -0.008 0.000 0.779 569 S CA -0.308 57.886 58.200 -0.010 0.000 1.198 569 S CB -0.537 62.658 63.200 -0.009 0.000 1.492 569 S HN 0.601 nan 8.310 nan 0.000 0.456 570 S N 1.479 117.176 115.700 -0.004 0.000 2.345 570 S HA -0.078 4.393 4.470 0.001 0.000 0.219 570 S C 1.572 176.174 174.600 0.003 0.000 1.031 570 S CA 1.735 59.936 58.200 0.001 0.000 0.984 570 S CB -0.939 62.263 63.200 0.004 0.000 0.874 570 S HN 1.002 nan 8.310 nan 0.000 0.451 571 N N 1.112 119.813 118.700 0.003 0.000 2.575 571 N HA 0.183 4.924 4.740 0.001 0.000 0.192 571 N C 1.077 176.582 175.510 -0.009 0.000 1.200 571 N CA 0.982 54.034 53.050 0.004 0.000 0.897 571 N CB -0.445 38.048 38.487 0.010 0.000 0.990 571 N HN 0.415 nan 8.380 nan 0.000 0.449 572 G N 0.081 108.873 108.800 -0.013 0.000 2.708 572 G HA2 -0.354 3.607 3.960 0.001 0.000 0.229 572 G HA3 -0.354 3.607 3.960 0.001 0.000 0.229 572 G C 0.032 174.914 174.900 -0.029 0.000 1.236 572 G CA 0.263 45.349 45.100 -0.024 0.000 0.749 572 G HN 0.453 nan 8.290 nan 0.000 0.515 573 L N 1.461 122.666 121.223 -0.029 0.000 2.593 573 L HA 0.274 4.615 4.340 0.001 0.000 0.287 573 L C 1.058 177.917 176.870 -0.020 0.000 1.243 573 L CA -0.535 54.286 54.840 -0.033 0.000 0.890 573 L CB 0.427 42.462 42.059 -0.040 0.000 1.134 573 L HN 0.520 nan 8.230 nan 0.000 0.502 574 L N 5.827 127.039 121.223 -0.018 0.000 2.584 574 L HA -0.010 4.331 4.340 0.001 0.000 0.272 574 L C 0.387 177.258 176.870 0.003 0.000 1.195 574 L CA 0.255 55.090 54.840 -0.009 0.000 0.920 574 L CB -0.212 41.844 42.059 -0.005 0.000 1.173 574 L HN 0.885 nan 8.230 nan 0.000 0.489 575 c N 3.379 121.981 118.600 0.003 0.000 4.167 575 c HA -0.213 4.358 4.570 0.001 0.000 0.302 575 c C 1.609 175.707 174.090 0.015 0.000 1.384 575 c CA 0.583 56.918 56.329 0.011 0.000 2.041 575 c CB -3.460 39.061 42.510 0.018 0.000 1.303 575 c HN 1.155 nan 8.230 nan 0.000 0.718 576 S N -2.618 113.088 115.700 0.009 0.000 3.002 576 S HA -0.296 4.175 4.470 0.001 0.000 0.289 576 S C 1.629 176.253 174.600 0.040 0.000 1.309 576 S CA 2.142 60.351 58.200 0.015 0.000 1.195 576 S CB -1.402 61.801 63.200 0.005 0.000 1.433 576 S HN 2.667 nan 8.310 nan 0.000 0.711 577 G N 0.296 109.120 108.800 0.040 0.000 2.137 577 G HA2 -0.306 3.655 3.960 0.001 0.000 0.237 577 G HA3 -0.306 3.655 3.960 0.001 0.000 0.237 577 G C 0.312 175.264 174.900 0.087 0.000 1.002 577 G CA 0.548 45.686 45.100 0.064 0.000 0.702 577 G HN 0.638 nan 8.290 nan 0.000 0.515 578 R N -0.793 119.747 120.500 0.066 0.000 2.541 578 R HA 0.423 4.764 4.340 0.001 0.000 0.332 578 R C 0.993 177.322 176.300 0.049 0.000 0.951 578 R CA 0.439 56.579 56.100 0.067 0.000 1.136 578 R CB 1.278 31.616 30.300 0.064 0.000 1.449 578 R HN 0.620 nan 8.270 nan 0.000 0.531 579 G N 0.852 109.677 108.800 0.043 0.000 2.682 579 G HA2 0.412 4.373 3.960 0.001 0.000 0.290 579 G HA3 0.412 4.373 3.960 0.001 0.000 0.290 579 G C -1.704 173.217 174.900 0.035 0.000 1.425 579 G CA -0.830 44.292 45.100 0.038 0.000 0.807 579 G HN 0.025 nan 8.290 nan 0.000 0.482 580 K N -1.274 119.147 120.400 0.034 0.000 2.221 580 K HA 0.628 4.949 4.320 0.001 0.000 0.258 580 K C -0.547 176.070 176.600 0.028 0.000 0.944 580 K CA -0.712 55.594 56.287 0.031 0.000 0.823 580 K CB 1.925 34.445 32.500 0.034 0.000 1.113 580 K HN 0.451 nan 8.250 nan 0.000 0.431 581 c N 2.652 121.266 118.600 0.023 0.000 2.627 581 c HA 0.150 4.721 4.570 0.001 0.000 0.404 581 c C -0.244 173.860 174.090 0.024 0.000 1.340 581 c CA 0.192 56.532 56.329 0.018 0.000 1.758 581 c CB -1.120 41.394 42.510 0.007 0.000 2.501 581 c HN 0.962 nan 8.230 nan 0.000 0.588 582 E N 4.105 124.322 120.200 0.028 0.000 2.279 582 E HA 0.344 4.695 4.350 0.001 0.000 0.252 582 E C -0.213 176.412 176.600 0.041 0.000 0.894 582 E CA -0.414 56.009 56.400 0.037 0.000 0.785 582 E CB 0.610 30.335 29.700 0.041 0.000 1.237 582 E HN 0.928 nan 8.360 nan 0.000 0.418 583 c N 3.957 122.584 118.600 0.045 0.000 3.896 583 c HA -0.186 4.385 4.570 0.001 0.000 0.300 583 c C 1.524 175.637 174.090 0.038 0.000 1.322 583 c CA 0.656 57.019 56.329 0.057 0.000 2.130 583 c CB -2.453 40.111 42.510 0.089 0.000 1.363 583 c HN 1.244 nan 8.230 nan 0.000 0.642 584 G N -0.142 108.663 108.800 0.009 0.000 2.779 584 G HA2 -0.260 3.700 3.960 0.001 0.000 0.230 584 G HA3 -0.260 3.700 3.960 0.001 0.000 0.230 584 G C 0.224 175.128 174.900 0.006 0.000 1.243 584 G CA 0.654 45.751 45.100 -0.006 0.000 0.769 584 G HN 2.116 nan 8.290 nan 0.000 0.516 585 S N 0.596 116.309 115.700 0.021 0.000 2.513 585 S HA 0.603 5.074 4.470 0.001 0.000 0.276 585 S C 0.489 175.104 174.600 0.025 0.000 1.254 585 S CA -0.218 57.996 58.200 0.024 0.000 1.053 585 S CB 1.647 64.865 63.200 0.030 0.000 0.958 585 S HN 0.844 nan 8.310 nan 0.000 0.491 586 c N 2.648 121.262 118.600 0.024 0.000 2.657 586 c HA 0.475 5.046 4.570 0.001 0.000 0.404 586 c C 0.445 174.555 174.090 0.034 0.000 1.291 586 c CA -0.531 55.814 56.329 0.027 0.000 2.218 586 c CB 0.001 42.526 42.510 0.025 0.000 2.687 586 c HN 0.757 nan 8.230 nan 0.000 0.634 587 V N 2.676 122.612 119.914 0.035 0.000 2.340 587 V HA 0.172 4.293 4.120 0.001 0.000 0.277 587 V C -0.056 176.062 176.094 0.040 0.000 1.017 587 V CA -0.480 61.844 62.300 0.039 0.000 0.820 587 V CB 0.458 32.303 31.823 0.038 0.000 1.028 587 V HN 1.117 nan 8.190 nan 0.000 0.436 588 c N 5.610 124.237 118.600 0.045 0.000 2.633 588 c HA 0.211 4.782 4.570 0.001 0.000 0.415 588 c C 1.282 175.398 174.090 0.043 0.000 1.393 588 c CA -0.585 55.771 56.329 0.044 0.000 1.700 588 c CB -0.897 41.643 42.510 0.049 0.000 2.541 588 c HN 0.699 nan 8.230 nan 0.000 0.603 589 I N 3.215 123.809 120.570 0.040 0.000 2.280 589 I HA 0.019 4.190 4.170 0.001 0.000 0.287 589 I C 1.170 177.311 176.117 0.039 0.000 1.121 589 I CA 0.360 61.682 61.300 0.038 0.000 1.798 589 I CB -0.639 37.383 38.000 0.037 0.000 1.489 589 I HN 0.756 nan 8.210 nan 0.000 0.805 590 Q N 5.647 125.472 119.800 0.042 0.000 3.186 590 Q HA -0.108 4.233 4.340 0.001 0.000 0.346 590 Q C -1.516 174.509 176.000 0.041 0.000 1.137 590 Q CA -0.236 55.595 55.803 0.046 0.000 1.199 590 Q CB 0.500 29.270 28.738 0.054 0.000 0.986 590 Q HN 0.416 nan 8.270 nan 0.000 0.426 591 P HA 0.220 nan 4.420 nan 0.000 0.261 591 P C -0.288 177.034 177.300 0.038 0.000 1.352 591 P CA 0.451 63.576 63.100 0.042 0.000 0.891 591 P CB 0.605 32.340 31.700 0.058 0.000 1.383 592 G N -0.123 108.702 108.800 0.042 0.000 2.327 592 G HA2 -0.041 3.920 3.960 0.001 0.000 0.159 592 G HA3 -0.041 3.920 3.960 0.001 0.000 0.159 592 G C -0.011 174.912 174.900 0.038 0.000 1.056 592 G CA -0.091 45.040 45.100 0.052 0.000 0.751 592 G HN 0.507 nan 8.290 nan 0.000 0.488 593 S N -0.757 114.960 115.700 0.027 0.000 2.667 593 S HA 0.992 5.463 4.470 0.001 0.000 0.292 593 S C -0.502 174.114 174.600 0.026 0.000 1.126 593 S CA -0.220 57.923 58.200 -0.096 0.000 0.881 593 S CB 2.794 65.922 63.200 -0.120 0.000 1.132 593 S HN 1.778 nan 8.310 nan 0.000 0.492 594 Y N -2.330 117.975 120.300 0.008 0.000 2.853 594 Y HA 0.878 5.429 4.550 0.001 0.000 0.326 594 Y C -0.101 175.802 175.900 0.005 0.000 1.384 594 Y CA -0.587 57.518 58.100 0.007 0.000 1.077 594 Y CB 0.379 38.842 38.460 0.005 0.000 1.395 594 Y HN 1.780 nan 8.280 nan 0.000 0.451 595 G N 0.579 109.552 108.800 0.288 0.000 2.576 595 G HA2 -0.048 3.913 3.960 0.001 0.000 0.686 595 G HA3 -0.048 3.913 3.960 0.001 0.000 0.686 595 G C -0.497 174.455 174.900 0.087 0.000 1.242 595 G CA -0.223 44.977 45.100 0.166 0.000 0.819 595 G HN 0.772 nan 8.290 nan 0.000 0.655 596 D N 0.083 120.522 120.400 0.064 0.000 2.191 596 D HA -0.204 4.437 4.640 0.001 0.000 0.190 596 D C 2.381 178.699 176.300 0.030 0.000 1.007 596 D CA 2.643 56.667 54.000 0.040 0.000 0.865 596 D CB -0.149 40.668 40.800 0.028 0.000 0.929 596 D HN 1.044 nan 8.370 nan 0.000 0.447 597 T N -2.948 111.618 114.554 0.020 0.000 3.215 597 T HA 0.317 4.667 4.350 0.001 0.000 0.271 597 T C 0.961 175.665 174.700 0.006 0.000 1.012 597 T CA -0.089 62.017 62.100 0.011 0.000 0.899 597 T CB -0.610 68.260 68.868 0.003 0.000 1.089 597 T HN 0.263 nan 8.240 nan 0.000 0.552 598 c N 2.546 121.150 118.600 0.008 0.000 4.326 598 c HA -0.197 4.374 4.570 0.001 0.000 0.284 598 c C 2.342 176.396 174.090 -0.060 0.000 1.419 598 c CA 0.646 56.965 56.329 -0.016 0.000 1.920 598 c CB -2.536 39.976 42.510 0.002 0.000 1.306 598 c HN 0.847 nan 8.230 nan 0.000 0.786 599 E N 1.966 122.134 120.200 -0.053 0.000 2.058 599 E HA -0.180 4.171 4.350 0.001 0.000 0.194 599 E C 0.622 177.141 176.600 -0.134 0.000 0.997 599 E CA 1.288 57.647 56.400 -0.069 0.000 0.801 599 E CB -0.152 29.522 29.700 -0.042 0.000 0.746 599 E HN 0.764 nan 8.360 nan 0.000 0.450 600 K N 0.003 120.282 120.400 -0.203 0.000 2.350 600 K HA 0.228 4.549 4.320 0.001 0.000 0.279 600 K C -0.464 175.818 176.600 -0.529 0.000 1.027 600 K CA 0.139 56.212 56.287 -0.357 0.000 0.969 600 K CB 1.116 33.354 32.500 -0.436 0.000 0.954 600 K HN 0.192 nan 8.250 nan 0.000 0.474 601 C N 5.594 124.659 119.300 -0.392 0.000 2.629 601 C HA 0.151 4.612 4.460 0.001 0.000 0.252 601 C C -1.609 173.270 174.990 -0.185 0.000 0.933 601 C CA -1.108 57.722 59.018 -0.313 0.000 0.891 601 C CB -0.011 27.604 27.740 -0.209 0.000 1.708 601 C HN 0.782 nan 8.230 nan 0.000 0.711 602 P HA -0.096 nan 4.420 nan 0.000 0.218 602 P C 1.155 178.427 177.300 -0.048 0.000 1.146 602 P CA 1.668 64.727 63.100 -0.068 0.000 0.813 602 P CB 0.032 31.728 31.700 -0.006 0.000 0.778 603 T N -1.158 113.377 114.554 -0.033 0.000 3.067 603 T HA 0.022 4.373 4.350 0.001 0.000 0.261 603 T C 1.155 175.841 174.700 -0.024 0.000 1.110 603 T CA 0.126 62.218 62.100 -0.012 0.000 1.113 603 T CB -0.719 68.160 68.868 0.018 0.000 0.917 603 T HN 0.143 nan 8.240 nan 0.000 0.499 604 C N 4.524 123.793 119.300 -0.052 0.000 2.662 604 C HA 0.220 4.681 4.460 0.001 0.000 0.420 604 C C -1.396 173.553 174.990 -0.068 0.000 1.314 604 C CA -1.761 57.228 59.018 -0.047 0.000 1.963 604 C CB -0.081 27.606 27.740 -0.089 0.000 2.686 604 C HN 0.422 nan 8.230 nan 0.000 0.609 605 P HA 0.058 nan 4.420 nan 0.000 0.262 605 P C -0.226 177.019 177.300 -0.091 0.000 1.182 605 P CA 0.260 63.356 63.100 -0.007 0.000 0.761 605 P CB 0.354 32.107 31.700 0.088 0.000 0.795 606 D N 2.272 122.621 120.400 -0.084 0.000 2.474 606 D HA -0.120 4.521 4.640 0.001 0.000 0.232 606 D C 1.276 177.494 176.300 -0.136 0.000 1.177 606 D CA 0.193 54.118 54.000 -0.124 0.000 0.876 606 D CB 0.236 40.988 40.800 -0.081 0.000 1.208 606 D HN 0.386 nan 8.370 nan 0.000 0.464 607 A N 1.804 124.498 122.820 -0.209 0.000 1.986 607 A HA -0.208 4.113 4.320 0.001 0.000 0.220 607 A C 2.184 179.772 177.584 0.006 0.000 1.171 607 A CA 1.357 53.275 52.037 -0.198 0.000 0.640 607 A CB -0.916 17.861 19.000 -0.372 0.000 0.811 607 A HN 0.755 nan 8.150 nan 0.000 0.451 608 c N -0.398 118.199 118.600 -0.006 0.000 2.452 608 c HA 0.029 4.599 4.570 0.001 0.000 0.300 608 c C 2.060 176.229 174.090 0.131 0.000 1.509 608 c CA 1.455 57.815 56.329 0.052 0.000 1.722 608 c CB -1.874 40.591 42.510 -0.075 0.000 1.591 608 c HN 0.659 nan 8.230 nan 0.000 0.592 609 T N -2.003 112.636 114.554 0.141 0.000 2.958 609 T HA 0.176 4.527 4.350 0.001 0.000 0.256 609 T C 1.183 176.003 174.700 0.199 0.000 0.983 609 T CA 0.004 62.185 62.100 0.135 0.000 0.924 609 T CB -0.044 68.894 68.868 0.116 0.000 1.136 609 T HN 0.430 nan 8.240 nan 0.000 0.506 610 F N 1.840 121.786 119.950 -0.006 0.000 2.220 610 F HA 0.116 4.644 4.527 0.001 0.000 0.290 610 F C 2.185 177.999 175.800 0.025 0.000 1.080 610 F CA 0.338 58.335 58.000 -0.004 0.000 1.318 610 F CB 0.361 39.351 39.000 -0.016 0.000 1.063 610 F HN -0.156 nan 8.300 nan 0.000 0.498 611 K N 0.798 121.359 120.400 0.268 0.000 2.288 611 K HA -0.135 4.186 4.320 0.001 0.000 0.201 611 K C 1.659 178.251 176.600 -0.013 0.000 1.048 611 K CA 0.658 57.062 56.287 0.195 0.000 0.956 611 K CB -0.596 32.126 32.500 0.369 0.000 0.746 611 K HN 0.245 nan 8.250 nan 0.000 0.461 612 K N 2.108 122.504 120.400 -0.007 0.000 2.059 612 K HA -0.231 4.090 4.320 0.001 0.000 0.212 612 K C 1.489 177.889 176.600 -0.333 0.000 1.050 612 K CA 1.993 58.083 56.287 -0.328 0.000 0.927 612 K CB -0.037 32.233 32.500 -0.384 0.000 0.714 612 K HN 0.199 nan 8.250 nan 0.000 0.447 613 E N -0.232 119.851 120.200 -0.196 0.000 2.333 613 E HA -0.181 4.169 4.350 0.001 0.000 0.198 613 E C 2.059 178.634 176.600 -0.042 0.000 1.007 613 E CA 1.013 57.326 56.400 -0.145 0.000 0.845 613 E CB -0.085 29.504 29.700 -0.184 0.000 0.766 613 E HN 0.390 nan 8.360 nan 0.000 0.507 614 c N -0.170 118.413 118.600 -0.028 0.000 2.505 614 c HA -0.033 4.538 4.570 0.001 0.000 0.279 614 c C 2.743 176.836 174.090 0.004 0.000 1.316 614 c CA 0.610 56.958 56.329 0.032 0.000 1.720 614 c CB -0.433 42.115 42.510 0.064 0.000 2.050 614 c HN 0.472 nan 8.230 nan 0.000 0.493 615 V N -0.744 119.114 119.914 -0.094 0.000 3.129 615 V HA 0.076 4.197 4.120 0.001 0.000 0.259 615 V C 1.716 177.951 176.094 0.234 0.000 1.116 615 V CA 1.850 64.153 62.300 0.006 0.000 1.127 615 V CB -0.666 31.065 31.823 -0.153 0.000 0.742 615 V HN 0.441 nan 8.190 nan 0.000 0.474 616 E N -0.885 119.377 120.200 0.104 0.000 2.479 616 E HA 0.119 4.470 4.350 0.001 0.000 0.193 616 E C 1.240 177.942 176.600 0.170 0.000 1.049 616 E CA 0.719 57.193 56.400 0.122 0.000 0.870 616 E CB 0.633 30.296 29.700 -0.062 0.000 0.944 616 E HN 0.775 nan 8.360 nan 0.000 0.492 617 c N -0.109 118.581 118.600 0.150 0.000 3.215 617 c HA 0.162 4.733 4.570 0.001 0.000 0.208 617 c C 1.851 176.013 174.090 0.120 0.000 2.291 617 c CA 0.048 56.452 56.329 0.124 0.000 1.285 617 c CB -0.178 42.398 42.510 0.109 0.000 1.320 617 c HN 0.161 nan 8.230 nan 0.000 0.759 618 K N 0.421 120.878 120.400 0.094 0.000 2.585 618 K HA -0.082 4.239 4.320 0.001 0.000 0.194 618 K C 0.625 177.252 176.600 0.044 0.000 1.037 618 K CA 0.953 57.278 56.287 0.063 0.000 0.964 618 K CB 0.004 32.537 32.500 0.054 0.000 0.787 618 K HN 0.241 nan 8.250 nan 0.000 0.488 619 K N -1.622 118.826 120.400 0.079 0.000 2.585 619 K HA 0.212 4.533 4.320 0.001 0.000 0.210 619 K C -0.099 176.362 176.600 -0.232 0.000 1.294 619 K CA 0.046 56.303 56.287 -0.049 0.000 1.025 619 K CB 0.734 33.233 32.500 -0.002 0.000 1.076 619 K HN -0.063 nan 8.250 nan 0.000 0.613 620 F N -0.575 119.393 119.950 0.029 0.000 2.964 620 F HA 0.144 4.671 4.527 0.001 0.000 0.371 620 F C -0.377 175.438 175.800 0.026 0.000 1.026 620 F CA -0.265 57.754 58.000 0.033 0.000 1.106 620 F CB 0.839 39.869 39.000 0.051 0.000 1.135 620 F HN -0.009 nan 8.300 nan 0.000 0.557 621 D N 1.780 122.285 120.400 0.175 0.000 2.746 621 D HA -0.241 4.400 4.640 0.001 0.000 0.241 621 D C 0.117 176.484 176.300 0.112 0.000 1.140 621 D CA 0.847 54.911 54.000 0.107 0.000 0.707 621 D CB -0.222 40.618 40.800 0.068 0.000 1.034 621 D HN 0.480 nan 8.370 nan 0.000 0.423 622 R N 0.297 120.868 120.500 0.118 0.000 2.762 622 R HA 0.565 4.906 4.340 0.001 0.000 0.271 622 R C -0.660 175.664 176.300 0.040 0.000 1.038 622 R CA -0.152 55.994 56.100 0.076 0.000 0.906 622 R CB 0.972 31.323 30.300 0.087 0.000 1.259 622 R HN 0.250 nan 8.270 nan 0.000 0.457 623 E N -0.497 119.705 120.200 0.004 0.000 8.957 623 E HA -0.157 4.194 4.350 0.001 0.000 0.219 623 E C -2.622 173.953 176.600 -0.042 0.000 1.448 623 E CA 0.324 56.703 56.400 -0.035 0.000 2.519 623 E CB -0.682 28.983 29.700 -0.059 0.000 1.189 623 E HN 0.565 nan 8.360 nan 0.000 0.444 624 P HA -0.077 nan 4.420 nan 0.000 0.274 624 P C 0.289 177.574 177.300 -0.026 0.000 1.260 624 P CA 0.217 63.239 63.100 -0.128 0.000 0.793 624 P CB 0.245 31.770 31.700 -0.292 0.000 1.048 625 Y N -2.838 117.390 120.300 -0.120 0.000 3.297 625 Y HA -0.264 4.287 4.550 0.002 0.000 0.442 625 Y C 1.996 177.850 175.900 -0.077 0.000 1.265 625 Y CA 1.545 59.563 58.100 -0.136 0.000 2.337 625 Y CB -2.756 35.620 38.460 -0.140 0.000 0.876 625 Y HN 0.364 nan 8.280 nan 0.000 0.487 626 M N -0.209 119.458 119.600 0.112 0.000 2.388 626 M HA 0.037 4.517 4.480 0.001 0.000 0.265 626 M C 1.561 177.884 176.300 0.039 0.000 1.088 626 M CA 2.468 57.806 55.300 0.062 0.000 1.134 626 M CB -0.202 32.431 32.600 0.055 0.000 1.384 626 M HN 0.131 nan 8.290 nan 0.000 0.447 627 T N 0.312 114.886 114.554 0.033 0.000 2.937 627 T HA 0.033 4.384 4.350 0.001 0.000 0.260 627 T C 1.106 175.814 174.700 0.014 0.000 1.051 627 T CA 1.416 63.524 62.100 0.013 0.000 1.141 627 T CB -0.116 68.748 68.868 -0.006 0.000 0.879 627 T HN 0.462 nan 8.240 nan 0.000 0.459 628 E N 1.185 121.405 120.200 0.033 0.000 2.465 628 E HA 0.247 4.598 4.350 0.001 0.000 0.191 628 E C 0.655 177.249 176.600 -0.010 0.000 1.053 628 E CA -0.189 56.220 56.400 0.016 0.000 0.869 628 E CB -0.294 29.426 29.700 0.033 0.000 0.977 628 E HN 0.388 nan 8.360 nan 0.000 0.483 629 N N -0.316 118.383 118.700 -0.003 0.000 2.900 629 N HA -0.189 4.551 4.740 0.001 0.000 0.240 629 N C -0.187 175.293 175.510 -0.050 0.000 0.953 629 N CA 1.299 54.339 53.050 -0.016 0.000 0.950 629 N CB -1.064 37.414 38.487 -0.014 0.000 1.102 629 N HN 0.313 nan 8.380 nan 0.000 0.593 630 T N -2.442 112.039 114.554 -0.121 0.000 3.540 630 T HA 0.409 4.760 4.350 0.001 0.000 0.269 630 T C 0.805 175.282 174.700 -0.371 0.000 1.481 630 T CA -0.470 61.471 62.100 -0.265 0.000 1.224 630 T CB 0.372 68.910 68.868 -0.549 0.000 1.192 630 T HN 0.349 nan 8.240 nan 0.000 0.756 631 c N 1.962 120.486 118.600 -0.126 0.000 2.700 631 c HA 0.243 4.814 4.570 0.001 0.000 0.297 631 c C 1.920 176.004 174.090 -0.009 0.000 1.293 631 c CA 0.072 56.373 56.329 -0.047 0.000 1.756 631 c CB -0.688 41.841 42.510 0.032 0.000 2.210 631 c HN 0.811 nan 8.230 nan 0.000 0.553 632 N N 1.120 119.816 118.700 -0.006 0.000 2.335 632 N HA -0.051 4.689 4.740 0.001 0.000 0.197 632 N C 1.793 177.314 175.510 0.019 0.000 1.045 632 N CA 0.562 53.621 53.050 0.014 0.000 0.928 632 N CB -0.711 37.782 38.487 0.011 0.000 1.118 632 N HN 0.303 nan 8.380 nan 0.000 0.471 633 R N 0.497 121.007 120.500 0.016 0.000 2.153 633 R HA -0.181 4.160 4.340 0.001 0.000 0.252 633 R C 1.794 178.078 176.300 -0.027 0.000 1.158 633 R CA 1.496 57.597 56.100 0.002 0.000 0.975 633 R CB -0.528 29.781 30.300 0.015 0.000 0.871 633 R HN 0.325 nan 8.270 nan 0.000 0.450 634 Y N -1.091 119.108 120.300 -0.168 0.000 2.159 634 Y HA 0.011 4.562 4.550 0.001 0.000 0.285 634 Y C 1.341 177.188 175.900 -0.089 0.000 1.106 634 Y CA 1.218 59.196 58.100 -0.203 0.000 1.095 634 Y CB -0.512 37.630 38.460 -0.531 0.000 1.015 634 Y HN 0.072 nan 8.280 nan 0.000 0.491 635 c N 3.844 122.511 118.600 0.111 0.000 3.585 635 c HA 0.075 4.646 4.570 0.001 0.000 0.575 635 c C 1.837 175.978 174.090 0.085 0.000 1.068 635 c CA -0.428 55.973 56.329 0.120 0.000 1.113 635 c CB -2.013 40.575 42.510 0.130 0.000 1.381 635 c HN 0.351 nan 8.230 nan 0.000 0.635 636 R N 1.392 121.932 120.500 0.067 0.000 2.170 636 R HA -0.090 4.251 4.340 0.001 0.000 0.242 636 R C 0.383 176.724 176.300 0.069 0.000 1.145 636 R CA 0.934 57.065 56.100 0.052 0.000 0.984 636 R CB -0.560 29.762 30.300 0.036 0.000 0.869 636 R HN 0.729 nan 8.270 nan 0.000 0.455 637 D N 1.635 122.094 120.400 0.098 0.000 2.548 637 D HA -0.078 4.562 4.640 0.001 0.000 0.231 637 D C 0.232 176.578 176.300 0.078 0.000 1.142 637 D CA 0.702 54.764 54.000 0.102 0.000 0.866 637 D CB 0.357 41.250 40.800 0.154 0.000 1.190 637 D HN 0.228 nan 8.370 nan 0.000 0.469 638 E N 1.898 122.137 120.200 0.066 0.000 2.028 638 E HA 0.364 4.715 4.350 0.001 0.000 0.266 638 E C -0.578 176.067 176.600 0.075 0.000 0.962 638 E CA -0.709 55.727 56.400 0.061 0.000 0.784 638 E CB 0.345 30.077 29.700 0.052 0.000 1.114 638 E HN 0.216 nan 8.360 nan 0.000 0.414 639 I N 1.568 122.181 120.570 0.072 0.000 3.378 639 I HA 0.225 4.396 4.170 0.001 0.000 0.284 639 I C 0.595 176.748 176.117 0.060 0.000 1.157 639 I CA 0.074 61.423 61.300 0.082 0.000 1.193 639 I CB 0.195 38.230 38.000 0.060 0.000 1.461 639 I HN 0.633 nan 8.210 nan 0.000 0.674 640 E N 0.586 120.816 120.200 0.050 0.000 2.419 640 E HA 0.099 4.450 4.350 0.001 0.000 0.285 640 E C -1.730 174.849 176.600 -0.035 0.000 1.079 640 E CA -0.460 55.929 56.400 -0.019 0.000 0.864 640 E CB 1.512 31.170 29.700 -0.071 0.000 1.216 640 E HN 0.472 nan 8.360 nan 0.000 0.428 641 S N 2.668 118.332 115.700 -0.061 0.000 2.439 641 S HA 0.387 4.858 4.470 0.001 0.000 0.282 641 S C -0.106 174.437 174.600 -0.094 0.000 1.170 641 S CA -0.469 57.702 58.200 -0.048 0.000 1.054 641 S CB 0.046 63.218 63.200 -0.047 0.000 0.956 641 S HN 0.317 nan 8.310 nan 0.000 0.490 642 V N 5.660 125.530 119.914 -0.074 0.000 2.508 642 V HA 0.216 4.337 4.120 0.001 0.000 0.281 642 V C 0.208 176.274 176.094 -0.046 0.000 1.041 642 V CA -0.752 61.483 62.300 -0.110 0.000 1.016 642 V CB 0.024 31.834 31.823 -0.021 0.000 0.984 642 V HN 0.798 nan 8.190 nan 0.000 0.478 643 K N 5.653 126.016 120.400 -0.061 0.000 2.253 643 K HA 0.111 4.432 4.320 0.001 0.000 0.273 643 K C 0.669 177.266 176.600 -0.004 0.000 1.118 643 K CA 0.367 56.636 56.287 -0.031 0.000 1.100 643 K CB -0.659 31.820 32.500 -0.035 0.000 0.932 643 K HN 0.796 nan 8.250 nan 0.000 0.433 644 E N -0.338 119.867 120.200 0.008 0.000 3.229 644 E HA -0.319 4.032 4.350 0.001 0.000 0.354 644 E C 0.463 177.087 176.600 0.041 0.000 1.487 644 E CA 1.578 57.992 56.400 0.023 0.000 1.617 644 E CB -1.273 28.438 29.700 0.018 0.000 1.768 644 E HN 0.540 nan 8.360 nan 0.000 0.497 645 L N 1.414 122.664 121.223 0.045 0.000 2.503 645 L HA 0.212 4.553 4.340 0.001 0.000 0.287 645 L C 0.919 177.842 176.870 0.089 0.000 1.252 645 L CA -0.210 54.668 54.840 0.064 0.000 0.835 645 L CB -0.014 42.078 42.059 0.056 0.000 1.099 645 L HN 0.482 nan 8.230 nan 0.000 0.516 646 K N 1.135 121.611 120.400 0.127 0.000 2.502 646 K HA 0.305 4.625 4.320 0.001 0.000 0.256 646 K C -0.589 176.139 176.600 0.213 0.000 1.053 646 K CA -0.458 55.953 56.287 0.206 0.000 1.002 646 K CB 0.097 32.757 32.500 0.267 0.000 1.384 646 K HN 0.841 nan 8.250 nan 0.000 0.537 647 D N -0.755 119.833 120.400 0.314 0.000 2.383 647 D HA -0.107 4.534 4.640 0.001 0.000 0.233 647 D C 0.578 176.969 176.300 0.152 0.000 1.233 647 D CA 1.423 55.562 54.000 0.230 0.000 0.881 647 D CB 0.676 41.569 40.800 0.155 0.000 1.212 647 D HN 0.640 nan 8.370 nan 0.000 0.467 648 T N -0.899 113.734 114.554 0.132 0.000 2.999 648 T HA 0.244 4.595 4.350 0.001 0.000 0.247 648 T C 1.334 176.107 174.700 0.121 0.000 1.012 648 T CA 0.031 62.193 62.100 0.103 0.000 1.048 648 T CB -0.414 68.501 68.868 0.078 0.000 1.020 648 T HN 0.463 nan 8.240 nan 0.000 0.478 649 G N 2.532 111.437 108.800 0.174 0.000 2.209 649 G HA2 0.182 4.143 3.960 0.001 0.000 0.271 649 G HA3 0.182 4.143 3.960 0.001 0.000 0.271 649 G C -0.042 174.989 174.900 0.218 0.000 1.111 649 G CA -0.417 44.835 45.100 0.252 0.000 1.092 649 G HN 0.481 nan 8.290 nan 0.000 0.416 650 K N 2.602 123.057 120.400 0.091 0.000 2.737 650 K HA 0.106 4.427 4.320 0.001 0.000 0.251 650 K C -0.336 176.226 176.600 -0.064 0.000 1.280 650 K CA 0.118 56.403 56.287 -0.002 0.000 1.219 650 K CB 0.315 32.818 32.500 0.005 0.000 1.587 650 K HN 0.535 nan 8.250 nan 0.000 0.279 651 D N 0.095 120.374 120.400 -0.203 0.000 2.594 651 D HA 0.152 4.793 4.640 0.001 0.000 0.256 651 D C -0.551 175.370 176.300 -0.631 0.000 1.393 651 D CA -0.155 53.679 54.000 -0.276 0.000 0.797 651 D CB 1.133 41.897 40.800 -0.060 0.000 1.110 651 D HN 0.322 nan 8.370 nan 0.000 0.495 652 A N -0.093 122.313 122.820 -0.691 0.000 2.588 652 A HA 0.724 5.045 4.320 0.001 0.000 0.290 652 A C -1.653 175.769 177.584 -0.269 0.000 1.136 652 A CA -0.756 50.916 52.037 -0.609 0.000 0.681 652 A CB 1.425 19.735 19.000 -1.151 0.000 1.282 652 A HN 0.067 nan 8.150 nan 0.000 0.421 653 V N 1.007 120.847 119.914 -0.124 0.000 2.630 653 V HA 0.649 4.770 4.120 0.001 0.000 0.305 653 V C -1.190 174.864 176.094 -0.066 0.000 1.046 653 V CA -0.724 61.529 62.300 -0.078 0.000 0.934 653 V CB 1.586 33.371 31.823 -0.064 0.000 1.003 653 V HN 1.085 nan 8.190 nan 0.000 0.451 654 N N 4.985 123.633 118.700 -0.088 0.000 2.372 654 N HA 0.626 5.367 4.740 0.001 0.000 0.291 654 N C -0.495 174.888 175.510 -0.210 0.000 1.024 654 N CA -0.545 52.432 53.050 -0.121 0.000 0.873 654 N CB 1.408 39.868 38.487 -0.044 0.000 1.206 654 N HN 0.669 nan 8.380 nan 0.000 0.486 655 c N 0.265 118.607 118.600 -0.431 0.000 2.662 655 c HA 0.882 5.453 4.570 0.001 0.000 0.408 655 c C 0.020 173.977 174.090 -0.222 0.000 2.199 655 c CA -0.355 55.697 56.329 -0.461 0.000 1.790 655 c CB 0.952 42.837 42.510 -1.042 0.000 2.162 655 c HN 0.808 nan 8.230 nan 0.000 0.448 656 T N -0.075 114.453 114.554 -0.044 0.000 3.230 656 T HA 0.503 4.854 4.350 0.001 0.000 0.390 656 T C -1.590 173.276 174.700 0.277 0.000 1.761 656 T CA -0.425 61.744 62.100 0.115 0.000 1.129 656 T CB 0.788 69.679 68.868 0.038 0.000 1.583 656 T HN 0.943 nan 8.240 nan 0.000 0.480 657 Y N -0.553 119.801 120.300 0.091 0.000 2.741 657 Y HA 0.731 5.282 4.550 0.001 0.000 0.339 657 Y C -2.003 173.919 175.900 0.037 0.000 1.226 657 Y CA -1.371 56.770 58.100 0.070 0.000 1.072 657 Y CB 1.198 39.723 38.460 0.108 0.000 1.331 657 Y HN 0.418 nan 8.280 nan 0.000 0.453 658 K N 2.886 123.348 120.400 0.103 0.000 2.235 658 K HA 0.321 4.642 4.320 0.001 0.000 0.266 658 K C -0.943 175.693 176.600 0.060 0.000 0.980 658 K CA -0.919 55.350 56.287 -0.030 0.000 0.849 658 K CB 1.074 33.580 32.500 0.010 0.000 1.098 658 K HN 0.821 nan 8.250 nan 0.000 0.445 659 N N 1.135 119.772 118.700 -0.104 0.000 2.413 659 N HA -0.043 4.698 4.740 0.001 0.000 0.266 659 N C 0.842 176.326 175.510 -0.042 0.000 1.238 659 N CA -0.453 52.565 53.050 -0.054 0.000 0.972 659 N CB 0.515 38.831 38.487 -0.285 0.000 1.210 659 N HN 0.654 nan 8.380 nan 0.000 0.547 660 E N -0.504 119.671 120.200 -0.042 0.000 2.136 660 E HA -0.309 4.042 4.350 0.001 0.000 0.202 660 E C -0.036 176.554 176.600 -0.018 0.000 1.019 660 E CA 1.757 58.143 56.400 -0.022 0.000 0.819 660 E CB -0.196 29.493 29.700 -0.017 0.000 0.739 660 E HN 0.556 nan 8.360 nan 0.000 0.458 661 D N 0.625 121.008 120.400 -0.028 0.000 2.378 661 D HA -0.083 4.558 4.640 0.001 0.000 0.227 661 D C -0.213 176.078 176.300 -0.016 0.000 1.012 661 D CA 0.971 54.965 54.000 -0.010 0.000 0.905 661 D CB -0.229 40.577 40.800 0.009 0.000 0.895 661 D HN 0.251 nan 8.370 nan 0.000 0.532 662 D N -0.855 119.529 120.400 -0.027 0.000 2.870 662 D HA -0.162 4.479 4.640 0.001 0.000 0.228 662 D C -0.626 175.653 176.300 -0.035 0.000 1.147 662 D CA 0.427 54.413 54.000 -0.024 0.000 0.757 662 D CB -1.828 38.966 40.800 -0.010 0.000 1.091 662 D HN 0.276 nan 8.370 nan 0.000 0.429 663 c N -0.141 118.420 118.600 -0.064 0.000 2.454 663 c HA 0.723 5.294 4.570 0.001 0.000 0.336 663 c C 0.630 174.636 174.090 -0.141 0.000 1.189 663 c CA -1.055 55.231 56.329 -0.071 0.000 1.877 663 c CB 1.723 44.207 42.510 -0.044 0.000 2.348 663 c HN 0.288 nan 8.230 nan 0.000 0.508 664 V N 1.605 121.451 119.914 -0.114 0.000 2.334 664 V HA 0.526 4.647 4.120 0.001 0.000 0.267 664 V C -0.206 175.785 176.094 -0.171 0.000 1.040 664 V CA -0.271 61.937 62.300 -0.153 0.000 0.866 664 V CB 0.192 31.973 31.823 -0.070 0.000 1.019 664 V HN 0.582 nan 8.190 nan 0.000 0.468 665 V N 6.185 125.870 119.914 -0.383 0.000 2.546 665 V HA 0.530 4.651 4.120 0.001 0.000 0.284 665 V C 0.474 176.575 176.094 0.012 0.000 1.050 665 V CA -0.475 61.675 62.300 -0.251 0.000 0.981 665 V CB 1.039 32.493 31.823 -0.616 0.000 0.990 665 V HN 0.895 nan 8.190 nan 0.000 0.474 666 R N 4.694 125.292 120.500 0.163 0.000 2.451 666 R HA 0.599 4.939 4.340 0.001 0.000 0.307 666 R C -0.970 175.535 176.300 0.340 0.000 0.965 666 R CA -0.227 55.988 56.100 0.192 0.000 0.865 666 R CB 1.975 32.336 30.300 0.102 0.000 1.174 666 R HN 0.757 nan 8.270 nan 0.000 0.455 667 F N -0.343 119.726 119.950 0.197 0.000 2.814 667 F HA 0.625 5.153 4.527 0.001 0.000 0.353 667 F C -0.875 175.046 175.800 0.202 0.000 1.177 667 F CA -1.218 56.913 58.000 0.219 0.000 1.036 667 F CB 1.771 40.929 39.000 0.262 0.000 1.455 667 F HN 0.261 nan 8.300 nan 0.000 0.520 668 Q N 0.873 120.938 119.800 0.443 0.000 2.268 668 Q HA 0.286 4.627 4.340 0.001 0.000 0.266 668 Q C -2.461 173.732 176.000 0.321 0.000 1.006 668 Q CA -0.761 55.176 55.803 0.225 0.000 0.824 668 Q CB 2.540 31.381 28.738 0.171 0.000 1.306 668 Q HN 0.867 nan 8.270 nan 0.000 0.424 669 Y N 4.086 124.461 120.300 0.126 0.000 2.353 669 Y HA 0.423 4.974 4.550 0.001 0.000 0.340 669 Y C -1.749 174.163 175.900 0.020 0.000 0.972 669 Y CA -0.184 57.998 58.100 0.137 0.000 1.157 669 Y CB 0.646 39.187 38.460 0.135 0.000 1.157 669 Y HN 0.687 nan 8.280 nan 0.000 0.495 670 Y N 3.856 123.916 120.300 -0.399 0.000 2.659 670 Y HA 0.540 5.091 4.550 0.001 0.000 0.333 670 Y C -1.126 174.565 175.900 -0.349 0.000 1.064 670 Y CA -1.210 56.717 58.100 -0.288 0.000 1.141 670 Y CB 1.838 40.096 38.460 -0.336 0.000 1.316 670 Y HN 0.631 nan 8.280 nan 0.000 0.509 671 E N 0.883 121.253 120.200 0.284 0.000 3.311 671 E HA 0.270 4.621 4.350 0.001 0.000 0.384 671 E C -2.083 174.627 176.600 0.182 0.000 0.981 671 E CA -0.594 55.890 56.400 0.140 0.000 0.754 671 E CB 0.334 30.080 29.700 0.077 0.000 1.369 671 E HN 0.603 nan 8.360 nan 0.000 0.448 672 D N 1.453 121.930 120.400 0.128 0.000 3.093 672 D HA 0.316 4.956 4.640 0.001 0.000 0.200 672 D C 1.180 177.518 176.300 0.063 0.000 1.344 672 D CA 0.110 54.171 54.000 0.101 0.000 1.133 672 D CB -0.048 40.816 40.800 0.108 0.000 1.188 672 D HN 0.173 nan 8.370 nan 0.000 0.583 673 S N -1.100 114.629 115.700 0.049 0.000 2.412 673 S HA -0.260 4.210 4.470 0.001 0.000 0.311 673 S C 1.006 175.637 174.600 0.050 0.000 1.182 673 S CA 2.150 60.377 58.200 0.045 0.000 1.365 673 S CB -0.959 62.262 63.200 0.035 0.000 1.295 673 S HN 0.460 nan 8.310 nan 0.000 0.463 674 S N 0.106 115.835 115.700 0.048 0.000 2.312 674 S HA 0.517 4.988 4.470 0.001 0.000 0.211 674 S C 0.150 174.781 174.600 0.053 0.000 1.315 674 S CA 0.207 58.440 58.200 0.054 0.000 1.267 674 S CB 0.608 63.841 63.200 0.055 0.000 1.072 674 S HN 1.084 nan 8.310 nan 0.000 0.490 675 G N 2.684 111.517 108.800 0.055 0.000 2.326 675 G HA2 -0.253 3.708 3.960 0.001 0.000 0.286 675 G HA3 -0.253 3.708 3.960 0.001 0.000 0.286 675 G C -0.053 174.876 174.900 0.048 0.000 1.096 675 G CA 0.148 45.281 45.100 0.055 0.000 1.003 675 G HN 0.586 nan 8.290 nan 0.000 0.503 676 K N -0.525 119.900 120.400 0.042 0.000 2.120 676 K HA 0.621 4.942 4.320 0.001 0.000 0.245 676 K C 1.019 177.615 176.600 -0.007 0.000 1.024 676 K CA 0.208 56.507 56.287 0.020 0.000 0.906 676 K CB 0.385 32.892 32.500 0.011 0.000 1.051 676 K HN 0.967 nan 8.250 nan 0.000 0.491 677 S N 1.638 117.301 115.700 -0.062 0.000 2.703 677 S HA 0.182 4.653 4.470 0.001 0.000 0.188 677 S C -0.198 174.282 174.600 -0.200 0.000 0.797 677 S CA -0.786 57.286 58.200 -0.214 0.000 0.888 677 S CB -1.038 62.116 63.200 -0.077 0.000 1.605 677 S HN 0.490 nan 8.310 nan 0.000 0.553 678 I N 1.583 122.092 120.570 -0.101 0.000 2.754 678 I HA 0.217 4.388 4.170 0.001 0.000 0.285 678 I C 0.241 176.390 176.117 0.053 0.000 1.166 678 I CA -0.200 61.126 61.300 0.043 0.000 1.417 678 I CB 0.679 38.807 38.000 0.214 0.000 1.382 678 I HN 0.358 nan 8.210 nan 0.000 0.588 679 L N 7.027 128.365 121.223 0.193 0.000 2.603 679 L HA 0.312 4.653 4.340 0.001 0.000 0.242 679 L C -0.517 176.592 176.870 0.399 0.000 1.169 679 L CA -0.396 54.609 54.840 0.275 0.000 1.029 679 L CB -0.262 41.914 42.059 0.194 0.000 1.361 679 L HN 0.476 nan 8.230 nan 0.000 0.439 680 Y N 1.149 121.560 120.300 0.185 0.000 2.815 680 Y HA -0.033 4.518 4.550 0.001 0.000 0.346 680 Y C 0.480 176.521 175.900 0.236 0.000 1.267 680 Y CA -0.580 57.623 58.100 0.170 0.000 1.604 680 Y CB 0.398 38.951 38.460 0.155 0.000 1.218 680 Y HN 0.116 nan 8.280 nan 0.000 0.527 681 V N 5.825 125.905 119.914 0.277 0.000 2.334 681 V HA 0.093 4.214 4.120 0.001 0.000 0.281 681 V C -0.047 176.156 176.094 0.182 0.000 1.016 681 V CA -1.033 61.429 62.300 0.270 0.000 0.832 681 V CB 1.264 33.209 31.823 0.204 0.000 0.999 681 V HN 0.441 nan 8.190 nan 0.000 0.439 682 V N 5.463 125.496 119.914 0.199 0.000 2.539 682 V HA -0.016 4.104 4.120 0.001 0.000 0.300 682 V C 0.743 176.895 176.094 0.098 0.000 1.019 682 V CA -0.140 62.237 62.300 0.128 0.000 1.160 682 V CB -0.037 31.860 31.823 0.123 0.000 0.901 682 V HN 1.108 nan 8.190 nan 0.000 0.481 683 E N 4.477 124.709 120.200 0.055 0.000 2.373 683 E HA 0.319 4.670 4.350 0.001 0.000 0.267 683 E C 0.094 176.715 176.600 0.036 0.000 1.032 683 E CA -0.429 55.990 56.400 0.030 0.000 0.889 683 E CB 0.369 30.070 29.700 0.001 0.000 0.984 683 E HN 0.720 nan 8.360 nan 0.000 0.425 684 E N 1.326 121.546 120.200 0.034 0.000 2.807 684 E HA -0.124 4.227 4.350 0.001 0.000 0.169 684 E C -2.073 174.556 176.600 0.048 0.000 1.548 684 E CA -0.032 56.390 56.400 0.037 0.000 0.697 684 E CB -0.484 29.230 29.700 0.022 0.000 1.106 684 E HN 0.650 nan 8.360 nan 0.000 0.382 685 P HA 0.009 nan 4.420 nan 0.000 0.271 685 P C -0.630 176.686 177.300 0.026 0.000 1.233 685 P CA 0.160 63.288 63.100 0.047 0.000 0.789 685 P CB 0.540 32.272 31.700 0.053 0.000 0.951 686 E N 0.467 120.672 120.200 0.009 0.000 2.052 686 E HA 0.255 4.606 4.350 0.001 0.000 0.283 686 E C -0.426 176.173 176.600 -0.002 0.000 1.071 686 E CA -0.023 56.380 56.400 0.006 0.000 0.851 686 E CB -0.379 29.323 29.700 0.003 0.000 1.066 686 E HN 0.315 nan 8.360 nan 0.000 0.396 687 c N 4.461 123.064 118.600 0.005 0.000 2.401 687 c HA 0.553 5.123 4.570 0.001 0.000 0.356 687 c C -1.947 172.145 174.090 0.004 0.000 1.192 687 c CA -1.620 54.711 56.329 0.003 0.000 2.028 687 c CB 0.710 43.227 42.510 0.012 0.000 2.344 687 c HN 0.680 nan 8.230 nan 0.000 0.525 688 P HA 0.130 nan 4.420 nan 0.000 0.265 688 P C -0.549 176.754 177.300 0.006 0.000 1.222 688 P CA 0.382 63.484 63.100 0.003 0.000 0.767 688 P CB 0.249 31.951 31.700 0.002 0.000 0.801 689 K N 1.612 122.015 120.400 0.006 0.000 2.230 689 K HA 0.569 4.890 4.320 0.001 0.000 0.253 689 K C 0.897 177.500 176.600 0.006 0.000 1.008 689 K CA -0.059 56.232 56.287 0.006 0.000 0.910 689 K CB 0.433 32.937 32.500 0.006 0.000 0.994 689 K HN 0.719 nan 8.250 nan 0.000 0.495 690 G N 0.000 108.804 108.800 0.006 0.000 5.446 690 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 690 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 690 G CA 0.000 45.103 45.100 0.005 0.000 0.502 690 G HN 0.000 nan 8.290 nan 0.000 0.925