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 2j62_1_B DATA FIRST_RESID 40 DATA SEQUENCE QVLVPNLNPT PENLEVVGDG FKITSSINLV GEEEADENAV NALREFLTAN DATA SEQUENCE NIEINSENDP NSTTLIIGEV DDDIPELDEA LNGTTAENLK EEGYALVSND DATA SEQUENCE GKIAIEGKDG DGTFYGVQTF KQLVKESNIP EVNITDYPTV SARGIVEGFY DATA SEQUENCE GTPWTHQDRL DQIKFYGENK LNTYIYAPKD DPYHREKWRE PYPESEMQRM DATA SEQUENCE QELINASAEN KVDFVFGISP GIDIRFDGDA GEEDFNHLIT KAESLYDMGV DATA SEQUENCE RSFAIYWDDI QDKSAAKHAQ VLNRFNEEFV KAKGDVKPLI TVPTEYDTGA DATA SEQUENCE MVSNGQPRAY TRIFAETVDP SIEVMWTGPG VVTNEIPLSD AQLISGIYDR DATA SEQUENCE NMAVWWNYPV TDYFKGKLAL GPMHGLDKGL NQYVDFFTVN PMEHAELSKI DATA SEQUENCE SIHTAADYSW NMDNYDYDKA WNRAIDMLYG DLAEDMKVFA NHSTRMDNKT DATA SEQUENCE WAKSGREDAP ELRAKMDELW NKLSSKEDAS ALIEELYGEF ARMEEACNNL DATA SEQUENCE KANLPEVALE ECSRQLDELI TLAQGDKASL DMIVAQLNED TEAYESAKEI DATA SEQUENCE AQNKLNTALS SFAVISEKVA QSFIQEALSF DLTLI 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 175.997 176.000 -0.005 0.000 1.003 40 Q CA 0.000 55.804 55.803 0.001 0.000 1.022 40 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 41 V N -2.793 117.112 119.914 -0.015 0.000 4.290 41 V HA 0.327 5.932 4.120 2.476 0.000 0.159 41 V C 0.887 176.961 176.094 -0.034 0.000 1.350 41 V CA -0.268 62.013 62.300 -0.031 0.000 1.154 41 V CB -0.012 31.785 31.823 -0.044 0.000 1.236 41 V HN 0.062 nan 8.190 nan 0.000 0.608 42 L N 0.815 122.020 121.223 -0.029 0.000 2.985 42 L HA 0.533 6.358 4.340 2.476 0.000 0.201 42 L C 0.458 177.309 176.870 -0.033 0.000 1.291 42 L CA -0.346 54.480 54.840 -0.024 0.000 1.141 42 L CB 0.648 42.697 42.059 -0.016 0.000 2.131 42 L HN 0.108 nan 8.230 nan 0.000 0.538 43 V N 2.005 121.904 119.914 -0.026 0.000 2.450 43 V HA 0.075 5.680 4.120 2.476 0.000 0.281 43 V C -1.807 174.268 176.094 -0.031 0.000 1.019 43 V CA -0.883 61.400 62.300 -0.030 0.000 1.062 43 V CB 0.049 31.861 31.823 -0.018 0.000 0.979 43 V HN 0.615 nan 8.190 nan 0.000 0.477 44 P HA 0.153 nan 4.420 nan 0.000 0.273 44 P C -0.085 177.200 177.300 -0.026 0.000 1.250 44 P CA -0.678 62.400 63.100 -0.037 0.000 0.793 44 P CB 0.342 32.011 31.700 -0.052 0.000 1.011 45 N N 0.465 119.156 118.700 -0.015 0.000 2.292 45 N HA 0.008 6.234 4.740 2.476 0.000 0.258 45 N C -0.488 175.021 175.510 -0.001 0.000 1.261 45 N CA 0.770 53.821 53.050 0.002 0.000 0.845 45 N CB -0.295 38.201 38.487 0.014 0.000 1.064 45 N HN 0.275 nan 8.380 nan 0.000 0.471 46 L N 1.844 123.069 121.223 0.003 0.000 2.388 46 L HA 0.521 6.346 4.340 2.476 0.000 0.264 46 L C 0.131 176.988 176.870 -0.022 0.000 0.998 46 L CA -0.749 54.077 54.840 -0.025 0.000 0.817 46 L CB 2.148 44.182 42.059 -0.042 0.000 1.338 46 L HN 0.457 nan 8.230 nan 0.000 0.414 47 N N 1.760 120.404 118.700 -0.093 0.000 2.455 47 N HA 0.408 6.634 4.740 2.476 0.000 0.285 47 N C -2.979 172.326 175.510 -0.342 0.000 1.080 47 N CA -1.183 51.757 53.050 -0.184 0.000 0.932 47 N CB 3.392 41.732 38.487 -0.246 0.000 1.610 47 N HN 0.212 nan 8.380 nan 0.000 0.493 48 P HA 0.090 nan 4.420 nan 0.000 0.272 48 P C -0.523 176.659 177.300 -0.197 0.000 1.240 48 P CA 0.075 62.984 63.100 -0.317 0.000 0.791 48 P CB 0.395 31.782 31.700 -0.522 0.000 0.978 49 T N 3.816 118.351 114.554 -0.032 0.000 2.792 49 T HA 0.107 5.943 4.350 2.476 0.000 0.286 49 T C -2.092 172.640 174.700 0.053 0.000 0.970 49 T CA -0.461 61.649 62.100 0.016 0.000 1.187 49 T CB -0.805 68.097 68.868 0.056 0.000 0.915 49 T HN 0.308 nan 8.240 nan 0.000 0.529 50 P HA 0.073 nan 4.420 nan 0.000 0.266 50 P C 0.834 178.151 177.300 0.028 0.000 1.195 50 P CA -0.091 63.055 63.100 0.077 0.000 0.768 50 P CB 0.666 32.390 31.700 0.041 0.000 0.838 51 E N 3.050 123.218 120.200 -0.053 0.000 2.017 51 E HA -0.140 5.695 4.350 2.476 0.000 0.193 51 E C 0.063 176.591 176.600 -0.120 0.000 0.997 51 E CA 1.661 57.942 56.400 -0.198 0.000 0.804 51 E CB -0.120 29.230 29.700 -0.584 0.000 0.757 51 E HN 0.405 nan 8.360 nan 0.000 0.448 52 N N 0.368 119.003 118.700 -0.108 0.000 2.443 52 N HA 0.293 6.518 4.740 2.476 0.000 0.269 52 N C -1.261 174.234 175.510 -0.024 0.000 0.985 52 N CA -0.358 52.662 53.050 -0.049 0.000 0.921 52 N CB 1.935 40.403 38.487 -0.032 0.000 1.195 52 N HN 0.108 nan 8.380 nan 0.000 0.492 53 L N 0.993 122.212 121.223 -0.007 0.000 2.406 53 L HA 0.436 6.261 4.340 2.476 0.000 0.272 53 L C -0.747 176.130 176.870 0.011 0.000 0.980 53 L CA -0.422 54.423 54.840 0.008 0.000 0.831 53 L CB 1.978 44.043 42.059 0.011 0.000 1.253 53 L HN 0.406 nan 8.230 nan 0.000 0.406 54 E N 3.716 123.927 120.200 0.019 0.000 2.199 54 E HA 0.369 6.204 4.350 2.476 0.000 0.265 54 E C -1.414 175.202 176.600 0.026 0.000 0.882 54 E CA -0.754 55.658 56.400 0.020 0.000 0.759 54 E CB 2.408 32.121 29.700 0.021 0.000 1.148 54 E HN 0.415 nan 8.360 nan 0.000 0.412 55 V N 5.064 124.992 119.914 0.023 0.000 2.455 55 V HA 0.037 5.642 4.120 2.476 0.000 0.273 55 V C 1.111 177.224 176.094 0.031 0.000 1.045 55 V CA 0.021 62.338 62.300 0.027 0.000 0.976 55 V CB 1.027 32.861 31.823 0.020 0.000 0.993 55 V HN 0.664 nan 8.190 nan 0.000 0.475 56 V N 2.139 122.079 119.914 0.043 0.000 3.605 56 V HA 0.728 6.333 4.120 2.476 0.000 0.284 56 V C 0.628 176.751 176.094 0.048 0.000 1.386 56 V CA 0.887 63.213 62.300 0.043 0.000 1.053 56 V CB 0.171 32.022 31.823 0.047 0.000 0.857 56 V HN 0.850 nan 8.190 nan 0.000 0.436 57 G N 0.646 109.480 108.800 0.058 0.000 2.749 57 G HA2 0.390 5.836 3.960 2.476 0.000 0.300 57 G HA3 0.390 5.836 3.960 2.476 0.000 0.300 57 G C -0.151 174.786 174.900 0.063 0.000 1.352 57 G CA 0.390 45.529 45.100 0.065 0.000 0.789 57 G HN 0.152 nan 8.290 nan 0.000 0.509 58 D N -0.646 119.796 120.400 0.071 0.000 2.277 58 D HA 0.322 6.447 4.640 2.476 0.000 0.208 58 D C 1.162 177.503 176.300 0.068 0.000 0.962 58 D CA 1.105 55.142 54.000 0.060 0.000 0.865 58 D CB 0.371 41.205 40.800 0.056 0.000 0.939 58 D HN 1.739 nan 8.370 nan 0.000 0.510 59 G N 0.327 109.196 108.800 0.115 0.000 2.619 59 G HA2 0.204 5.649 3.960 2.476 0.000 0.686 59 G HA3 0.204 5.649 3.960 2.476 0.000 0.686 59 G C -0.795 174.223 174.900 0.196 0.000 1.256 59 G CA -0.569 44.585 45.100 0.090 0.000 0.826 59 G HN 0.513 nan 8.290 nan 0.000 0.619 60 F N -1.454 118.509 119.950 0.022 0.000 2.645 60 F HA 0.871 6.884 4.527 2.477 0.000 0.310 60 F C -0.480 175.336 175.800 0.026 0.000 1.102 60 F CA -1.580 56.435 58.000 0.024 0.000 0.952 60 F CB 1.824 40.841 39.000 0.028 0.000 1.326 60 F HN 0.547 nan 8.300 nan 0.000 0.456 61 K N 2.693 123.211 120.400 0.195 0.000 2.205 61 K HA 0.472 6.278 4.320 2.476 0.000 0.279 61 K C -0.834 175.885 176.600 0.199 0.000 1.027 61 K CA -0.409 55.939 56.287 0.101 0.000 0.932 61 K CB 1.049 33.600 32.500 0.085 0.000 1.032 61 K HN 0.824 nan 8.250 nan 0.000 0.466 62 I N 4.120 124.755 120.570 0.109 0.000 2.352 62 I HA 0.001 5.656 4.170 2.476 0.000 0.290 62 I C 0.912 177.105 176.117 0.126 0.000 1.036 62 I CA -0.445 60.957 61.300 0.169 0.000 1.336 62 I CB 1.163 39.250 38.000 0.144 0.000 1.407 62 I HN 0.645 nan 8.210 nan 0.000 0.497 63 T N 1.626 116.260 114.554 0.133 0.000 2.937 63 T HA -0.010 5.825 4.350 2.476 0.000 0.316 63 T C 1.229 175.969 174.700 0.067 0.000 1.079 63 T CA -0.587 61.564 62.100 0.086 0.000 1.131 63 T CB 0.826 69.739 68.868 0.074 0.000 1.000 63 T HN 0.597 nan 8.240 nan 0.000 0.549 64 S N 1.174 116.900 115.700 0.044 0.000 2.465 64 S HA 0.015 5.970 4.470 2.476 0.000 0.241 64 S C 0.986 175.604 174.600 0.031 0.000 1.000 64 S CA 0.830 59.048 58.200 0.029 0.000 0.964 64 S CB -0.170 63.040 63.200 0.016 0.000 0.763 64 S HN 0.827 nan 8.310 nan 0.000 0.512 65 S N 0.186 115.908 115.700 0.038 0.000 2.594 65 S HA 0.636 6.592 4.470 2.476 0.000 0.296 65 S C -0.611 174.017 174.600 0.048 0.000 1.124 65 S CA -1.006 57.216 58.200 0.036 0.000 1.011 65 S CB 0.514 63.729 63.200 0.025 0.000 1.016 65 S HN 0.278 nan 8.310 nan 0.000 0.485 66 I N 2.308 122.909 120.570 0.052 0.000 2.822 66 I HA 0.683 6.339 4.170 2.476 0.000 0.312 66 I C -0.332 175.806 176.117 0.036 0.000 1.011 66 I CA -0.774 60.560 61.300 0.056 0.000 1.105 66 I CB 1.049 39.096 38.000 0.078 0.000 1.291 66 I HN 0.348 nan 8.210 nan 0.000 0.474 67 N N 3.069 121.788 118.700 0.030 0.000 2.426 67 N HA 0.455 6.681 4.740 2.476 0.000 0.275 67 N C -1.296 174.219 175.510 0.009 0.000 1.019 67 N CA -0.327 52.733 53.050 0.016 0.000 0.941 67 N CB 1.899 40.393 38.487 0.012 0.000 1.123 67 N HN 0.585 nan 8.380 nan 0.000 0.486 68 L N 3.243 124.467 121.223 0.002 0.000 2.305 68 L HA 0.480 6.306 4.340 2.476 0.000 0.284 68 L C -1.103 175.760 176.870 -0.012 0.000 1.013 68 L CA -0.695 54.138 54.840 -0.011 0.000 0.819 68 L CB 1.347 43.400 42.059 -0.011 0.000 1.227 68 L HN 0.203 nan 8.230 nan 0.000 0.417 69 V N 4.568 124.471 119.914 -0.018 0.000 2.495 69 V HA 0.771 6.377 4.120 2.476 0.000 0.298 69 V C 0.880 176.963 176.094 -0.018 0.000 1.031 69 V CA 0.139 62.431 62.300 -0.014 0.000 0.871 69 V CB 0.960 32.778 31.823 -0.010 0.000 0.988 69 V HN 0.948 nan 8.190 nan 0.000 0.432 70 G N 3.023 111.815 108.800 -0.012 0.000 2.176 70 G HA2 -0.210 5.235 3.960 2.476 0.000 0.232 70 G HA3 -0.210 5.235 3.960 2.476 0.000 0.232 70 G C 0.788 175.681 174.900 -0.012 0.000 0.986 70 G CA 0.274 45.368 45.100 -0.011 0.000 0.643 70 G HN 0.877 nan 8.290 nan 0.000 0.522 71 E N 1.259 121.451 120.200 -0.014 0.000 2.515 71 E HA -0.039 5.796 4.350 2.476 0.000 0.201 71 E C 1.440 178.036 176.600 -0.006 0.000 1.071 71 E CA 1.652 58.045 56.400 -0.013 0.000 0.880 71 E CB -0.145 29.547 29.700 -0.014 0.000 0.828 71 E HN 0.622 nan 8.360 nan 0.000 0.540 72 E N 0.885 121.083 120.200 -0.004 0.000 2.140 72 E HA 0.017 5.853 4.350 2.476 0.000 0.191 72 E C 1.712 178.312 176.600 0.000 0.000 0.973 72 E CA 0.738 57.137 56.400 -0.001 0.000 0.829 72 E CB 0.040 29.739 29.700 -0.001 0.000 0.781 72 E HN 0.229 nan 8.360 nan 0.000 0.466 73 E N 0.580 120.780 120.200 -0.000 0.000 2.364 73 E HA 0.236 6.072 4.350 2.476 0.000 0.196 73 E C 0.659 177.261 176.600 0.003 0.000 0.990 73 E CA 0.266 56.668 56.400 0.002 0.000 0.886 73 E CB 0.327 30.029 29.700 0.003 0.000 0.866 73 E HN 0.180 nan 8.360 nan 0.000 0.493 74 A N 1.987 124.807 122.820 0.001 0.000 2.409 74 A HA -0.058 5.748 4.320 2.476 0.000 0.246 74 A C 0.434 178.021 177.584 0.006 0.000 1.099 74 A CA -0.164 51.874 52.037 0.001 0.000 0.789 74 A CB 0.089 19.083 19.000 -0.009 0.000 1.053 74 A HN 0.046 nan 8.150 nan 0.000 0.503 75 D N 0.209 120.615 120.400 0.011 0.000 2.412 75 D HA -0.029 6.096 4.640 2.476 0.000 0.257 75 D C 0.967 177.280 176.300 0.020 0.000 1.217 75 D CA 0.385 54.394 54.000 0.015 0.000 0.897 75 D CB 0.421 41.234 40.800 0.022 0.000 1.132 75 D HN 0.603 nan 8.370 nan 0.000 0.493 76 E N 3.218 123.425 120.200 0.013 0.000 2.065 76 E HA -0.274 5.561 4.350 2.476 0.000 0.201 76 E C 1.596 178.218 176.600 0.037 0.000 1.016 76 E CA 1.599 58.008 56.400 0.016 0.000 0.818 76 E CB 0.011 29.715 29.700 0.005 0.000 0.749 76 E HN 0.640 nan 8.360 nan 0.000 0.453 77 N N 0.171 118.894 118.700 0.038 0.000 2.061 77 N HA -0.216 6.010 4.740 2.476 0.000 0.193 77 N C 1.902 177.557 175.510 0.242 0.000 1.030 77 N CA 0.959 54.061 53.050 0.087 0.000 0.856 77 N CB -0.186 38.280 38.487 -0.035 0.000 1.023 77 N HN 0.128 nan 8.380 nan 0.000 0.424 78 A N 0.798 123.754 122.820 0.228 0.000 1.902 78 A HA -0.104 5.701 4.320 2.476 0.000 0.217 78 A C 2.428 180.032 177.584 0.033 0.000 1.181 78 A CA 1.253 53.385 52.037 0.158 0.000 0.623 78 A CB -0.770 18.271 19.000 0.069 0.000 0.818 78 A HN 0.120 nan 8.150 nan 0.000 0.443 79 V N 0.893 120.825 119.914 0.030 0.000 2.358 79 V HA -0.231 5.374 4.120 2.476 0.000 0.246 79 V C 2.298 178.406 176.094 0.023 0.000 1.047 79 V CA 2.009 64.311 62.300 0.005 0.000 1.035 79 V CB -0.944 30.881 31.823 0.004 0.000 0.658 79 V HN 0.546 nan 8.190 nan 0.000 0.452 80 N N 0.819 119.548 118.700 0.049 0.000 2.104 80 N HA -0.146 6.079 4.740 2.476 0.000 0.190 80 N C 1.888 177.439 175.510 0.068 0.000 1.024 80 N CA 1.777 54.862 53.050 0.058 0.000 0.853 80 N CB -0.493 38.033 38.487 0.065 0.000 1.008 80 N HN 0.492 nan 8.380 nan 0.000 0.424 81 A N 0.739 123.605 122.820 0.076 0.000 1.969 81 A HA -0.061 5.744 4.320 2.476 0.000 0.218 81 A C 2.254 179.857 177.584 0.031 0.000 1.169 81 A CA 0.779 52.838 52.037 0.037 0.000 0.635 81 A CB -0.541 18.411 19.000 -0.081 0.000 0.810 81 A HN 0.219 nan 8.150 nan 0.000 0.445 82 L N -0.152 121.077 121.223 0.009 0.000 2.005 82 L HA -0.110 5.715 4.340 2.476 0.000 0.207 82 L C 2.512 179.458 176.870 0.127 0.000 1.072 82 L CA 1.874 56.739 54.840 0.042 0.000 0.744 82 L CB -0.567 41.459 42.059 -0.055 0.000 0.895 82 L HN 0.335 nan 8.230 nan 0.000 0.433 83 R N -0.338 120.207 120.500 0.075 0.000 2.112 83 R HA -0.220 5.606 4.340 2.476 0.000 0.242 83 R C 2.157 178.512 176.300 0.090 0.000 1.137 83 R CA 2.032 58.176 56.100 0.073 0.000 0.944 83 R CB -0.650 29.676 30.300 0.044 0.000 0.857 83 R HN 0.538 nan 8.270 nan 0.000 0.435 84 E N -0.121 120.134 120.200 0.093 0.000 2.070 84 E HA -0.246 5.590 4.350 2.476 0.000 0.197 84 E C 1.840 178.507 176.600 0.111 0.000 1.004 84 E CA 1.529 57.981 56.400 0.086 0.000 0.805 84 E CB -0.272 29.479 29.700 0.085 0.000 0.744 84 E HN 0.276 nan 8.360 nan 0.000 0.451 85 F N 1.272 121.233 119.950 0.019 0.000 2.102 85 F HA -0.208 5.804 4.527 2.474 0.000 0.298 85 F C 2.088 177.909 175.800 0.036 0.000 1.105 85 F CA 0.938 58.952 58.000 0.024 0.000 1.239 85 F CB -0.144 38.887 39.000 0.053 0.000 0.991 85 F HN -0.064 nan 8.300 nan 0.000 0.474 86 L N 0.509 121.851 121.223 0.199 0.000 2.042 86 L HA -0.218 5.607 4.340 2.476 0.000 0.210 86 L C 2.507 179.351 176.870 -0.043 0.000 1.076 86 L CA 2.288 57.178 54.840 0.083 0.000 0.749 86 L CB -1.561 40.593 42.059 0.159 0.000 0.893 86 L HN 0.204 nan 8.230 nan 0.000 0.432 87 T N -0.711 113.832 114.554 -0.020 0.000 2.674 87 T HA -0.178 5.658 4.350 2.476 0.000 0.265 87 T C 1.934 176.582 174.700 -0.087 0.000 1.039 87 T CA 1.327 63.405 62.100 -0.037 0.000 1.150 87 T CB -0.463 68.398 68.868 -0.011 0.000 0.864 87 T HN 0.420 nan 8.240 nan 0.000 0.427 88 A N 2.125 124.873 122.820 -0.120 0.000 1.986 88 A HA -0.131 5.675 4.320 2.476 0.000 0.220 88 A C 1.931 179.378 177.584 -0.228 0.000 1.171 88 A CA 1.368 53.309 52.037 -0.161 0.000 0.640 88 A CB -0.523 18.377 19.000 -0.166 0.000 0.811 88 A HN 0.559 nan 8.150 nan 0.000 0.451 89 N N 0.083 118.589 118.700 -0.324 0.000 2.235 89 N HA 0.011 6.236 4.740 2.476 0.000 0.209 89 N C -0.730 174.673 175.510 -0.177 0.000 1.122 89 N CA 0.069 52.924 53.050 -0.325 0.000 0.845 89 N CB 0.103 38.252 38.487 -0.564 0.000 1.004 89 N HN 0.390 nan 8.380 nan 0.000 0.499 90 N N 0.985 119.610 118.700 -0.124 0.000 2.738 90 N HA -0.172 6.053 4.740 2.476 0.000 0.249 90 N C -0.877 174.605 175.510 -0.046 0.000 1.047 90 N CA 0.764 53.772 53.050 -0.071 0.000 0.707 90 N CB -1.372 37.079 38.487 -0.061 0.000 0.937 90 N HN 0.396 nan 8.380 nan 0.000 0.545 91 I N 0.585 121.132 120.570 -0.038 0.000 2.354 91 I HA 0.159 5.815 4.170 2.476 0.000 0.286 91 I C 0.698 176.824 176.117 0.016 0.000 1.007 91 I CA -0.479 60.823 61.300 0.003 0.000 1.167 91 I CB 1.499 39.522 38.000 0.037 0.000 1.320 91 I HN -0.114 nan 8.210 nan 0.000 0.458 92 E N 6.056 126.266 120.200 0.017 0.000 2.349 92 E HA 0.439 6.274 4.350 2.476 0.000 0.265 92 E C -0.518 176.098 176.600 0.026 0.000 1.064 92 E CA -0.469 55.941 56.400 0.017 0.000 0.886 92 E CB 2.000 31.707 29.700 0.011 0.000 1.036 92 E HN 0.431 nan 8.360 nan 0.000 0.413 93 I N 3.002 123.585 120.570 0.022 0.000 2.336 93 I HA 0.113 5.769 4.170 2.476 0.000 0.292 93 I C 0.460 176.587 176.117 0.016 0.000 0.991 93 I CA -0.670 60.643 61.300 0.021 0.000 1.227 93 I CB 0.805 38.816 38.000 0.018 0.000 1.366 93 I HN 0.121 nan 8.210 nan 0.000 0.466 94 N N 3.715 122.425 118.700 0.016 0.000 2.492 94 N HA 0.003 6.228 4.740 2.476 0.000 0.262 94 N C 1.089 176.604 175.510 0.008 0.000 1.202 94 N CA 0.091 53.148 53.050 0.012 0.000 0.926 94 N CB 1.357 39.851 38.487 0.012 0.000 1.078 94 N HN 0.713 nan 8.380 nan 0.000 0.454 95 S N 1.099 116.803 115.700 0.007 0.000 2.406 95 S HA -0.073 5.883 4.470 2.476 0.000 0.224 95 S C 0.500 175.102 174.600 0.004 0.000 1.030 95 S CA 0.391 58.594 58.200 0.005 0.000 0.958 95 S CB -0.113 63.089 63.200 0.004 0.000 0.811 95 S HN 0.756 nan 8.310 nan 0.000 0.489 96 E N 1.123 121.326 120.200 0.004 0.000 2.227 96 E HA 0.387 6.222 4.350 2.476 0.000 0.268 96 E C -0.879 175.723 176.600 0.004 0.000 0.907 96 E CA -1.081 55.321 56.400 0.003 0.000 0.786 96 E CB 0.718 30.419 29.700 0.003 0.000 1.191 96 E HN 0.124 nan 8.360 nan 0.000 0.411 97 N N 1.563 120.264 118.700 0.003 0.000 2.454 97 N HA -0.049 6.177 4.740 2.476 0.000 0.254 97 N C -1.194 174.318 175.510 0.003 0.000 1.228 97 N CA 0.486 53.538 53.050 0.003 0.000 0.900 97 N CB 0.737 39.225 38.487 0.001 0.000 1.089 97 N HN 0.560 nan 8.380 nan 0.000 0.449 98 D N 3.569 123.972 120.400 0.005 0.000 2.575 98 D HA 0.352 6.478 4.640 2.476 0.000 0.250 98 D C -1.941 174.360 176.300 0.003 0.000 1.279 98 D CA -1.915 52.088 54.000 0.005 0.000 0.925 98 D CB 1.781 42.586 40.800 0.008 0.000 1.261 98 D HN 0.229 nan 8.370 nan 0.000 0.567 99 P HA -0.139 nan 4.420 nan 0.000 0.216 99 P C 0.526 177.823 177.300 -0.006 0.000 1.154 99 P CA 1.071 64.167 63.100 -0.006 0.000 0.865 99 P CB 0.313 32.010 31.700 -0.006 0.000 0.789 100 N N -1.518 117.181 118.700 -0.001 0.000 2.521 100 N HA 0.016 6.242 4.740 2.476 0.000 0.188 100 N C 0.139 175.655 175.510 0.010 0.000 1.146 100 N CA 0.504 53.555 53.050 0.002 0.000 0.893 100 N CB -0.296 38.194 38.487 0.005 0.000 0.975 100 N HN 0.086 nan 8.380 nan 0.000 0.451 101 S N -0.469 115.239 115.700 0.012 0.000 2.617 101 S HA 0.324 6.279 4.470 2.476 0.000 0.283 101 S C 0.156 174.776 174.600 0.033 0.000 1.189 101 S CA -0.667 57.549 58.200 0.028 0.000 1.036 101 S CB 1.355 64.573 63.200 0.029 0.000 1.014 101 S HN 0.064 nan 8.310 nan 0.000 0.522 102 T N 3.279 117.875 114.554 0.070 0.000 2.888 102 T HA 0.218 6.053 4.350 2.476 0.000 0.301 102 T C 0.075 174.823 174.700 0.079 0.000 1.001 102 T CA 0.148 62.311 62.100 0.105 0.000 1.147 102 T CB 0.171 69.167 68.868 0.214 0.000 0.931 102 T HN 0.498 nan 8.240 nan 0.000 0.541 103 T N 4.255 118.843 114.554 0.057 0.000 2.794 103 T HA 0.556 6.392 4.350 2.476 0.000 0.280 103 T C -0.412 174.312 174.700 0.039 0.000 0.987 103 T CA -0.633 61.487 62.100 0.034 0.000 0.993 103 T CB 0.936 69.809 68.868 0.009 0.000 0.939 103 T HN 0.420 nan 8.240 nan 0.000 0.449 104 L N 4.216 125.443 121.223 0.007 0.000 2.349 104 L HA 0.664 6.489 4.340 2.476 0.000 0.278 104 L C -1.560 175.278 176.870 -0.054 0.000 0.996 104 L CA -0.904 53.910 54.840 -0.043 0.000 0.825 104 L CB 0.786 42.777 42.059 -0.115 0.000 1.243 104 L HN 0.555 nan 8.230 nan 0.000 0.412 105 I N 5.869 126.409 120.570 -0.050 0.000 2.493 105 I HA 0.557 6.213 4.170 2.476 0.000 0.298 105 I C -0.560 175.524 176.117 -0.054 0.000 0.998 105 I CA -0.280 60.997 61.300 -0.038 0.000 1.137 105 I CB 1.913 39.904 38.000 -0.014 0.000 1.310 105 I HN 0.475 nan 8.210 nan 0.000 0.445 106 I N 3.728 124.271 120.570 -0.046 0.000 2.692 106 I HA 0.867 6.522 4.170 2.476 0.000 0.293 106 I C -0.494 175.611 176.117 -0.021 0.000 1.200 106 I CA 0.239 61.509 61.300 -0.049 0.000 1.036 106 I CB 1.800 39.748 38.000 -0.087 0.000 1.258 106 I HN 0.731 nan 8.210 nan 0.000 0.421 107 G N 4.900 113.697 108.800 -0.005 0.000 2.320 107 G HA2 0.390 5.835 3.960 2.476 0.000 0.296 107 G HA3 0.390 5.835 3.960 2.476 0.000 0.296 107 G C -1.976 172.940 174.900 0.027 0.000 1.306 107 G CA -0.684 44.421 45.100 0.009 0.000 0.836 107 G HN 0.531 nan 8.290 nan 0.000 0.517 108 E N -1.076 119.142 120.200 0.030 0.000 2.239 108 E HA 0.582 6.417 4.350 2.476 0.000 0.261 108 E C 1.434 178.057 176.600 0.039 0.000 1.016 108 E CA -0.605 55.820 56.400 0.042 0.000 0.882 108 E CB 1.890 31.613 29.700 0.038 0.000 1.190 108 E HN 0.222 nan 8.360 nan 0.000 0.415 109 V N 0.672 120.613 119.914 0.045 0.000 2.287 109 V HA -0.237 5.369 4.120 2.476 0.000 0.248 109 V C 0.984 177.095 176.094 0.027 0.000 1.053 109 V CA 1.966 64.289 62.300 0.038 0.000 1.027 109 V CB -0.260 31.586 31.823 0.038 0.000 0.646 109 V HN 0.658 nan 8.190 nan 0.000 0.447 110 D N -0.447 119.968 120.400 0.025 0.000 2.319 110 D HA 0.057 6.182 4.640 2.476 0.000 0.230 110 D C 0.178 176.488 176.300 0.016 0.000 1.094 110 D CA 0.104 54.115 54.000 0.019 0.000 0.856 110 D CB -0.005 40.805 40.800 0.017 0.000 0.915 110 D HN 0.455 nan 8.370 nan 0.000 0.517 111 D N 0.815 121.225 120.400 0.017 0.000 2.341 111 D HA -0.017 6.109 4.640 2.476 0.000 0.245 111 D C 0.162 176.469 176.300 0.012 0.000 1.106 111 D CA -0.087 53.922 54.000 0.014 0.000 0.905 111 D CB 1.174 41.982 40.800 0.014 0.000 1.202 111 D HN -0.087 nan 8.370 nan 0.000 0.426 112 D N 2.212 122.618 120.400 0.009 0.000 2.508 112 D HA 0.080 6.206 4.640 2.476 0.000 0.224 112 D C -0.713 175.591 176.300 0.007 0.000 1.171 112 D CA -0.249 53.755 54.000 0.008 0.000 1.006 112 D CB -0.372 40.431 40.800 0.006 0.000 1.073 112 D HN 0.142 nan 8.370 nan 0.000 0.513 113 I N 4.175 124.749 120.570 0.008 0.000 2.583 113 I HA 0.179 5.835 4.170 2.476 0.000 0.276 113 I C -1.925 174.196 176.117 0.007 0.000 1.089 113 I CA -1.987 59.316 61.300 0.006 0.000 1.103 113 I CB 1.253 39.256 38.000 0.006 0.000 1.209 113 I HN 0.011 nan 8.210 nan 0.000 0.484 114 P HA -0.168 nan 4.420 nan 0.000 0.214 114 P C 1.260 178.563 177.300 0.005 0.000 1.163 114 P CA 1.660 64.763 63.100 0.005 0.000 0.889 114 P CB 0.523 32.225 31.700 0.004 0.000 0.790 115 E N -1.184 119.018 120.200 0.004 0.000 2.209 115 E HA -0.157 5.678 4.350 2.476 0.000 0.196 115 E C 1.801 178.405 176.600 0.006 0.000 0.993 115 E CA 0.545 56.947 56.400 0.003 0.000 0.819 115 E CB -0.825 28.875 29.700 -0.000 0.000 0.745 115 E HN 0.081 nan 8.360 nan 0.000 0.477 116 L N 1.114 122.342 121.223 0.008 0.000 2.005 116 L HA -0.169 5.657 4.340 2.476 0.000 0.207 116 L C 1.251 178.132 176.870 0.018 0.000 1.072 116 L CA 1.907 56.755 54.840 0.014 0.000 0.744 116 L CB -0.653 41.415 42.059 0.015 0.000 0.895 116 L HN 0.030 nan 8.230 nan 0.000 0.433 117 D N -0.494 119.916 120.400 0.016 0.000 2.116 117 D HA -0.256 5.870 4.640 2.476 0.000 0.193 117 D C 2.071 178.380 176.300 0.015 0.000 0.998 117 D CA 1.561 55.571 54.000 0.017 0.000 0.836 117 D CB -0.037 40.771 40.800 0.013 0.000 0.951 117 D HN 0.422 nan 8.370 nan 0.000 0.449 118 E N 0.721 120.928 120.200 0.011 0.000 2.023 118 E HA -0.113 5.723 4.350 2.476 0.000 0.196 118 E C 1.885 178.492 176.600 0.011 0.000 1.003 118 E CA 1.727 58.132 56.400 0.009 0.000 0.809 118 E CB -0.407 29.295 29.700 0.004 0.000 0.755 118 E HN 0.168 nan 8.360 nan 0.000 0.449 119 A N 0.105 122.932 122.820 0.013 0.000 2.067 119 A HA -0.032 5.773 4.320 2.476 0.000 0.219 119 A C 2.228 179.830 177.584 0.029 0.000 1.158 119 A CA 0.934 52.981 52.037 0.017 0.000 0.661 119 A CB -0.541 18.469 19.000 0.017 0.000 0.801 119 A HN 0.350 nan 8.150 nan 0.000 0.452 120 L N -1.123 120.119 121.223 0.031 0.000 2.217 120 L HA -0.081 5.745 4.340 2.476 0.000 0.211 120 L C 0.803 177.693 176.870 0.034 0.000 1.107 120 L CA 0.668 55.531 54.840 0.039 0.000 0.783 120 L CB -0.658 41.425 42.059 0.040 0.000 0.919 120 L HN 0.599 nan 8.230 nan 0.000 0.442 121 N N -0.073 118.642 118.700 0.025 0.000 2.650 121 N HA -0.250 5.976 4.740 2.476 0.000 0.272 121 N C 0.763 176.286 175.510 0.022 0.000 1.058 121 N CA 0.117 53.180 53.050 0.021 0.000 0.765 121 N CB -0.542 37.956 38.487 0.019 0.000 0.902 121 N HN 0.628 nan 8.380 nan 0.000 0.551 122 G N -0.792 108.020 108.800 0.021 0.000 3.211 122 G HA2 -0.296 5.149 3.960 2.476 0.000 0.206 122 G HA3 -0.296 5.149 3.960 2.476 0.000 0.206 122 G C 0.030 174.944 174.900 0.022 0.000 1.418 122 G CA 0.057 45.169 45.100 0.019 0.000 0.958 122 G HN 0.627 nan 8.290 nan 0.000 0.567 123 T N 2.314 116.884 114.554 0.027 0.000 2.851 123 T HA 0.549 6.384 4.350 2.476 0.000 0.298 123 T C 0.571 175.292 174.700 0.035 0.000 0.977 123 T CA 0.904 63.022 62.100 0.030 0.000 1.126 123 T CB 1.517 70.406 68.868 0.033 0.000 0.916 123 T HN 1.425 nan 8.240 nan 0.000 0.529 124 T N -1.338 113.236 114.554 0.034 0.000 2.645 124 T HA 0.714 6.550 4.350 2.476 0.000 0.273 124 T C 0.496 175.222 174.700 0.043 0.000 0.960 124 T CA -0.538 61.587 62.100 0.041 0.000 1.051 124 T CB 1.318 70.207 68.868 0.034 0.000 1.366 124 T HN 0.558 nan 8.240 nan 0.000 0.536 125 A N -0.489 122.362 122.820 0.052 0.000 2.574 125 A HA 0.336 6.142 4.320 2.476 0.000 0.283 125 A C 1.674 179.279 177.584 0.035 0.000 1.270 125 A CA -0.140 51.931 52.037 0.057 0.000 0.945 125 A CB -0.671 18.388 19.000 0.098 0.000 1.127 125 A HN 0.829 nan 8.150 nan 0.000 0.522 126 E N 0.839 121.052 120.200 0.021 0.000 2.051 126 E HA -0.215 5.620 4.350 2.476 0.000 0.192 126 E C 1.062 177.657 176.600 -0.008 0.000 0.991 126 E CA 1.776 58.182 56.400 0.010 0.000 0.799 126 E CB 0.101 29.807 29.700 0.009 0.000 0.748 126 E HN 0.637 nan 8.360 nan 0.000 0.449 127 N N -2.383 116.300 118.700 -0.029 0.000 2.463 127 N HA -0.087 6.139 4.740 2.476 0.000 0.207 127 N C -1.301 174.155 175.510 -0.091 0.000 1.660 127 N CA 0.796 53.824 53.050 -0.037 0.000 3.294 127 N CB -0.162 38.320 38.487 -0.008 0.000 1.508 127 N HN 0.082 nan 8.380 nan 0.000 1.132 128 L N 1.222 122.350 121.223 -0.158 0.000 5.536 128 L HA 0.012 5.837 4.340 2.476 0.000 0.238 128 L C -0.767 176.009 176.870 -0.157 0.000 1.201 128 L CA -0.464 54.273 54.840 -0.171 0.000 0.901 128 L CB 0.070 42.105 42.059 -0.039 0.000 1.566 128 L HN 0.407 nan 8.230 nan 0.000 0.359 129 K N 1.862 122.105 120.400 -0.261 0.000 2.120 129 K HA 0.488 6.293 4.320 2.476 0.000 0.245 129 K C 0.048 176.622 176.600 -0.044 0.000 1.024 129 K CA -0.702 55.487 56.287 -0.164 0.000 0.906 129 K CB 1.089 33.451 32.500 -0.231 0.000 1.051 129 K HN 0.380 nan 8.250 nan 0.000 0.491 130 E N 1.097 121.292 120.200 -0.009 0.000 2.604 130 E HA -0.190 5.645 4.350 2.476 0.000 0.267 130 E C -0.455 176.210 176.600 0.108 0.000 0.970 130 E CA 0.957 57.389 56.400 0.053 0.000 0.956 130 E CB 0.015 29.743 29.700 0.047 0.000 0.939 130 E HN 0.746 nan 8.360 nan 0.000 0.465 131 E N -0.962 119.361 120.200 0.205 0.000 3.975 131 E HA -0.200 5.636 4.350 2.476 0.000 0.342 131 E C 0.577 177.462 176.600 0.476 0.000 0.677 131 E CA 0.616 57.254 56.400 0.397 0.000 1.238 131 E CB -1.515 28.452 29.700 0.445 0.000 1.665 131 E HN 0.677 nan 8.360 nan 0.000 0.429 132 G N 0.424 109.399 108.800 0.292 0.000 2.527 132 G HA2 0.401 5.846 3.960 2.476 0.000 0.248 132 G HA3 0.401 5.846 3.960 2.476 0.000 0.248 132 G C -0.351 174.763 174.900 0.356 0.000 1.231 132 G CA 0.456 45.726 45.100 0.283 0.000 0.838 132 G HN 0.265 nan 8.290 nan 0.000 0.570 133 Y N -1.952 118.496 120.300 0.247 0.000 2.656 133 Y HA 0.727 6.762 4.550 2.475 0.000 0.334 133 Y C -0.497 175.497 175.900 0.156 0.000 1.179 133 Y CA -1.583 56.628 58.100 0.186 0.000 1.050 133 Y CB 0.948 39.527 38.460 0.198 0.000 1.308 133 Y HN 0.858 nan 8.280 nan 0.000 0.456 134 A N 2.766 125.727 122.820 0.236 0.000 2.342 134 A HA 0.794 6.600 4.320 2.476 0.000 0.323 134 A C -1.930 175.834 177.584 0.300 0.000 1.125 134 A CA -0.845 51.286 52.037 0.156 0.000 0.785 134 A CB 1.392 20.451 19.000 0.099 0.000 1.221 134 A HN 1.014 nan 8.150 nan 0.000 0.463 135 L N 3.061 124.439 121.223 0.257 0.000 2.409 135 L HA 0.714 6.539 4.340 2.476 0.000 0.272 135 L C -1.621 175.340 176.870 0.151 0.000 0.980 135 L CA -0.604 54.374 54.840 0.230 0.000 0.826 135 L CB 1.979 44.221 42.059 0.304 0.000 1.268 135 L HN 0.449 nan 8.230 nan 0.000 0.407 136 V N 3.218 123.208 119.914 0.126 0.000 2.443 136 V HA 0.472 6.078 4.120 2.476 0.000 0.293 136 V C -0.278 175.901 176.094 0.141 0.000 1.021 136 V CA -0.508 61.860 62.300 0.114 0.000 0.848 136 V CB 1.822 33.697 31.823 0.088 0.000 0.998 136 V HN 0.817 nan 8.190 nan 0.000 0.424 137 S N 3.916 119.718 115.700 0.169 0.000 2.474 137 S HA 0.642 6.597 4.470 2.476 0.000 0.321 137 S C -0.565 174.218 174.600 0.304 0.000 1.080 137 S CA -0.668 57.693 58.200 0.268 0.000 1.106 137 S CB 1.097 64.438 63.200 0.236 0.000 0.984 137 S HN 0.778 nan 8.310 nan 0.000 0.464 138 N N 2.128 120.996 118.700 0.281 0.000 2.578 138 N HA 0.122 6.347 4.740 2.476 0.000 0.282 138 N C -1.612 173.825 175.510 -0.122 0.000 1.119 138 N CA -0.131 52.996 53.050 0.129 0.000 0.948 138 N CB 1.616 40.144 38.487 0.069 0.000 1.546 138 N HN 0.809 nan 8.380 nan 0.000 0.525 139 D N 3.272 123.488 120.400 -0.307 0.000 2.802 139 D HA -0.167 5.959 4.640 2.476 0.000 0.229 139 D C 1.030 176.923 176.300 -0.678 0.000 1.203 139 D CA 2.512 56.217 54.000 -0.492 0.000 0.712 139 D CB -1.060 39.619 40.800 -0.202 0.000 0.973 139 D HN 1.059 nan 8.370 nan 0.000 0.407 140 G N 0.471 108.405 108.800 -1.442 0.000 2.199 140 G HA2 -0.347 5.099 3.960 2.476 0.000 0.254 140 G HA3 -0.347 5.099 3.960 2.476 0.000 0.254 140 G C 0.408 175.142 174.900 -0.277 0.000 0.982 140 G CA 0.587 45.218 45.100 -0.782 0.000 0.632 140 G HN 0.623 nan 8.290 nan 0.000 0.529 141 K N -0.073 120.208 120.400 -0.197 0.000 2.207 141 K HA 0.772 6.577 4.320 2.476 0.000 0.255 141 K C -0.365 176.334 176.600 0.166 0.000 0.941 141 K CA -0.755 55.541 56.287 0.016 0.000 0.825 141 K CB 1.837 34.328 32.500 -0.015 0.000 1.119 141 K HN 0.203 nan 8.250 nan 0.000 0.430 142 I N 2.061 122.720 120.570 0.148 0.000 2.468 142 I HA 0.411 6.067 4.170 2.476 0.000 0.285 142 I C -0.801 175.338 176.117 0.036 0.000 1.039 142 I CA -0.816 60.569 61.300 0.141 0.000 1.074 142 I CB 1.995 40.096 38.000 0.168 0.000 1.228 142 I HN 0.578 nan 8.210 nan 0.000 0.436 143 A N 7.766 130.615 122.820 0.048 0.000 2.342 143 A HA 0.924 6.730 4.320 2.476 0.000 0.323 143 A C -0.769 176.835 177.584 0.033 0.000 1.125 143 A CA -0.468 51.584 52.037 0.024 0.000 0.785 143 A CB 1.046 20.070 19.000 0.039 0.000 1.221 143 A HN 0.695 nan 8.150 nan 0.000 0.463 144 I N 1.520 122.094 120.570 0.006 0.000 2.478 144 I HA 0.401 6.057 4.170 2.476 0.000 0.287 144 I C -0.428 175.720 176.117 0.052 0.000 1.042 144 I CA -0.101 61.215 61.300 0.027 0.000 1.067 144 I CB 2.026 39.984 38.000 -0.071 0.000 1.233 144 I HN 0.765 nan 8.210 nan 0.000 0.431 145 E N 4.475 124.748 120.200 0.121 0.000 2.241 145 E HA 0.592 6.428 4.350 2.476 0.000 0.263 145 E C -0.795 175.917 176.600 0.186 0.000 0.882 145 E CA -0.551 55.919 56.400 0.116 0.000 0.769 145 E CB 2.244 32.001 29.700 0.094 0.000 1.185 145 E HN 0.784 nan 8.360 nan 0.000 0.415 146 G N 2.608 111.503 108.800 0.159 0.000 2.410 146 G HA2 0.131 5.576 3.960 2.476 0.000 0.330 146 G HA3 0.131 5.576 3.960 2.476 0.000 0.330 146 G C 0.526 175.512 174.900 0.143 0.000 1.142 146 G CA -0.387 44.836 45.100 0.205 0.000 0.902 146 G HN 0.491 nan 8.290 nan 0.000 0.491 147 K N -0.064 120.426 120.400 0.149 0.000 2.097 147 K HA -0.039 5.767 4.320 2.476 0.000 0.206 147 K C 0.522 177.170 176.600 0.080 0.000 1.049 147 K CA 1.992 58.336 56.287 0.096 0.000 0.933 147 K CB -0.025 32.524 32.500 0.083 0.000 0.717 147 K HN 0.732 nan 8.250 nan 0.000 0.442 148 D N -4.353 116.106 120.400 0.097 0.000 2.732 148 D HA 0.310 6.435 4.640 2.476 0.000 0.292 148 D C 1.052 177.394 176.300 0.069 0.000 1.135 148 D CA -0.320 53.723 54.000 0.071 0.000 1.071 148 D CB 0.017 40.856 40.800 0.065 0.000 1.457 148 D HN -0.108 nan 8.370 nan 0.000 0.547 149 G N -0.775 108.047 108.800 0.038 0.000 2.432 149 G HA2 -0.227 5.219 3.960 2.476 0.000 0.219 149 G HA3 -0.227 5.219 3.960 2.476 0.000 0.219 149 G C 0.797 175.695 174.900 -0.003 0.000 1.135 149 G CA 0.836 45.946 45.100 0.018 0.000 0.767 149 G HN 0.481 nan 8.290 nan 0.000 0.550 150 D N 0.939 121.329 120.400 -0.017 0.000 2.084 150 D HA -0.096 6.030 4.640 2.476 0.000 0.194 150 D C 2.673 178.932 176.300 -0.069 0.000 0.990 150 D CA 1.416 55.343 54.000 -0.121 0.000 0.826 150 D CB -0.835 39.974 40.800 0.015 0.000 0.971 150 D HN 0.304 nan 8.370 nan 0.000 0.453 151 G N 0.332 109.242 108.800 0.182 0.000 2.440 151 G HA2 -0.267 5.178 3.960 2.476 0.000 0.218 151 G HA3 -0.267 5.178 3.960 2.476 0.000 0.218 151 G C 1.704 176.727 174.900 0.205 0.000 1.154 151 G CA 1.669 46.991 45.100 0.370 0.000 0.767 151 G HN 0.238 nan 8.290 nan 0.000 0.552 152 T N 0.817 115.435 114.554 0.107 0.000 2.684 152 T HA -0.160 5.675 4.350 2.476 0.000 0.267 152 T C 1.939 176.610 174.700 -0.048 0.000 1.036 152 T CA 1.218 63.334 62.100 0.026 0.000 1.148 152 T CB -0.366 68.521 68.868 0.032 0.000 0.863 152 T HN 0.244 nan 8.240 nan 0.000 0.436 153 F N 1.149 120.977 119.950 -0.204 0.000 2.065 153 F HA -0.235 5.772 4.527 2.468 0.000 0.298 153 F C 2.033 177.678 175.800 -0.258 0.000 1.112 153 F CA 1.380 59.219 58.000 -0.268 0.000 1.212 153 F CB -0.469 38.302 39.000 -0.382 0.000 0.975 153 F HN 0.135 nan 8.300 nan 0.000 0.476 154 Y N 0.439 120.734 120.300 -0.010 0.000 2.293 154 Y HA 0.004 6.035 4.550 2.468 0.000 0.291 154 Y C 2.699 178.189 175.900 -0.683 0.000 1.137 154 Y CA 0.713 58.667 58.100 -0.243 0.000 1.202 154 Y CB -1.544 36.938 38.460 0.037 0.000 0.990 154 Y HN 0.134 nan 8.280 nan 0.000 0.537 155 G N -0.418 107.913 108.800 -0.781 0.000 2.440 155 G HA2 -0.218 5.228 3.960 2.476 0.000 0.218 155 G HA3 -0.218 5.228 3.960 2.476 0.000 0.218 155 G C 1.899 176.527 174.900 -0.454 0.000 1.154 155 G CA 1.321 45.815 45.100 -1.010 0.000 0.767 155 G HN 0.293 nan 8.290 nan 0.000 0.552 156 V N 0.641 120.335 119.914 -0.367 0.000 2.332 156 V HA -0.211 5.394 4.120 2.476 0.000 0.248 156 V C 3.049 178.963 176.094 -0.300 0.000 1.055 156 V CA 1.994 64.114 62.300 -0.299 0.000 1.038 156 V CB -0.353 31.264 31.823 -0.343 0.000 0.651 156 V HN 0.324 nan 8.190 nan 0.000 0.450 157 Q N -0.341 119.219 119.800 -0.400 0.000 2.124 157 Q HA -0.164 5.662 4.340 2.476 0.000 0.202 157 Q C 2.318 178.154 176.000 -0.274 0.000 0.977 157 Q CA 2.167 57.764 55.803 -0.342 0.000 0.850 157 Q CB -1.014 27.546 28.738 -0.298 0.000 0.901 157 Q HN 0.652 nan 8.270 nan 0.000 0.429 158 T N 1.201 115.605 114.554 -0.249 0.000 2.812 158 T HA -0.085 5.751 4.350 2.476 0.000 0.264 158 T C 1.479 176.094 174.700 -0.142 0.000 1.042 158 T CA 0.887 62.889 62.100 -0.162 0.000 1.140 158 T CB -0.407 68.423 68.868 -0.064 0.000 0.870 158 T HN 0.258 nan 8.240 nan 0.000 0.445 159 F N 2.877 122.655 119.950 -0.286 0.000 2.043 159 F HA -0.178 5.833 4.527 2.474 0.000 0.297 159 F C 2.127 177.662 175.800 -0.442 0.000 1.121 159 F CA 1.467 59.284 58.000 -0.304 0.000 1.199 159 F CB -0.333 38.479 39.000 -0.313 0.000 0.968 159 F HN -0.032 nan 8.300 nan 0.000 0.478 160 K N -0.124 119.818 120.400 -0.762 0.000 2.089 160 K HA -0.276 5.529 4.320 2.476 0.000 0.210 160 K C 2.042 178.334 176.600 -0.513 0.000 1.048 160 K CA 2.201 57.834 56.287 -1.090 0.000 0.926 160 K CB -0.589 31.471 32.500 -0.733 0.000 0.714 160 K HN 0.527 nan 8.250 nan 0.000 0.448 161 Q N 0.514 120.116 119.800 -0.328 0.000 2.230 161 Q HA -0.035 5.790 4.340 2.476 0.000 0.202 161 Q C 2.179 178.065 176.000 -0.190 0.000 0.963 161 Q CA 0.762 56.450 55.803 -0.192 0.000 0.866 161 Q CB -0.019 28.634 28.738 -0.142 0.000 0.931 161 Q HN 0.322 nan 8.270 nan 0.000 0.452 162 L N 0.013 121.080 121.223 -0.260 0.000 2.131 162 L HA -0.022 5.804 4.340 2.476 0.000 0.206 162 L C 0.696 177.421 176.870 -0.241 0.000 1.087 162 L CA 0.152 54.862 54.840 -0.216 0.000 0.767 162 L CB 0.102 42.051 42.059 -0.183 0.000 0.917 162 L HN -0.039 nan 8.230 nan 0.000 0.441 163 V N 1.841 121.544 119.914 -0.351 0.000 2.470 163 V HA 0.108 5.713 4.120 2.476 0.000 0.276 163 V C 0.042 176.073 176.094 -0.104 0.000 1.040 163 V CA 0.016 62.167 62.300 -0.248 0.000 1.008 163 V CB 0.525 32.181 31.823 -0.278 0.000 0.990 163 V HN 0.126 nan 8.190 nan 0.000 0.477 164 K N 3.990 124.334 120.400 -0.093 0.000 2.507 164 K HA 0.379 6.185 4.320 2.476 0.000 0.252 164 K C 0.037 176.601 176.600 -0.060 0.000 0.943 164 K CA -0.606 55.645 56.287 -0.061 0.000 0.808 164 K CB 1.863 34.328 32.500 -0.057 0.000 1.142 164 K HN 0.687 nan 8.250 nan 0.000 0.426 165 E N 1.060 121.228 120.200 -0.053 0.000 2.637 165 E HA -0.222 5.613 4.350 2.476 0.000 0.265 165 E C -0.481 176.092 176.600 -0.045 0.000 1.073 165 E CA 1.098 57.469 56.400 -0.049 0.000 0.778 165 E CB -1.840 27.836 29.700 -0.040 0.000 1.362 165 E HN 0.837 nan 8.360 nan 0.000 0.413 166 S N -2.566 113.105 115.700 -0.048 0.000 2.769 166 S HA -0.213 5.743 4.470 2.476 0.000 0.264 166 S C 0.376 174.939 174.600 -0.060 0.000 1.288 166 S CA 1.433 59.613 58.200 -0.033 0.000 1.378 166 S CB -0.735 62.460 63.200 -0.009 0.000 1.702 166 S HN 0.446 nan 8.310 nan 0.000 0.656 167 N N 0.976 119.627 118.700 -0.082 0.000 2.518 167 N HA 0.632 6.858 4.740 2.476 0.000 0.283 167 N C -0.453 174.941 175.510 -0.193 0.000 1.119 167 N CA 0.015 52.990 53.050 -0.125 0.000 0.983 167 N CB 1.313 39.751 38.487 -0.082 0.000 1.139 167 N HN 0.535 nan 8.380 nan 0.000 0.465 168 I N 2.130 122.510 120.570 -0.317 0.000 2.686 168 I HA 0.397 6.053 4.170 2.476 0.000 0.295 168 I C -2.505 173.422 176.117 -0.317 0.000 1.114 168 I CA -2.441 58.653 61.300 -0.343 0.000 1.038 168 I CB 3.099 40.839 38.000 -0.433 0.000 1.238 168 I HN 0.279 nan 8.210 nan 0.000 0.420 169 P HA 0.175 nan 4.420 nan 0.000 0.276 169 P C -1.396 175.879 177.300 -0.043 0.000 1.252 169 P CA -0.220 62.828 63.100 -0.087 0.000 0.802 169 P CB 0.589 32.260 31.700 -0.049 0.000 1.035 170 E N 0.301 120.528 120.200 0.045 0.000 2.046 170 E HA 0.351 6.187 4.350 2.476 0.000 0.279 170 E C -0.155 176.498 176.600 0.087 0.000 0.989 170 E CA -0.650 55.825 56.400 0.125 0.000 0.798 170 E CB 0.872 30.681 29.700 0.181 0.000 1.086 170 E HN 0.273 nan 8.360 nan 0.000 0.399 171 V N 0.682 120.650 119.914 0.090 0.000 3.130 171 V HA 0.601 6.207 4.120 2.476 0.000 0.310 171 V C -0.966 175.175 176.094 0.078 0.000 1.158 171 V CA -1.129 61.213 62.300 0.069 0.000 1.029 171 V CB 2.474 34.329 31.823 0.053 0.000 1.057 171 V HN 0.399 nan 8.190 nan 0.000 0.436 172 N N 2.019 120.755 118.700 0.061 0.000 2.442 172 N HA 0.696 6.922 4.740 2.476 0.000 0.274 172 N C -1.204 174.335 175.510 0.049 0.000 1.002 172 N CA -0.147 52.938 53.050 0.059 0.000 0.910 172 N CB 1.830 40.345 38.487 0.046 0.000 1.244 172 N HN 0.805 nan 8.380 nan 0.000 0.492 173 I N 1.263 121.869 120.570 0.059 0.000 2.465 173 I HA 0.400 6.055 4.170 2.476 0.000 0.291 173 I C -0.228 175.877 176.117 -0.021 0.000 1.014 173 I CA -0.626 60.694 61.300 0.032 0.000 1.093 173 I CB 2.023 40.077 38.000 0.090 0.000 1.267 173 I HN 0.338 nan 8.210 nan 0.000 0.431 174 T N 1.127 115.638 114.554 -0.072 0.000 2.861 174 T HA 0.660 6.495 4.350 2.476 0.000 0.287 174 T C -1.058 173.509 174.700 -0.222 0.000 1.003 174 T CA -0.805 61.223 62.100 -0.119 0.000 0.977 174 T CB 2.544 71.409 68.868 -0.005 0.000 0.996 174 T HN 0.457 nan 8.240 nan 0.000 0.448 175 D N 0.725 120.919 120.400 -0.343 0.000 2.717 175 D HA 0.564 6.689 4.640 2.476 0.000 0.223 175 D C -1.774 174.417 176.300 -0.181 0.000 1.240 175 D CA -0.342 53.434 54.000 -0.372 0.000 0.801 175 D CB 1.763 42.330 40.800 -0.390 0.000 1.556 175 D HN 0.723 nan 8.370 nan 0.000 0.462 176 Y N -1.213 118.973 120.300 -0.191 0.000 2.687 176 Y HA 0.565 6.600 4.550 2.475 0.000 0.338 176 Y C -3.089 172.080 175.900 -1.220 0.000 1.189 176 Y CA -1.798 55.992 58.100 -0.517 0.000 1.097 176 Y CB 0.600 38.877 38.460 -0.305 0.000 1.342 176 Y HN 0.053 nan 8.280 nan 0.000 0.461 177 P HA 0.223 nan 4.420 nan 0.000 0.282 177 P C 0.111 177.092 177.300 -0.531 0.000 1.249 177 P CA -0.095 62.161 63.100 -1.407 0.000 0.806 177 P CB 2.089 33.218 31.700 -0.953 0.000 0.984 178 T N 0.418 114.719 114.554 -0.422 0.000 2.737 178 T HA 0.003 5.838 4.350 2.476 0.000 0.265 178 T C 0.924 175.518 174.700 -0.176 0.000 1.038 178 T CA 1.138 63.103 62.100 -0.225 0.000 1.144 178 T CB -0.128 68.599 68.868 -0.236 0.000 0.866 178 T HN 0.215 nan 8.240 nan 0.000 0.434 179 V N 1.852 121.655 119.914 -0.184 0.000 2.513 179 V HA 0.309 5.914 4.120 2.476 0.000 0.299 179 V C 1.123 177.167 176.094 -0.083 0.000 1.035 179 V CA -0.372 61.867 62.300 -0.102 0.000 0.889 179 V CB 1.876 33.647 31.823 -0.086 0.000 0.988 179 V HN 0.458 nan 8.190 nan 0.000 0.440 180 S N 3.026 118.700 115.700 -0.044 0.000 2.470 180 S HA 0.239 6.194 4.470 2.476 0.000 0.225 180 S C 0.757 175.321 174.600 -0.060 0.000 1.006 180 S CA 0.461 58.639 58.200 -0.037 0.000 0.934 180 S CB 0.208 63.406 63.200 -0.004 0.000 0.778 180 S HN 1.046 nan 8.310 nan 0.000 0.517 181 A N 1.531 124.264 122.820 -0.145 0.000 2.304 181 A HA 0.802 6.607 4.320 2.476 0.000 0.314 181 A C -0.329 177.076 177.584 -0.298 0.000 1.187 181 A CA -0.986 50.823 52.037 -0.379 0.000 0.810 181 A CB 0.862 19.249 19.000 -1.022 0.000 1.183 181 A HN 0.451 nan 8.150 nan 0.000 0.487 182 R N 1.862 122.261 120.500 -0.167 0.000 2.538 182 R HA 0.716 6.541 4.340 2.476 0.000 0.292 182 R C 0.192 176.467 176.300 -0.042 0.000 1.008 182 R CA -0.091 56.004 56.100 -0.008 0.000 0.896 182 R CB 2.339 32.680 30.300 0.069 0.000 1.187 182 R HN 1.161 nan 8.270 nan 0.000 0.440 183 G N 2.047 110.828 108.800 -0.031 0.000 2.441 183 G HA2 0.353 5.799 3.960 2.476 0.000 0.225 183 G HA3 0.353 5.799 3.960 2.476 0.000 0.225 183 G C -1.862 172.947 174.900 -0.152 0.000 1.200 183 G CA -0.568 44.452 45.100 -0.134 0.000 0.947 183 G HN 0.262 nan 8.290 nan 0.000 0.484 184 I N 0.038 120.493 120.570 -0.192 0.000 2.569 184 I HA 0.617 6.273 4.170 2.476 0.000 0.296 184 I C -0.375 175.649 176.117 -0.156 0.000 1.028 184 I CA -1.034 60.193 61.300 -0.121 0.000 1.082 184 I CB 2.055 40.060 38.000 0.008 0.000 1.264 184 I HN 0.406 nan 8.210 nan 0.000 0.429 185 V N 6.188 125.890 119.914 -0.352 0.000 2.334 185 V HA 0.367 5.973 4.120 2.476 0.000 0.281 185 V C 0.078 175.839 176.094 -0.556 0.000 1.016 185 V CA -0.400 61.565 62.300 -0.559 0.000 0.832 185 V CB 1.279 32.523 31.823 -0.964 0.000 0.999 185 V HN 0.839 nan 8.190 nan 0.000 0.439 186 E N 4.973 124.842 120.200 -0.552 0.000 1.795 186 E HA 0.300 6.136 4.350 2.476 0.000 0.261 186 E C 0.760 176.816 176.600 -0.906 0.000 1.238 186 E CA 0.447 56.381 56.400 -0.777 0.000 1.001 186 E CB 0.182 29.432 29.700 -0.750 0.000 1.065 186 E HN 0.917 nan 8.360 nan 0.000 0.418 187 G N 4.460 112.823 108.800 -0.729 0.000 4.110 187 G HA2 0.125 5.570 3.960 2.476 0.000 0.292 187 G HA3 0.125 5.570 3.960 2.476 0.000 0.292 187 G C -0.297 174.446 174.900 -0.261 0.000 1.020 187 G CA -0.434 44.405 45.100 -0.434 0.000 0.808 187 G HN 0.414 nan 8.290 nan 0.000 0.474 188 F N -0.844 118.976 119.950 -0.216 0.000 2.380 188 F HA 0.805 6.792 4.527 2.433 0.000 0.321 188 F C -0.085 175.607 175.800 -0.180 0.000 1.103 188 F CA -2.695 55.240 58.000 -0.108 0.000 1.067 188 F CB 0.400 39.357 39.000 -0.072 0.000 1.265 188 F HN -0.036 nan 8.300 nan 0.000 0.517 189 Y N 0.574 121.035 120.300 0.268 0.000 2.300 189 Y HA 0.523 6.561 4.550 2.481 0.000 0.328 189 Y C 0.976 177.057 175.900 0.302 0.000 1.270 189 Y CA 0.472 58.691 58.100 0.199 0.000 1.352 189 Y CB 0.723 39.271 38.460 0.147 0.000 1.286 189 Y HN 1.099 nan 8.280 nan 0.000 0.536 190 G N -0.013 109.004 108.800 0.362 0.000 2.498 190 G HA2 -0.154 5.291 3.960 2.476 0.000 0.651 190 G HA3 -0.154 5.291 3.960 2.476 0.000 0.651 190 G C -0.878 174.181 174.900 0.264 0.000 1.284 190 G CA -0.928 44.329 45.100 0.262 0.000 0.950 190 G HN 0.602 nan 8.290 nan 0.000 0.511 191 T N 3.551 118.231 114.554 0.210 0.000 2.778 191 T HA 0.406 6.242 4.350 2.476 0.000 0.282 191 T C -1.827 173.077 174.700 0.340 0.000 0.983 191 T CA 0.566 62.796 62.100 0.216 0.000 1.193 191 T CB 0.518 69.489 68.868 0.171 0.000 0.938 191 T HN 0.533 nan 8.240 nan 0.000 0.523 192 P HA 0.122 nan 4.420 nan 0.000 0.272 192 P C -0.106 177.447 177.300 0.421 0.000 1.223 192 P CA -0.810 62.428 63.100 0.230 0.000 0.784 192 P CB 0.417 32.160 31.700 0.071 0.000 0.923 193 W N 1.445 122.926 121.300 0.302 0.000 2.293 193 W HA 0.039 5.874 4.660 1.958 0.000 0.342 193 W C 1.114 177.754 176.519 0.202 0.000 1.274 193 W CA -0.062 57.427 57.345 0.240 0.000 1.290 193 W CB -1.135 28.471 29.460 0.243 0.000 1.176 193 W HN 0.336 nan 8.180 nan 0.000 0.570 194 T N -0.856 113.919 114.554 0.368 0.000 2.856 194 T HA -0.055 5.780 4.350 2.476 0.000 0.306 194 T C 1.144 176.015 174.700 0.285 0.000 1.062 194 T CA 0.246 62.512 62.100 0.276 0.000 1.083 194 T CB 0.896 69.870 68.868 0.176 0.000 0.984 194 T HN 0.511 nan 8.240 nan 0.000 0.542 195 H N 1.250 120.425 119.070 0.175 0.000 2.289 195 H HA -0.126 5.920 4.556 2.484 0.000 0.296 195 H C 2.241 177.621 175.328 0.087 0.000 1.091 195 H CA 2.537 58.672 56.048 0.144 0.000 1.274 195 H CB -0.160 29.668 29.762 0.110 0.000 1.364 195 H HN 0.586 nan 8.280 nan 0.000 0.490 196 Q N 0.317 120.119 119.800 0.004 0.000 2.135 196 Q HA -0.137 5.689 4.340 2.476 0.000 0.204 196 Q C 1.914 177.839 176.000 -0.124 0.000 0.981 196 Q CA 1.421 57.167 55.803 -0.095 0.000 0.856 196 Q CB -0.307 28.415 28.738 -0.028 0.000 0.902 196 Q HN 0.628 nan 8.270 nan 0.000 0.425 197 D N 0.487 120.837 120.400 -0.083 0.000 2.104 197 D HA -0.140 5.985 4.640 2.476 0.000 0.194 197 D C 2.074 178.235 176.300 -0.232 0.000 0.994 197 D CA 1.103 54.983 54.000 -0.200 0.000 0.830 197 D CB -0.114 40.552 40.800 -0.222 0.000 0.959 197 D HN 0.224 nan 8.370 nan 0.000 0.452 198 R N -0.001 120.462 120.500 -0.061 0.000 2.075 198 R HA 0.015 5.840 4.340 2.476 0.000 0.232 198 R C 2.609 178.793 176.300 -0.194 0.000 1.126 198 R CA 0.530 56.605 56.100 -0.041 0.000 0.963 198 R CB -0.358 30.039 30.300 0.161 0.000 0.858 198 R HN 0.198 nan 8.270 nan 0.000 0.435 199 L N 0.496 121.586 121.223 -0.222 0.000 2.012 199 L HA -0.246 5.580 4.340 2.476 0.000 0.210 199 L C 2.153 178.909 176.870 -0.189 0.000 1.073 199 L CA 1.692 56.405 54.840 -0.213 0.000 0.748 199 L CB -0.506 41.403 42.059 -0.250 0.000 0.891 199 L HN 0.234 nan 8.230 nan 0.000 0.431 200 D N -1.078 119.199 120.400 -0.204 0.000 2.117 200 D HA -0.207 5.918 4.640 2.476 0.000 0.197 200 D C 2.285 178.433 176.300 -0.254 0.000 0.987 200 D CA 0.952 54.834 54.000 -0.197 0.000 0.829 200 D CB 0.172 40.846 40.800 -0.211 0.000 0.961 200 D HN 0.162 nan 8.370 nan 0.000 0.460 201 Q N 0.014 119.583 119.800 -0.384 0.000 2.050 201 Q HA -0.132 5.694 4.340 2.476 0.000 0.202 201 Q C 2.588 178.033 176.000 -0.925 0.000 0.980 201 Q CA 0.903 56.345 55.803 -0.602 0.000 0.840 201 Q CB -0.311 28.082 28.738 -0.576 0.000 0.898 201 Q HN 0.500 nan 8.270 nan 0.000 0.424 202 I N 0.759 120.974 120.570 -0.591 0.000 2.226 202 I HA -0.305 5.351 4.170 2.476 0.000 0.245 202 I C 2.272 178.297 176.117 -0.152 0.000 1.100 202 I CA 1.297 62.384 61.300 -0.355 0.000 1.374 202 I CB -0.147 37.780 38.000 -0.121 0.000 1.057 202 I HN 0.151 nan 8.210 nan 0.000 0.413 203 K N -0.018 120.325 120.400 -0.094 0.000 2.097 203 K HA -0.210 5.595 4.320 2.476 0.000 0.206 203 K C 2.095 178.737 176.600 0.069 0.000 1.049 203 K CA 1.552 57.853 56.287 0.023 0.000 0.933 203 K CB -0.326 32.186 32.500 0.020 0.000 0.717 203 K HN 0.168 nan 8.250 nan 0.000 0.442 204 F N 0.770 120.626 119.950 -0.157 0.000 2.171 204 F HA -0.224 5.737 4.527 2.389 0.000 0.300 204 F C 1.656 177.514 175.800 0.097 0.000 1.090 204 F CA 1.326 59.282 58.000 -0.073 0.000 1.293 204 F CB -0.130 38.785 39.000 -0.141 0.000 1.013 204 F HN -0.014 nan 8.300 nan 0.000 0.486 205 Y N 0.339 120.657 120.300 0.030 0.000 2.200 205 Y HA 0.024 4.936 4.550 0.604 0.000 0.290 205 Y C 2.779 178.689 175.900 0.016 0.000 1.137 205 Y CA 0.571 58.653 58.100 -0.031 0.000 1.163 205 Y CB -1.665 36.860 38.460 0.107 0.000 0.988 205 Y HN 0.090 nan 8.280 nan 0.000 0.518 206 G N -0.117 108.848 108.800 0.275 0.000 2.421 206 G HA2 -0.241 5.204 3.960 2.476 0.000 0.216 206 G HA3 -0.241 5.204 3.960 2.476 0.000 0.216 206 G C 1.517 176.606 174.900 0.315 0.000 1.171 206 G CA 0.903 46.265 45.100 0.436 0.000 0.775 206 G HN 0.422 nan 8.290 nan 0.000 0.543 207 E N 0.379 120.633 120.200 0.090 0.000 2.267 207 E HA -0.056 5.779 4.350 2.476 0.000 0.197 207 E C 1.225 177.721 176.600 -0.173 0.000 0.998 207 E CA 0.603 56.967 56.400 -0.060 0.000 0.830 207 E CB 0.040 29.707 29.700 -0.055 0.000 0.751 207 E HN 0.391 nan 8.360 nan 0.000 0.491 208 N N 0.145 118.703 118.700 -0.237 0.000 2.234 208 N HA 0.073 6.299 4.740 2.476 0.000 0.227 208 N C -0.667 174.641 175.510 -0.336 0.000 1.151 208 N CA 0.084 52.918 53.050 -0.359 0.000 0.865 208 N CB 0.803 38.965 38.487 -0.542 0.000 1.066 208 N HN 0.019 nan 8.380 nan 0.000 0.515 209 K N 0.359 120.610 120.400 -0.248 0.000 3.209 209 K HA -0.164 5.642 4.320 2.476 0.000 0.289 209 K C -0.509 175.981 176.600 -0.184 0.000 1.191 209 K CA 0.564 56.553 56.287 -0.496 0.000 0.851 209 K CB -1.637 30.140 32.500 -1.206 0.000 1.242 209 K HN 0.261 nan 8.250 nan 0.000 0.480 210 L N 1.773 123.002 121.223 0.009 0.000 2.276 210 L HA 0.164 5.989 4.340 2.476 0.000 0.286 210 L C 1.274 178.246 176.870 0.170 0.000 1.061 210 L CA -0.479 54.395 54.840 0.057 0.000 0.807 210 L CB 0.699 42.744 42.059 -0.024 0.000 1.177 210 L HN 0.193 nan 8.230 nan 0.000 0.429 211 N N -0.130 118.654 118.700 0.141 0.000 2.187 211 N HA 0.056 6.281 4.740 2.476 0.000 0.212 211 N C -0.420 175.155 175.510 0.108 0.000 1.152 211 N CA -0.308 52.850 53.050 0.181 0.000 0.872 211 N CB 0.880 39.498 38.487 0.218 0.000 1.025 211 N HN 0.392 nan 8.380 nan 0.000 0.514 212 T N 0.771 115.360 114.554 0.058 0.000 3.011 212 T HA 0.221 6.056 4.350 2.476 0.000 0.303 212 T C -2.154 172.602 174.700 0.092 0.000 0.997 212 T CA -0.470 61.651 62.100 0.034 0.000 1.007 212 T CB 1.199 69.992 68.868 -0.124 0.000 1.017 212 T HN 0.191 nan 8.240 nan 0.000 0.443 213 Y N 4.521 124.831 120.300 0.017 0.000 2.326 213 Y HA 0.661 6.728 4.550 2.528 0.000 0.329 213 Y C -1.281 174.535 175.900 -0.139 0.000 0.973 213 Y CA -1.614 56.488 58.100 0.003 0.000 1.162 213 Y CB 0.682 39.272 38.460 0.216 0.000 1.147 213 Y HN 0.596 nan 8.280 nan 0.000 0.456 214 I N 7.598 127.791 120.570 -0.628 0.000 2.304 214 I HA 0.131 5.786 4.170 2.476 0.000 0.291 214 I C -0.959 174.538 176.117 -1.034 0.000 1.018 214 I CA -0.948 59.943 61.300 -0.681 0.000 1.260 214 I CB 0.726 38.541 38.000 -0.307 0.000 1.390 214 I HN 0.635 nan 8.210 nan 0.000 0.475 215 Y N 6.924 126.536 120.300 -1.147 0.000 2.539 215 Y HA 0.454 6.479 4.550 2.459 0.000 0.352 215 Y C 0.397 175.905 175.900 -0.654 0.000 1.004 215 Y CA -0.371 57.210 58.100 -0.865 0.000 1.278 215 Y CB 0.677 38.777 38.460 -0.600 0.000 1.136 215 Y HN 0.637 nan 8.280 nan 0.000 0.528 216 A N 7.790 129.948 122.820 -1.104 0.000 3.214 216 A HA 0.319 6.125 4.320 2.476 0.000 0.203 216 A C -3.033 173.809 177.584 -1.237 0.000 0.960 216 A CA -0.924 50.403 52.037 -1.183 0.000 1.113 216 A CB -0.235 18.529 19.000 -0.394 0.000 1.280 216 A HN 0.485 nan 8.150 nan 0.000 0.573 217 P HA 0.125 nan 4.420 nan 0.000 0.271 217 P C 0.610 177.584 177.300 -0.542 0.000 1.233 217 P CA 0.122 62.685 63.100 -0.894 0.000 0.764 217 P CB 1.108 32.363 31.700 -0.743 0.000 0.825 218 K N 2.038 122.153 120.400 -0.474 0.000 2.160 218 K HA -0.134 5.672 4.320 2.476 0.000 0.206 218 K C 0.538 177.061 176.600 -0.127 0.000 1.047 218 K CA 1.540 57.629 56.287 -0.330 0.000 0.930 218 K CB -0.240 31.741 32.500 -0.864 0.000 0.720 218 K HN 0.491 nan 8.250 nan 0.000 0.450 219 D N 0.864 121.197 120.400 -0.111 0.000 2.368 219 D HA -0.038 6.088 4.640 2.476 0.000 0.218 219 D C -0.137 176.175 176.300 0.020 0.000 1.112 219 D CA 0.036 54.038 54.000 0.002 0.000 0.834 219 D CB -0.008 40.832 40.800 0.066 0.000 0.953 219 D HN 0.118 nan 8.370 nan 0.000 0.505 220 D N 1.689 122.099 120.400 0.017 0.000 2.338 220 D HA 0.022 6.148 4.640 2.476 0.000 0.255 220 D C -1.290 175.056 176.300 0.078 0.000 1.237 220 D CA -1.808 52.268 54.000 0.126 0.000 0.883 220 D CB 1.668 42.623 40.800 0.258 0.000 1.087 220 D HN -0.083 nan 8.370 nan 0.000 0.485 221 P HA -0.209 nan 4.420 nan 0.000 0.216 221 P C 0.815 177.919 177.300 -0.327 0.000 1.150 221 P CA 1.386 64.319 63.100 -0.277 0.000 0.843 221 P CB -0.142 31.238 31.700 -0.533 0.000 0.787 222 Y N -2.015 118.269 120.300 -0.028 0.000 2.583 222 Y HA -0.055 5.979 4.550 2.472 0.000 0.293 222 Y C 2.695 178.642 175.900 0.077 0.000 1.157 222 Y CA 0.581 58.579 58.100 -0.169 0.000 1.315 222 Y CB -1.033 36.952 38.460 -0.792 0.000 1.021 222 Y HN 0.146 nan 8.280 nan 0.000 0.536 223 H N 0.006 119.195 119.070 0.198 0.000 2.465 223 H HA 0.127 6.176 4.556 2.489 0.000 0.289 223 H C 2.168 177.543 175.328 0.080 0.000 1.022 223 H CA 1.351 57.496 56.048 0.161 0.000 1.340 223 H CB 0.403 30.200 29.762 0.059 0.000 1.437 223 H HN 0.201 nan 8.280 nan 0.000 0.539 224 R N -1.078 119.365 120.500 -0.096 0.000 4.379 224 R HA 0.078 5.903 4.340 2.476 0.000 0.112 224 R C 1.963 178.306 176.300 0.072 0.000 0.659 224 R CA 0.410 56.433 56.100 -0.128 0.000 1.167 224 R CB -0.185 30.009 30.300 -0.176 0.000 1.572 224 R HN 0.182 nan 8.270 nan 0.000 0.426 225 E N 0.984 121.196 120.200 0.019 0.000 2.118 225 E HA -0.143 5.692 4.350 2.476 0.000 0.195 225 E C -0.078 176.498 176.600 -0.040 0.000 0.992 225 E CA 1.154 57.557 56.400 0.005 0.000 0.804 225 E CB 0.314 29.992 29.700 -0.036 0.000 0.741 225 E HN 0.149 nan 8.360 nan 0.000 0.458 226 K N 0.539 120.877 120.400 -0.103 0.000 3.239 226 K HA 0.090 5.895 4.320 2.476 0.000 0.204 226 K C 0.705 177.200 176.600 -0.175 0.000 1.126 226 K CA -0.394 55.766 56.287 -0.211 0.000 0.948 226 K CB 0.129 32.465 32.500 -0.274 0.000 0.818 226 K HN 0.289 nan 8.250 nan 0.000 0.480 227 W N 0.759 121.989 121.300 -0.116 0.000 2.364 227 W HA -0.197 5.947 4.660 2.474 0.000 0.281 227 W C 0.716 177.201 176.519 -0.056 0.000 1.219 227 W CA 0.613 57.905 57.345 -0.088 0.000 1.220 227 W CB -0.499 28.866 29.460 -0.158 0.000 1.127 227 W HN 0.101 nan 8.180 nan 0.000 0.556 228 R N 0.919 120.840 120.500 -0.965 0.000 2.148 228 R HA 0.007 5.833 4.340 2.476 0.000 0.223 228 R C 0.519 176.584 176.300 -0.391 0.000 1.088 228 R CA 0.725 56.267 56.100 -0.930 0.000 0.985 228 R CB -0.254 29.170 30.300 -1.460 0.000 0.880 228 R HN 0.207 nan 8.270 nan 0.000 0.451 229 E N 2.145 122.198 120.200 -0.244 0.000 2.316 229 E HA 0.090 5.926 4.350 2.476 0.000 0.275 229 E C -2.256 174.328 176.600 -0.026 0.000 1.029 229 E CA -2.076 54.283 56.400 -0.068 0.000 0.871 229 E CB 0.804 30.539 29.700 0.059 0.000 1.022 229 E HN 0.006 nan 8.360 nan 0.000 0.418 230 P HA -0.035 nan 4.420 nan 0.000 0.275 230 P C -0.983 176.103 177.300 -0.357 0.000 1.228 230 P CA -0.026 63.011 63.100 -0.105 0.000 0.786 230 P CB 0.404 32.085 31.700 -0.033 0.000 0.927 231 Y N 2.325 122.417 120.300 -0.346 0.000 2.620 231 Y HA 0.070 6.107 4.550 2.478 0.000 0.330 231 Y C -1.183 174.501 175.900 -0.360 0.000 1.186 231 Y CA -0.784 56.997 58.100 -0.532 0.000 1.467 231 Y CB -1.090 37.202 38.460 -0.281 0.000 1.262 231 Y HN 0.350 nan 8.280 nan 0.000 0.550 232 P HA -0.042 nan 4.420 nan 0.000 0.269 232 P C 0.691 177.972 177.300 -0.031 0.000 1.215 232 P CA -0.134 62.915 63.100 -0.086 0.000 0.780 232 P CB 0.853 32.530 31.700 -0.040 0.000 0.898 233 E N 1.302 121.487 120.200 -0.024 0.000 2.065 233 E HA -0.211 5.624 4.350 2.476 0.000 0.201 233 E C 1.894 178.475 176.600 -0.032 0.000 1.016 233 E CA 2.381 58.765 56.400 -0.026 0.000 0.818 233 E CB -0.856 28.832 29.700 -0.020 0.000 0.749 233 E HN 0.544 nan 8.360 nan 0.000 0.453 234 S N 0.250 115.937 115.700 -0.021 0.000 2.400 234 S HA -0.209 5.746 4.470 2.476 0.000 0.232 234 S C 1.964 176.536 174.600 -0.046 0.000 1.025 234 S CA 1.649 59.831 58.200 -0.030 0.000 0.993 234 S CB -0.207 62.986 63.200 -0.011 0.000 0.808 234 S HN 0.147 nan 8.310 nan 0.000 0.478 235 E N 0.640 120.830 120.200 -0.016 0.000 2.216 235 E HA 0.104 5.939 4.350 2.476 0.000 0.192 235 E C 1.925 178.456 176.600 -0.115 0.000 0.988 235 E CA 0.752 57.143 56.400 -0.015 0.000 0.834 235 E CB -0.285 29.495 29.700 0.133 0.000 0.772 235 E HN 0.422 nan 8.360 nan 0.000 0.479 236 M N 0.157 119.694 119.600 -0.104 0.000 2.156 236 M HA -0.076 5.889 4.480 2.476 0.000 0.264 236 M C 1.845 178.055 176.300 -0.150 0.000 1.067 236 M CA 1.201 56.407 55.300 -0.157 0.000 1.131 236 M CB -0.741 31.797 32.600 -0.102 0.000 1.368 236 M HN 0.140 nan 8.290 nan 0.000 0.416 237 Q N 0.213 119.945 119.800 -0.113 0.000 2.135 237 Q HA -0.141 5.684 4.340 2.476 0.000 0.204 237 Q C 2.137 178.059 176.000 -0.130 0.000 0.981 237 Q CA 1.515 57.255 55.803 -0.105 0.000 0.856 237 Q CB -0.593 28.096 28.738 -0.081 0.000 0.902 237 Q HN 0.519 nan 8.270 nan 0.000 0.425 238 R N -0.352 120.037 120.500 -0.185 0.000 2.081 238 R HA -0.013 5.812 4.340 2.476 0.000 0.235 238 R C 2.435 178.684 176.300 -0.086 0.000 1.131 238 R CA 1.196 57.133 56.100 -0.270 0.000 0.960 238 R CB -0.180 29.849 30.300 -0.451 0.000 0.856 238 R HN 0.207 nan 8.270 nan 0.000 0.436 239 M N 0.385 119.883 119.600 -0.170 0.000 2.108 239 M HA -0.221 5.744 4.480 2.476 0.000 0.261 239 M C 2.289 178.435 176.300 -0.258 0.000 1.066 239 M CA 1.675 56.824 55.300 -0.251 0.000 1.107 239 M CB -0.772 31.587 32.600 -0.402 0.000 1.356 239 M HN 0.102 nan 8.290 nan 0.000 0.406 240 Q N 1.057 120.738 119.800 -0.199 0.000 2.045 240 Q HA -0.192 5.633 4.340 2.476 0.000 0.206 240 Q C 1.720 177.654 176.000 -0.110 0.000 0.991 240 Q CA 2.188 57.892 55.803 -0.166 0.000 0.851 240 Q CB -0.266 28.401 28.738 -0.119 0.000 0.911 240 Q HN 0.573 nan 8.270 nan 0.000 0.418 241 E N -0.213 119.971 120.200 -0.027 0.000 2.130 241 E HA -0.213 5.623 4.350 2.476 0.000 0.196 241 E C 2.091 178.709 176.600 0.030 0.000 0.998 241 E CA 1.299 57.725 56.400 0.044 0.000 0.806 241 E CB -0.266 29.544 29.700 0.183 0.000 0.738 241 E HN 0.411 nan 8.360 nan 0.000 0.459 242 L N 0.391 121.635 121.223 0.035 0.000 2.093 242 L HA -0.145 5.680 4.340 2.476 0.000 0.208 242 L C 2.441 179.280 176.870 -0.051 0.000 1.085 242 L CA 0.806 55.675 54.840 0.047 0.000 0.755 242 L CB -0.232 41.931 42.059 0.173 0.000 0.904 242 L HN 0.138 nan 8.230 nan 0.000 0.435 243 I N -0.227 120.174 120.570 -0.282 0.000 2.353 243 I HA -0.240 5.416 4.170 2.476 0.000 0.248 243 I C 2.138 178.181 176.117 -0.124 0.000 1.119 243 I CA 0.859 61.967 61.300 -0.320 0.000 1.417 243 I CB -0.328 37.405 38.000 -0.446 0.000 1.078 243 I HN 0.293 nan 8.210 nan 0.000 0.421 244 N N 1.231 119.873 118.700 -0.097 0.000 2.142 244 N HA -0.117 6.109 4.740 2.476 0.000 0.186 244 N C 1.944 177.438 175.510 -0.028 0.000 1.023 244 N CA 1.615 54.632 53.050 -0.056 0.000 0.852 244 N CB -0.494 37.966 38.487 -0.046 0.000 0.998 244 N HN 0.337 nan 8.380 nan 0.000 0.424 245 A N 0.699 123.513 122.820 -0.011 0.000 1.883 245 A HA -0.127 5.678 4.320 2.476 0.000 0.217 245 A C 2.489 180.088 177.584 0.026 0.000 1.186 245 A CA 1.925 53.964 52.037 0.004 0.000 0.624 245 A CB -0.859 18.139 19.000 -0.003 0.000 0.822 245 A HN 0.276 nan 8.150 nan 0.000 0.444 246 S N 0.012 115.757 115.700 0.075 0.000 2.359 246 S HA -0.140 5.815 4.470 2.476 0.000 0.223 246 S C 2.353 176.971 174.600 0.030 0.000 1.039 246 S CA 1.482 59.758 58.200 0.127 0.000 1.042 246 S CB -0.665 62.700 63.200 0.274 0.000 0.915 246 S HN 0.853 nan 8.310 nan 0.000 0.439 247 A N 1.562 124.380 122.820 -0.004 0.000 1.883 247 A HA -0.198 5.608 4.320 2.476 0.000 0.217 247 A C 1.972 179.484 177.584 -0.119 0.000 1.186 247 A CA 1.707 53.709 52.037 -0.058 0.000 0.624 247 A CB -0.721 18.247 19.000 -0.053 0.000 0.822 247 A HN 0.577 nan 8.150 nan 0.000 0.444 248 E N -0.319 119.831 120.200 -0.084 0.000 2.267 248 E HA -0.143 5.692 4.350 2.476 0.000 0.197 248 E C 0.599 177.088 176.600 -0.185 0.000 0.998 248 E CA 0.973 57.322 56.400 -0.084 0.000 0.830 248 E CB -0.118 29.575 29.700 -0.012 0.000 0.751 248 E HN 0.577 nan 8.360 nan 0.000 0.491 249 N N 0.119 118.686 118.700 -0.223 0.000 2.234 249 N HA 0.015 6.241 4.740 2.476 0.000 0.227 249 N C -0.555 174.599 175.510 -0.594 0.000 1.151 249 N CA 0.057 52.899 53.050 -0.348 0.000 0.865 249 N CB 0.857 39.363 38.487 0.031 0.000 1.066 249 N HN -0.077 nan 8.380 nan 0.000 0.515 250 K N -0.086 119.971 120.400 -0.570 0.000 3.069 250 K HA -0.125 5.681 4.320 2.476 0.000 0.267 250 K C -0.501 176.055 176.600 -0.074 0.000 1.082 250 K CA 0.313 56.362 56.287 -0.395 0.000 0.782 250 K CB -2.344 29.748 32.500 -0.680 0.000 1.230 250 K HN 0.044 nan 8.250 nan 0.000 0.488 251 V N 1.636 121.559 119.914 0.015 0.000 2.439 251 V HA 0.143 5.748 4.120 2.476 0.000 0.282 251 V C 0.642 176.829 176.094 0.156 0.000 1.039 251 V CA -0.699 61.691 62.300 0.149 0.000 0.913 251 V CB 1.637 33.610 31.823 0.251 0.000 0.983 251 V HN 0.075 nan 8.190 nan 0.000 0.460 252 D N 4.119 124.611 120.400 0.154 0.000 2.338 252 D HA 0.128 6.254 4.640 2.476 0.000 0.255 252 D C -0.315 176.120 176.300 0.224 0.000 1.237 252 D CA 0.158 54.255 54.000 0.161 0.000 0.883 252 D CB 0.908 41.778 40.800 0.117 0.000 1.087 252 D HN 0.426 nan 8.370 nan 0.000 0.485 253 F N 3.335 123.355 119.950 0.115 0.000 2.471 253 F HA 0.143 6.162 4.527 2.487 0.000 0.365 253 F C -0.265 175.554 175.800 0.031 0.000 1.095 253 F CA -0.471 57.612 58.000 0.138 0.000 1.174 253 F CB 0.577 39.658 39.000 0.135 0.000 1.105 253 F HN -0.004 nan 8.300 nan 0.000 0.535 254 V N 8.287 128.031 119.914 -0.284 0.000 2.347 254 V HA 0.152 5.758 4.120 2.476 0.000 0.280 254 V C -0.430 175.515 176.094 -0.248 0.000 1.021 254 V CA -0.808 61.386 62.300 -0.176 0.000 0.847 254 V CB 0.916 32.677 31.823 -0.104 0.000 0.990 254 V HN 0.614 nan 8.190 nan 0.000 0.444 255 F N 4.541 124.399 119.950 -0.153 0.000 2.413 255 F HA 0.674 6.684 4.527 2.472 0.000 0.359 255 F C 0.884 176.726 175.800 0.070 0.000 1.122 255 F CA -0.470 57.566 58.000 0.060 0.000 1.160 255 F CB 0.498 39.645 39.000 0.244 0.000 1.146 255 F HN 0.558 nan 8.300 nan 0.000 0.514 256 G N 6.905 115.351 108.800 -0.590 0.000 2.377 256 G HA2 0.516 5.961 3.960 2.476 0.000 0.299 256 G HA3 0.516 5.961 3.960 2.476 0.000 0.299 256 G C -1.476 173.109 174.900 -0.526 0.000 1.150 256 G CA -0.594 44.191 45.100 -0.525 0.000 0.847 256 G HN 0.795 nan 8.290 nan 0.000 0.501 257 I N 0.218 120.526 120.570 -0.436 0.000 2.647 257 I HA 0.547 6.203 4.170 2.476 0.000 0.295 257 I C -0.474 175.277 176.117 -0.610 0.000 1.078 257 I CA -0.700 60.351 61.300 -0.416 0.000 1.048 257 I CB 2.327 40.197 38.000 -0.216 0.000 1.239 257 I HN 0.362 nan 8.210 nan 0.000 0.421 258 S N 7.922 123.148 115.700 -0.789 0.000 2.399 258 S HA 0.367 6.323 4.470 2.476 0.000 0.215 258 S C -2.232 171.922 174.600 -0.743 0.000 1.456 258 S CA -0.747 57.024 58.200 -0.715 0.000 1.199 258 S CB 1.009 63.858 63.200 -0.586 0.000 1.063 258 S HN 0.568 nan 8.310 nan 0.000 0.476 259 P HA 0.197 nan 4.420 nan 0.000 0.261 259 P C 1.315 178.141 177.300 -0.789 0.000 1.268 259 P CA 0.032 62.138 63.100 -1.657 0.000 0.833 259 P CB 0.061 30.473 31.700 -2.146 0.000 1.231 260 G N 0.615 109.161 108.800 -0.424 0.000 2.509 260 G HA2 -0.144 5.302 3.960 2.476 0.000 0.218 260 G HA3 -0.144 5.302 3.960 2.476 0.000 0.218 260 G C 1.422 176.371 174.900 0.082 0.000 1.124 260 G CA 0.149 45.256 45.100 0.012 0.000 0.776 260 G HN 0.227 nan 8.290 nan 0.000 0.547 261 I N 1.275 121.859 120.570 0.023 0.000 2.252 261 I HA -0.083 5.573 4.170 2.476 0.000 0.245 261 I C 1.626 177.806 176.117 0.106 0.000 1.102 261 I CA 1.707 63.054 61.300 0.078 0.000 1.385 261 I CB 0.045 38.089 38.000 0.074 0.000 1.064 261 I HN 0.311 nan 8.210 nan 0.000 0.414 262 D N -0.950 119.534 120.400 0.140 0.000 2.563 262 D HA 0.125 6.251 4.640 2.476 0.000 0.256 262 D C 0.344 176.741 176.300 0.160 0.000 1.400 262 D CA -0.382 53.707 54.000 0.148 0.000 0.800 262 D CB -0.629 40.263 40.800 0.153 0.000 1.145 262 D HN 0.146 nan 8.370 nan 0.000 0.501 263 I N 1.269 121.895 120.570 0.094 0.000 2.775 263 I HA 0.083 5.739 4.170 2.476 0.000 0.290 263 I C -0.135 175.787 176.117 -0.325 0.000 1.203 263 I CA 0.038 61.338 61.300 0.001 0.000 1.433 263 I CB 0.337 38.200 38.000 -0.228 0.000 1.354 263 I HN -0.113 nan 8.210 nan 0.000 0.579 264 R N 5.984 126.374 120.500 -0.184 0.000 2.474 264 R HA 0.360 6.185 4.340 2.476 0.000 0.295 264 R C -0.422 175.737 176.300 -0.236 0.000 0.980 264 R CA -0.416 55.554 56.100 -0.218 0.000 0.934 264 R CB 1.149 31.451 30.300 0.002 0.000 1.101 264 R HN 0.546 nan 8.270 nan 0.000 0.469 265 F N -0.748 119.292 119.950 0.150 0.000 2.553 265 F HA 0.200 6.212 4.527 2.475 0.000 0.282 265 F C 0.389 176.241 175.800 0.087 0.000 1.089 265 F CA 0.080 58.154 58.000 0.123 0.000 1.411 265 F CB 0.414 39.466 39.000 0.086 0.000 1.125 265 F HN 0.333 nan 8.300 nan 0.000 0.610 266 D N -0.294 120.250 120.400 0.240 0.000 2.217 266 D HA 0.466 6.592 4.640 2.476 0.000 0.248 266 D C 0.834 177.199 176.300 0.108 0.000 1.008 266 D CA 0.742 54.832 54.000 0.151 0.000 0.914 266 D CB 1.405 42.278 40.800 0.121 0.000 1.182 266 D HN 0.267 nan 8.370 nan 0.000 0.451 267 G N 1.822 110.671 108.800 0.081 0.000 2.601 267 G HA2 -0.314 5.131 3.960 2.476 0.000 0.261 267 G HA3 -0.314 5.131 3.960 2.476 0.000 0.261 267 G C 0.615 175.559 174.900 0.073 0.000 1.289 267 G CA 0.264 45.403 45.100 0.065 0.000 0.920 267 G HN 0.489 nan 8.290 nan 0.000 0.571 268 D N 0.218 120.656 120.400 0.062 0.000 2.182 268 D HA 0.059 6.184 4.640 2.476 0.000 0.201 268 D C 2.742 179.089 176.300 0.079 0.000 0.986 268 D CA 2.275 56.313 54.000 0.063 0.000 0.847 268 D CB -0.656 40.173 40.800 0.048 0.000 0.942 268 D HN 0.846 nan 8.370 nan 0.000 0.467 269 A N 0.511 123.382 122.820 0.084 0.000 1.898 269 A HA 0.028 5.833 4.320 2.476 0.000 0.216 269 A C 2.375 180.039 177.584 0.134 0.000 1.181 269 A CA 1.887 53.983 52.037 0.099 0.000 0.620 269 A CB -0.963 18.087 19.000 0.082 0.000 0.819 269 A HN 0.300 nan 8.150 nan 0.000 0.442 270 G N -0.576 108.307 108.800 0.138 0.000 2.418 270 G HA2 -0.202 5.244 3.960 2.476 0.000 0.217 270 G HA3 -0.202 5.244 3.960 2.476 0.000 0.217 270 G C 1.447 176.480 174.900 0.222 0.000 1.158 270 G CA 1.271 46.481 45.100 0.183 0.000 0.771 270 G HN 0.498 nan 8.290 nan 0.000 0.545 271 E N 0.486 120.786 120.200 0.167 0.000 2.038 271 E HA -0.117 5.719 4.350 2.476 0.000 0.195 271 E C 2.306 179.017 176.600 0.185 0.000 1.000 271 E CA 1.390 57.895 56.400 0.175 0.000 0.803 271 E CB -0.325 29.440 29.700 0.109 0.000 0.750 271 E HN 0.596 nan 8.360 nan 0.000 0.448 272 E N -0.211 120.067 120.200 0.130 0.000 2.058 272 E HA -0.234 5.601 4.350 2.476 0.000 0.194 272 E C 1.470 178.153 176.600 0.138 0.000 0.997 272 E CA 1.594 58.037 56.400 0.071 0.000 0.801 272 E CB -0.053 29.699 29.700 0.087 0.000 0.746 272 E HN 0.224 nan 8.360 nan 0.000 0.450 273 D N -0.445 120.138 120.400 0.304 0.000 2.144 273 D HA -0.142 5.984 4.640 2.476 0.000 0.200 273 D C 1.574 178.162 176.300 0.480 0.000 0.978 273 D CA 0.634 54.926 54.000 0.486 0.000 0.833 273 D CB -0.327 40.746 40.800 0.456 0.000 0.961 273 D HN 0.190 nan 8.370 nan 0.000 0.470 274 F N 1.823 121.925 119.950 0.252 0.000 2.146 274 F HA -0.152 5.861 4.527 2.477 0.000 0.298 274 F C 1.853 177.768 175.800 0.191 0.000 1.096 274 F CA 1.079 59.215 58.000 0.228 0.000 1.275 274 F CB -0.186 38.928 39.000 0.189 0.000 1.008 274 F HN -0.138 nan 8.300 nan 0.000 0.480 275 N N -0.101 118.661 118.700 0.104 0.000 2.104 275 N HA -0.219 6.006 4.740 2.476 0.000 0.190 275 N C 1.845 177.293 175.510 -0.103 0.000 1.024 275 N CA 1.599 54.613 53.050 -0.060 0.000 0.853 275 N CB -0.924 37.530 38.487 -0.055 0.000 1.008 275 N HN 0.439 nan 8.380 nan 0.000 0.424 276 H N 0.851 119.950 119.070 0.049 0.000 2.387 276 H HA -0.017 6.024 4.556 2.475 0.000 0.299 276 H C 2.265 177.664 175.328 0.117 0.000 1.099 276 H CA 0.755 56.838 56.048 0.057 0.000 1.315 276 H CB -0.243 29.520 29.762 0.002 0.000 1.380 276 H HN 0.210 nan 8.280 nan 0.000 0.513 277 L N -0.022 121.343 121.223 0.237 0.000 2.056 277 L HA -0.168 5.658 4.340 2.476 0.000 0.207 277 L C 2.541 179.379 176.870 -0.054 0.000 1.078 277 L CA 0.574 55.465 54.840 0.084 0.000 0.749 277 L CB -0.267 41.733 42.059 -0.098 0.000 0.901 277 L HN 0.186 nan 8.230 nan 0.000 0.433 278 I N -0.152 120.287 120.570 -0.218 0.000 2.142 278 I HA -0.257 5.398 4.170 2.476 0.000 0.240 278 I C 2.584 178.614 176.117 -0.145 0.000 1.078 278 I CA 1.748 62.884 61.300 -0.273 0.000 1.343 278 I CB -1.421 36.414 38.000 -0.274 0.000 1.046 278 I HN 0.286 nan 8.210 nan 0.000 0.405 279 T N 0.751 115.272 114.554 -0.054 0.000 2.635 279 T HA -0.250 5.585 4.350 2.476 0.000 0.267 279 T C 1.986 176.706 174.700 0.034 0.000 1.040 279 T CA 1.938 64.042 62.100 0.006 0.000 1.156 279 T CB -0.207 68.677 68.868 0.027 0.000 0.863 279 T HN 0.083 nan 8.240 nan 0.000 0.430 280 K N 1.481 121.924 120.400 0.072 0.000 2.026 280 K HA 0.064 5.869 4.320 2.476 0.000 0.208 280 K C 2.339 178.975 176.600 0.060 0.000 1.048 280 K CA 1.473 57.836 56.287 0.127 0.000 0.929 280 K CB -0.852 31.802 32.500 0.256 0.000 0.713 280 K HN 0.279 nan 8.250 nan 0.000 0.439 281 A N 0.703 123.507 122.820 -0.026 0.000 1.902 281 A HA -0.205 5.601 4.320 2.476 0.000 0.217 281 A C 2.009 179.589 177.584 -0.007 0.000 1.181 281 A CA 1.940 53.866 52.037 -0.184 0.000 0.623 281 A CB -0.593 17.869 19.000 -0.896 0.000 0.818 281 A HN 0.500 nan 8.150 nan 0.000 0.443 282 E N 0.159 120.378 120.200 0.033 0.000 2.085 282 E HA -0.196 5.639 4.350 2.476 0.000 0.194 282 E C 2.415 179.148 176.600 0.223 0.000 0.994 282 E CA 1.630 58.182 56.400 0.253 0.000 0.801 282 E CB -0.226 29.572 29.700 0.165 0.000 0.743 282 E HN 0.818 nan 8.360 nan 0.000 0.453 283 S N 0.807 116.570 115.700 0.105 0.000 2.370 283 S HA -0.176 5.779 4.470 2.476 0.000 0.226 283 S C 2.030 176.643 174.600 0.022 0.000 1.033 283 S CA 0.965 59.197 58.200 0.053 0.000 1.011 283 S CB -0.389 62.822 63.200 0.019 0.000 0.852 283 S HN 0.130 nan 8.310 nan 0.000 0.457 284 L N -0.396 120.824 121.223 -0.006 0.000 2.156 284 L HA 0.110 5.936 4.340 2.476 0.000 0.208 284 L C 2.521 179.486 176.870 0.158 0.000 1.095 284 L CA 1.315 56.121 54.840 -0.057 0.000 0.770 284 L CB -0.670 41.205 42.059 -0.307 0.000 0.914 284 L HN 0.378 nan 8.230 nan 0.000 0.439 285 Y N 0.893 121.368 120.300 0.292 0.000 2.145 285 Y HA -0.293 5.743 4.550 2.476 0.000 0.286 285 Y C 2.098 178.089 175.900 0.151 0.000 1.145 285 Y CA 1.761 60.084 58.100 0.371 0.000 1.148 285 Y CB -0.138 38.609 38.460 0.479 0.000 0.981 285 Y HN 0.216 nan 8.280 nan 0.000 0.507 286 D N -0.127 120.414 120.400 0.235 0.000 2.351 286 D HA -0.141 5.984 4.640 2.476 0.000 0.216 286 D C 1.581 177.861 176.300 -0.033 0.000 0.968 286 D CA 1.192 55.251 54.000 0.097 0.000 0.899 286 D CB -0.162 40.712 40.800 0.124 0.000 0.907 286 D HN 0.507 nan 8.370 nan 0.000 0.514 287 M N -1.413 118.145 119.600 -0.071 0.000 2.428 287 M HA 0.193 6.158 4.480 2.476 0.000 0.239 287 M C 1.062 177.263 176.300 -0.165 0.000 1.121 287 M CA 0.306 55.532 55.300 -0.123 0.000 1.019 287 M CB 1.201 33.707 32.600 -0.157 0.000 1.485 287 M HN 0.115 nan 8.290 nan 0.000 0.484 288 G N 0.378 109.057 108.800 -0.201 0.000 2.192 288 G HA2 -0.168 5.278 3.960 2.476 0.000 0.193 288 G HA3 -0.168 5.278 3.960 2.476 0.000 0.193 288 G C 0.026 174.812 174.900 -0.190 0.000 0.999 288 G CA -0.531 44.439 45.100 -0.216 0.000 0.659 288 G HN 0.221 nan 8.290 nan 0.000 0.503 289 V N 1.972 121.800 119.914 -0.143 0.000 2.529 289 V HA 0.378 5.984 4.120 2.476 0.000 0.292 289 V C 1.291 177.392 176.094 0.011 0.000 1.028 289 V CA 0.295 62.555 62.300 -0.067 0.000 1.074 289 V CB 1.238 33.032 31.823 -0.049 0.000 0.958 289 V HN 0.312 nan 8.190 nan 0.000 0.481 290 R N 2.068 122.560 120.500 -0.013 0.000 2.549 290 R HA 0.328 6.153 4.340 2.476 0.000 0.344 290 R C -0.142 176.233 176.300 0.125 0.000 0.979 290 R CA -0.044 56.155 56.100 0.164 0.000 1.140 290 R CB 1.118 31.490 30.300 0.121 0.000 1.377 290 R HN 0.603 nan 8.270 nan 0.000 0.541 291 S N 0.540 116.107 115.700 -0.221 0.000 2.557 291 S HA 0.692 6.648 4.470 2.476 0.000 0.291 291 S C -1.200 173.121 174.600 -0.465 0.000 1.116 291 S CA -0.422 57.711 58.200 -0.112 0.000 0.992 291 S CB 1.440 64.668 63.200 0.047 0.000 1.028 291 S HN 0.030 nan 8.310 nan 0.000 0.484 292 F N 1.191 121.316 119.950 0.292 0.000 2.576 292 F HA 0.804 6.823 4.527 2.486 0.000 0.313 292 F C 0.121 175.923 175.800 0.003 0.000 1.078 292 F CA -0.820 57.305 58.000 0.210 0.000 0.921 292 F CB 1.861 41.069 39.000 0.346 0.000 1.232 292 F HN 0.620 nan 8.300 nan 0.000 0.459 293 A N 3.038 125.823 122.820 -0.058 0.000 2.374 293 A HA 0.874 6.680 4.320 2.476 0.000 0.305 293 A C -1.278 175.904 177.584 -0.669 0.000 1.053 293 A CA -0.533 51.248 52.037 -0.427 0.000 0.726 293 A CB 0.918 19.488 19.000 -0.718 0.000 1.229 293 A HN 0.713 nan 8.150 nan 0.000 0.431 294 I N 2.166 122.350 120.570 -0.643 0.000 2.406 294 I HA 0.377 6.032 4.170 2.476 0.000 0.290 294 I C -1.178 174.514 176.117 -0.710 0.000 0.999 294 I CA -0.332 60.530 61.300 -0.731 0.000 1.124 294 I CB 1.436 39.054 38.000 -0.636 0.000 1.289 294 I HN 0.684 nan 8.210 nan 0.000 0.441 295 Y N 3.910 123.767 120.300 -0.738 0.000 2.393 295 Y HA 0.239 6.268 4.550 2.466 0.000 0.341 295 Y C -0.383 175.044 175.900 -0.789 0.000 0.988 295 Y CA -0.745 56.995 58.100 -0.599 0.000 1.078 295 Y CB 2.080 40.323 38.460 -0.361 0.000 1.203 295 Y HN 0.631 nan 8.280 nan 0.000 0.453 296 W N 1.782 123.080 121.300 -0.003 0.000 2.653 296 W HA 0.113 6.262 4.660 2.481 0.000 0.391 296 W C -0.184 176.278 176.519 -0.095 0.000 0.962 296 W CA -0.579 56.698 57.345 -0.113 0.000 1.900 296 W CB 0.448 29.826 29.460 -0.137 0.000 1.176 296 W HN 0.409 nan 8.180 nan 0.000 0.582 297 D N -0.078 120.312 120.400 -0.017 0.000 2.339 297 D HA 0.064 6.190 4.640 2.476 0.000 0.245 297 D C 0.188 176.481 176.300 -0.013 0.000 1.115 297 D CA 0.129 54.096 54.000 -0.054 0.000 0.917 297 D CB 1.260 41.787 40.800 -0.455 0.000 1.192 297 D HN -0.064 nan 8.370 nan 0.000 0.428 298 D N -0.903 119.533 120.400 0.061 0.000 3.017 298 D HA -0.142 5.984 4.640 2.476 0.000 0.220 298 D C -0.243 176.080 176.300 0.039 0.000 1.141 298 D CA 0.745 54.772 54.000 0.046 0.000 0.848 298 D CB -1.574 39.272 40.800 0.077 0.000 1.102 298 D HN 0.646 nan 8.370 nan 0.000 0.427 299 I N -4.200 116.396 120.570 0.043 0.000 2.846 299 I HA 0.450 6.105 4.170 2.476 0.000 0.307 299 I C 1.091 177.238 176.117 0.050 0.000 1.053 299 I CA -1.001 60.337 61.300 0.064 0.000 1.050 299 I CB 1.773 39.842 38.000 0.115 0.000 1.239 299 I HN -0.392 nan 8.210 nan 0.000 0.439 300 Q N 1.533 121.368 119.800 0.059 0.000 2.137 300 Q HA -0.007 5.819 4.340 2.476 0.000 0.198 300 Q C -0.126 175.918 176.000 0.073 0.000 0.960 300 Q CA 1.169 56.998 55.803 0.044 0.000 0.847 300 Q CB -0.380 28.383 28.738 0.042 0.000 0.915 300 Q HN 0.837 nan 8.270 nan 0.000 0.448 301 D N 1.059 121.547 120.400 0.147 0.000 2.383 301 D HA 0.010 6.135 4.640 2.476 0.000 0.252 301 D C -0.343 176.091 176.300 0.223 0.000 1.166 301 D CA 0.261 54.385 54.000 0.207 0.000 0.879 301 D CB 0.507 41.506 40.800 0.332 0.000 1.164 301 D HN -0.192 nan 8.370 nan 0.000 0.462 302 K N 2.321 122.789 120.400 0.113 0.000 3.205 302 K HA 0.186 5.991 4.320 2.476 0.000 0.202 302 K C -0.717 175.906 176.600 0.039 0.000 1.160 302 K CA -0.400 55.946 56.287 0.097 0.000 0.995 302 K CB 0.872 33.379 32.500 0.012 0.000 1.041 302 K HN 0.221 nan 8.250 nan 0.000 0.507 303 S N 1.669 117.203 115.700 -0.278 0.000 3.363 303 S HA 0.144 6.099 4.470 2.476 0.000 0.267 303 S C 1.307 175.389 174.600 -0.865 0.000 1.288 303 S CA -0.391 57.530 58.200 -0.466 0.000 0.948 303 S CB 0.772 63.720 63.200 -0.419 0.000 1.397 303 S HN 0.516 nan 8.310 nan 0.000 0.493 304 A N 3.228 125.660 122.820 -0.648 0.000 1.883 304 A HA -0.080 5.725 4.320 2.476 0.000 0.217 304 A C 2.318 179.551 177.584 -0.586 0.000 1.186 304 A CA 1.805 53.334 52.037 -0.847 0.000 0.624 304 A CB -0.959 17.429 19.000 -1.020 0.000 0.822 304 A HN 0.776 nan 8.150 nan 0.000 0.444 305 A N -0.603 121.929 122.820 -0.480 0.000 1.933 305 A HA -0.142 5.664 4.320 2.476 0.000 0.218 305 A C 2.121 179.442 177.584 -0.437 0.000 1.175 305 A CA 1.830 53.630 52.037 -0.395 0.000 0.628 305 A CB -0.374 18.450 19.000 -0.293 0.000 0.814 305 A HN 0.563 nan 8.150 nan 0.000 0.444 306 K N -1.154 118.893 120.400 -0.588 0.000 2.062 306 K HA -0.083 5.723 4.320 2.476 0.000 0.205 306 K C 1.864 178.067 176.600 -0.663 0.000 1.051 306 K CA 1.369 57.203 56.287 -0.754 0.000 0.941 306 K CB -0.342 31.349 32.500 -1.349 0.000 0.719 306 K HN 0.745 nan 8.250 nan 0.000 0.440 307 H N 0.011 118.561 119.070 -0.867 0.000 2.290 307 H HA -0.149 5.893 4.556 2.477 0.000 0.298 307 H C 2.201 177.194 175.328 -0.558 0.000 1.087 307 H CA 0.908 56.305 56.048 -1.085 0.000 1.291 307 H CB -0.024 29.015 29.762 -1.204 0.000 1.369 307 H HN 0.269 nan 8.280 nan 0.000 0.492 308 A N 1.077 123.636 122.820 -0.435 0.000 1.902 308 A HA -0.239 5.566 4.320 2.476 0.000 0.217 308 A C 2.252 179.710 177.584 -0.210 0.000 1.181 308 A CA 1.691 53.441 52.037 -0.479 0.000 0.623 308 A CB -0.584 17.981 19.000 -0.725 0.000 0.818 308 A HN 0.442 nan 8.150 nan 0.000 0.443 309 Q N -0.552 119.126 119.800 -0.203 0.000 2.061 309 Q HA -0.150 5.675 4.340 2.476 0.000 0.204 309 Q C 2.141 178.142 176.000 0.002 0.000 0.984 309 Q CA 1.904 57.639 55.803 -0.113 0.000 0.846 309 Q CB -0.431 28.219 28.738 -0.146 0.000 0.902 309 Q HN 0.478 nan 8.270 nan 0.000 0.421 310 V N 1.010 120.985 119.914 0.102 0.000 2.282 310 V HA -0.305 5.301 4.120 2.476 0.000 0.249 310 V C 2.182 178.512 176.094 0.394 0.000 1.057 310 V CA 1.756 64.259 62.300 0.339 0.000 1.032 310 V CB -0.579 31.602 31.823 0.596 0.000 0.645 310 V HN 0.373 nan 8.190 nan 0.000 0.447 311 L N 0.098 121.513 121.223 0.319 0.000 2.017 311 L HA -0.184 5.641 4.340 2.476 0.000 0.208 311 L C 2.491 179.524 176.870 0.272 0.000 1.073 311 L CA 1.659 56.683 54.840 0.308 0.000 0.745 311 L CB -0.803 41.403 42.059 0.244 0.000 0.894 311 L HN 0.394 nan 8.230 nan 0.000 0.432 312 N N -0.227 118.560 118.700 0.146 0.000 2.120 312 N HA -0.170 6.056 4.740 2.476 0.000 0.188 312 N C 1.916 177.507 175.510 0.135 0.000 1.024 312 N CA 1.032 54.145 53.050 0.106 0.000 0.852 312 N CB -0.309 38.186 38.487 0.012 0.000 1.003 312 N HN 0.234 nan 8.380 nan 0.000 0.424 313 R N -0.133 120.440 120.500 0.122 0.000 2.075 313 R HA -0.026 5.799 4.340 2.476 0.000 0.232 313 R C 2.045 178.563 176.300 0.363 0.000 1.126 313 R CA 0.681 56.815 56.100 0.057 0.000 0.963 313 R CB -0.533 29.540 30.300 -0.378 0.000 0.858 313 R HN 0.223 nan 8.270 nan 0.000 0.435 314 F N 1.915 122.137 119.950 0.454 0.000 2.134 314 F HA -0.241 5.771 4.527 2.476 0.000 0.299 314 F C 2.083 178.053 175.800 0.282 0.000 1.097 314 F CA 1.892 60.147 58.000 0.424 0.000 1.264 314 F CB -0.350 38.814 39.000 0.273 0.000 1.001 314 F HN 0.058 nan 8.300 nan 0.000 0.479 315 N N 0.362 119.313 118.700 0.418 0.000 2.166 315 N HA -0.235 5.991 4.740 2.476 0.000 0.186 315 N C 1.747 177.340 175.510 0.139 0.000 1.019 315 N CA 1.636 54.851 53.050 0.276 0.000 0.856 315 N CB -0.215 38.420 38.487 0.245 0.000 0.993 315 N HN 0.531 nan 8.380 nan 0.000 0.426 316 E N 0.327 120.599 120.200 0.121 0.000 2.033 316 E HA -0.019 5.816 4.350 2.476 0.000 0.189 316 E C 1.292 177.912 176.600 0.033 0.000 0.979 316 E CA 1.190 57.629 56.400 0.065 0.000 0.802 316 E CB -0.095 29.638 29.700 0.054 0.000 0.763 316 E HN 0.440 nan 8.360 nan 0.000 0.449 317 E N -1.404 118.837 120.200 0.067 0.000 2.478 317 E HA 0.021 5.856 4.350 2.476 0.000 0.194 317 E C 0.850 177.432 176.600 -0.030 0.000 1.045 317 E CA 0.125 56.555 56.400 0.051 0.000 0.868 317 E CB 0.252 30.053 29.700 0.169 0.000 0.885 317 E HN 0.267 nan 8.360 nan 0.000 0.505 318 F N -0.584 119.163 119.950 -0.339 0.000 2.362 318 F HA 0.035 6.047 4.527 2.474 0.000 0.264 318 F C 1.860 177.430 175.800 -0.383 0.000 0.905 318 F CA 0.140 57.807 58.000 -0.555 0.000 1.142 318 F CB -0.141 38.139 39.000 -1.201 0.000 1.250 318 F HN -0.269 nan 8.300 nan 0.000 0.771 319 V N 1.769 121.620 119.914 -0.104 0.000 2.233 319 V HA -0.338 5.267 4.120 2.476 0.000 0.247 319 V C 2.156 178.231 176.094 -0.032 0.000 1.050 319 V CA 2.596 64.916 62.300 0.033 0.000 1.010 319 V CB -0.815 31.146 31.823 0.230 0.000 0.637 319 V HN 0.270 nan 8.190 nan 0.000 0.444 320 K N 0.293 120.685 120.400 -0.013 0.000 2.057 320 K HA -0.048 5.757 4.320 2.476 0.000 0.206 320 K C 2.288 178.847 176.600 -0.068 0.000 1.050 320 K CA 1.372 57.651 56.287 -0.013 0.000 0.935 320 K CB -0.439 32.068 32.500 0.011 0.000 0.715 320 K HN 0.462 nan 8.250 nan 0.000 0.439 321 A N 2.021 124.767 122.820 -0.123 0.000 1.972 321 A HA -0.167 5.638 4.320 2.476 0.000 0.219 321 A C 1.837 179.291 177.584 -0.217 0.000 1.169 321 A CA 1.395 53.339 52.037 -0.154 0.000 0.635 321 A CB -0.196 18.704 19.000 -0.167 0.000 0.810 321 A HN 0.175 nan 8.150 nan 0.000 0.446 322 K N -2.020 118.180 120.400 -0.334 0.000 2.167 322 K HA 0.124 5.929 4.320 2.476 0.000 0.203 322 K C 1.587 178.121 176.600 -0.109 0.000 1.052 322 K CA 0.715 56.800 56.287 -0.337 0.000 0.956 322 K CB -0.153 31.936 32.500 -0.685 0.000 0.735 322 K HN 0.639 nan 8.250 nan 0.000 0.451 323 G N 2.507 111.271 108.800 -0.061 0.000 2.347 323 G HA2 -0.298 5.148 3.960 2.476 0.000 0.247 323 G HA3 -0.298 5.148 3.960 2.476 0.000 0.247 323 G C 0.476 175.408 174.900 0.053 0.000 1.037 323 G CA 0.861 45.964 45.100 0.004 0.000 0.622 323 G HN 0.521 nan 8.290 nan 0.000 0.521 324 D N 0.530 120.983 120.400 0.088 0.000 2.525 324 D HA 0.421 6.546 4.640 2.476 0.000 0.229 324 D C 0.406 176.815 176.300 0.182 0.000 1.202 324 D CA -0.172 53.901 54.000 0.123 0.000 0.828 324 D CB 0.229 41.096 40.800 0.113 0.000 1.008 324 D HN 0.369 nan 8.370 nan 0.000 0.493 325 V N 1.073 121.108 119.914 0.202 0.000 2.435 325 V HA 0.198 5.803 4.120 2.476 0.000 0.290 325 V C 0.635 176.888 176.094 0.265 0.000 1.030 325 V CA -1.009 61.473 62.300 0.303 0.000 0.881 325 V CB 1.852 33.912 31.823 0.394 0.000 0.983 325 V HN -0.001 nan 8.190 nan 0.000 0.445 326 K N 4.097 124.661 120.400 0.273 0.000 2.286 326 K HA 0.247 6.053 4.320 2.476 0.000 0.256 326 K C -2.328 174.438 176.600 0.277 0.000 0.999 326 K CA -1.434 54.998 56.287 0.243 0.000 0.908 326 K CB -0.047 32.590 32.500 0.229 0.000 0.981 326 K HN 0.368 nan 8.250 nan 0.000 0.500 327 P HA -0.043 nan 4.420 nan 0.000 0.265 327 P C 0.094 177.557 177.300 0.272 0.000 1.187 327 P CA 0.092 63.337 63.100 0.241 0.000 0.766 327 P CB 0.371 32.197 31.700 0.210 0.000 0.820 328 L N 3.629 125.022 121.223 0.284 0.000 2.490 328 L HA 0.115 5.940 4.340 2.476 0.000 0.274 328 L C 0.167 177.143 176.870 0.176 0.000 1.201 328 L CA 0.300 55.309 54.840 0.281 0.000 0.869 328 L CB 0.033 42.275 42.059 0.305 0.000 1.123 328 L HN 0.302 nan 8.230 nan 0.000 0.484 329 I N 3.294 123.928 120.570 0.108 0.000 2.493 329 I HA 0.415 6.070 4.170 2.476 0.000 0.298 329 I C 0.041 176.182 176.117 0.040 0.000 0.998 329 I CA -0.132 61.186 61.300 0.029 0.000 1.137 329 I CB 2.065 40.038 38.000 -0.045 0.000 1.310 329 I HN 0.491 nan 8.210 nan 0.000 0.445 330 T N 4.323 118.972 114.554 0.159 0.000 2.868 330 T HA 0.612 6.448 4.350 2.476 0.000 0.306 330 T C -1.836 173.076 174.700 0.353 0.000 1.224 330 T CA -0.545 61.727 62.100 0.288 0.000 1.012 330 T CB 1.852 70.974 68.868 0.423 0.000 1.221 330 T HN 0.452 nan 8.240 nan 0.000 0.499 331 V N 4.154 124.299 119.914 0.384 0.000 2.531 331 V HA 0.868 6.474 4.120 2.476 0.000 0.301 331 V C -2.855 173.360 176.094 0.202 0.000 1.034 331 V CA -2.348 60.027 62.300 0.125 0.000 0.865 331 V CB 1.916 33.580 31.823 -0.264 0.000 0.995 331 V HN 0.733 nan 8.190 nan 0.000 0.424 332 P HA 0.368 nan 4.420 nan 0.000 0.277 332 P C 0.796 178.159 177.300 0.105 0.000 1.271 332 P CA -0.032 63.008 63.100 -0.101 0.000 0.795 332 P CB 0.657 31.960 31.700 -0.662 0.000 1.101 333 T N -1.640 112.933 114.554 0.033 0.000 2.821 333 T HA -0.087 5.748 4.350 2.476 0.000 0.267 333 T C 0.356 174.863 174.700 -0.321 0.000 1.046 333 T CA 1.345 63.339 62.100 -0.176 0.000 1.139 333 T CB -0.452 68.193 68.868 -0.372 0.000 0.871 333 T HN 0.477 nan 8.240 nan 0.000 0.454 334 E N 1.121 121.060 120.200 -0.434 0.000 2.105 334 E HA 0.228 6.064 4.350 2.476 0.000 0.285 334 E C -0.273 176.266 176.600 -0.102 0.000 1.055 334 E CA -0.335 55.891 56.400 -0.290 0.000 0.843 334 E CB 0.459 30.069 29.700 -0.149 0.000 1.067 334 E HN 0.702 nan 8.360 nan 0.000 0.398 335 Y N 0.984 121.245 120.300 -0.065 0.000 2.610 335 Y HA 0.248 6.288 4.550 2.483 0.000 0.254 335 Y C -0.131 175.834 175.900 0.109 0.000 1.110 335 Y CA -0.811 57.288 58.100 -0.002 0.000 1.238 335 Y CB 0.538 38.920 38.460 -0.129 0.000 1.322 335 Y HN 0.244 nan 8.280 nan 0.000 0.547 336 D N -0.466 119.917 120.400 -0.028 0.000 2.477 336 D HA 0.191 6.317 4.640 2.476 0.000 0.234 336 D C -0.030 176.354 176.300 0.139 0.000 1.048 336 D CA -0.488 53.593 54.000 0.135 0.000 0.959 336 D CB 2.328 43.125 40.800 -0.005 0.000 1.408 336 D HN -0.037 nan 8.370 nan 0.000 0.496 337 T N 0.671 115.365 114.554 0.233 0.000 2.746 337 T HA -0.035 5.801 4.350 2.476 0.000 0.267 337 T C 1.908 176.647 174.700 0.066 0.000 1.039 337 T CA 1.579 63.784 62.100 0.175 0.000 1.142 337 T CB -0.633 68.364 68.868 0.216 0.000 0.866 337 T HN 0.704 nan 8.240 nan 0.000 0.444 338 G N 1.248 110.068 108.800 0.035 0.000 2.505 338 G HA2 -0.156 5.290 3.960 2.476 0.000 0.220 338 G HA3 -0.156 5.290 3.960 2.476 0.000 0.220 338 G C 1.749 176.616 174.900 -0.055 0.000 1.145 338 G CA 1.044 46.137 45.100 -0.013 0.000 0.761 338 G HN 0.609 nan 8.290 nan 0.000 0.571 339 A N -0.086 122.674 122.820 -0.100 0.000 1.970 339 A HA 0.308 6.114 4.320 2.476 0.000 0.216 339 A C 2.392 179.921 177.584 -0.092 0.000 1.170 339 A CA 1.405 53.350 52.037 -0.154 0.000 0.645 339 A CB -0.145 18.671 19.000 -0.307 0.000 0.816 339 A HN 0.378 nan 8.150 nan 0.000 0.447 340 M N -0.870 118.710 119.600 -0.033 0.000 2.388 340 M HA 0.092 6.057 4.480 2.476 0.000 0.265 340 M C -0.402 175.907 176.300 0.015 0.000 1.088 340 M CA 0.676 55.988 55.300 0.019 0.000 1.134 340 M CB 0.436 33.081 32.600 0.075 0.000 1.384 340 M HN 0.062 nan 8.290 nan 0.000 0.447 341 V N -0.615 119.302 119.914 0.006 0.000 2.656 341 V HA 0.442 6.047 4.120 2.476 0.000 0.307 341 V C -0.737 175.353 176.094 -0.007 0.000 1.051 341 V CA -0.779 61.521 62.300 0.000 0.000 0.893 341 V CB 1.923 33.750 31.823 0.007 0.000 0.999 341 V HN 0.081 nan 8.190 nan 0.000 0.426 342 S N 4.085 119.778 115.700 -0.011 0.000 2.756 342 S HA 0.458 6.414 4.470 2.476 0.000 0.303 342 S C -0.070 174.523 174.600 -0.012 0.000 1.135 342 S CA -0.543 57.649 58.200 -0.013 0.000 1.066 342 S CB 0.164 63.353 63.200 -0.017 0.000 1.008 342 S HN 0.857 nan 8.310 nan 0.000 0.482 343 N N 3.319 122.013 118.700 -0.009 0.000 2.727 343 N HA -0.183 6.043 4.740 2.476 0.000 0.251 343 N C 0.888 176.392 175.510 -0.011 0.000 1.040 343 N CA 1.358 54.403 53.050 -0.009 0.000 0.712 343 N CB -1.580 36.901 38.487 -0.010 0.000 0.912 343 N HN 1.472 nan 8.380 nan 0.000 0.545 344 G N -1.465 107.329 108.800 -0.010 0.000 2.220 344 G HA2 -0.346 5.099 3.960 2.476 0.000 0.269 344 G HA3 -0.346 5.099 3.960 2.476 0.000 0.269 344 G C -0.133 174.754 174.900 -0.022 0.000 0.977 344 G CA 0.814 45.906 45.100 -0.014 0.000 0.634 344 G HN 0.504 nan 8.290 nan 0.000 0.539 345 Q N 0.428 120.214 119.800 -0.022 0.000 2.342 345 Q HA 0.449 6.275 4.340 2.476 0.000 0.267 345 Q C -2.584 173.398 176.000 -0.030 0.000 1.038 345 Q CA -2.038 53.747 55.803 -0.030 0.000 0.832 345 Q CB 2.510 31.230 28.738 -0.029 0.000 1.323 345 Q HN 0.237 nan 8.270 nan 0.000 0.448 346 P HA 0.027 nan 4.420 nan 0.000 0.264 346 P C -0.138 177.146 177.300 -0.026 0.000 1.193 346 P CA 0.221 63.297 63.100 -0.039 0.000 0.763 346 P CB 0.782 32.437 31.700 -0.075 0.000 0.810 347 R N 2.139 122.635 120.500 -0.007 0.000 2.863 347 R HA 0.186 6.012 4.340 2.476 0.000 0.273 347 R C 1.809 178.114 176.300 0.009 0.000 1.057 347 R CA -0.051 56.050 56.100 0.001 0.000 1.191 347 R CB -0.102 30.204 30.300 0.010 0.000 1.104 347 R HN 0.465 nan 8.270 nan 0.000 0.519 348 A N 1.084 123.910 122.820 0.010 0.000 1.883 348 A HA -0.246 5.560 4.320 2.476 0.000 0.217 348 A C 2.041 179.628 177.584 0.005 0.000 1.186 348 A CA 1.595 53.629 52.037 -0.005 0.000 0.624 348 A CB -0.827 18.169 19.000 -0.008 0.000 0.822 348 A HN 0.862 nan 8.150 nan 0.000 0.444 349 Y N 0.977 121.243 120.300 -0.057 0.000 2.097 349 Y HA -0.233 5.802 4.550 2.475 0.000 0.282 349 Y C 2.746 178.641 175.900 -0.010 0.000 1.152 349 Y CA 2.619 60.688 58.100 -0.050 0.000 1.136 349 Y CB -0.672 37.750 38.460 -0.063 0.000 0.975 349 Y HN 0.303 nan 8.280 nan 0.000 0.498 350 T N 0.953 115.620 114.554 0.187 0.000 2.746 350 T HA -0.221 5.615 4.350 2.476 0.000 0.267 350 T C 1.923 176.582 174.700 -0.069 0.000 1.039 350 T CA 1.643 63.806 62.100 0.106 0.000 1.142 350 T CB -0.369 68.562 68.868 0.105 0.000 0.866 350 T HN 0.347 nan 8.240 nan 0.000 0.444 351 R N 0.589 121.040 120.500 -0.082 0.000 2.080 351 R HA -0.084 5.742 4.340 2.476 0.000 0.236 351 R C 2.336 178.549 176.300 -0.145 0.000 1.137 351 R CA 1.666 57.690 56.100 -0.126 0.000 0.943 351 R CB -0.472 29.773 30.300 -0.092 0.000 0.846 351 R HN 0.387 nan 8.270 nan 0.000 0.431 352 I N -0.106 120.373 120.570 -0.153 0.000 2.252 352 I HA -0.230 5.426 4.170 2.476 0.000 0.245 352 I C 2.190 178.192 176.117 -0.192 0.000 1.102 352 I CA 1.049 62.238 61.300 -0.185 0.000 1.385 352 I CB -0.308 37.561 38.000 -0.219 0.000 1.064 352 I HN 0.179 nan 8.210 nan 0.000 0.414 353 F N 1.637 121.357 119.950 -0.384 0.000 2.075 353 F HA -0.272 5.740 4.527 2.475 0.000 0.297 353 F C 2.577 178.291 175.800 -0.144 0.000 1.113 353 F CA 1.648 59.471 58.000 -0.296 0.000 1.218 353 F CB -0.231 38.579 39.000 -0.317 0.000 0.984 353 F HN 0.013 nan 8.300 nan 0.000 0.472 354 A N 0.545 123.363 122.820 -0.003 0.000 1.917 354 A HA -0.309 5.497 4.320 2.476 0.000 0.219 354 A C 2.059 179.545 177.584 -0.164 0.000 1.182 354 A CA 2.117 53.966 52.037 -0.314 0.000 0.633 354 A CB -1.193 17.339 19.000 -0.780 0.000 0.819 354 A HN 0.704 nan 8.150 nan 0.000 0.448 355 E N -1.426 118.676 120.200 -0.164 0.000 2.427 355 E HA -0.060 5.776 4.350 2.476 0.000 0.196 355 E C 1.325 177.847 176.600 -0.129 0.000 1.028 355 E CA 1.367 57.689 56.400 -0.130 0.000 0.864 355 E CB -0.276 29.350 29.700 -0.123 0.000 0.813 355 E HN 0.464 nan 8.360 nan 0.000 0.514 356 T N 0.395 114.843 114.554 -0.176 0.000 3.042 356 T HA 0.105 5.940 4.350 2.476 0.000 0.245 356 T C 0.636 175.213 174.700 -0.206 0.000 1.029 356 T CA 0.085 62.064 62.100 -0.202 0.000 1.120 356 T CB 0.517 69.223 68.868 -0.269 0.000 0.917 356 T HN 0.055 nan 8.240 nan 0.000 0.467 357 V N 3.689 123.442 119.914 -0.269 0.000 2.585 357 V HA 0.102 5.708 4.120 2.476 0.000 0.296 357 V C -0.308 175.761 176.094 -0.041 0.000 1.035 357 V CA -0.488 61.683 62.300 -0.214 0.000 1.084 357 V CB 0.294 31.927 31.823 -0.317 0.000 0.953 357 V HN 0.336 nan 8.190 nan 0.000 0.483 358 D N 8.229 128.625 120.400 -0.007 0.000 2.449 358 D HA 0.083 6.209 4.640 2.476 0.000 0.236 358 D C -1.558 174.785 176.300 0.073 0.000 1.149 358 D CA -0.901 53.120 54.000 0.035 0.000 0.878 358 D CB 1.207 42.038 40.800 0.052 0.000 1.198 358 D HN 0.434 nan 8.370 nan 0.000 0.446 359 P HA -0.120 nan 4.420 nan 0.000 0.221 359 P C 1.087 178.449 177.300 0.104 0.000 1.145 359 P CA 1.037 64.192 63.100 0.091 0.000 0.795 359 P CB 0.157 31.898 31.700 0.070 0.000 0.775 360 S N -1.866 113.896 115.700 0.103 0.000 2.603 360 S HA 0.064 6.020 4.470 2.476 0.000 0.220 360 S C 0.753 175.436 174.600 0.138 0.000 0.967 360 S CA -0.032 58.239 58.200 0.117 0.000 0.920 360 S CB -0.937 62.331 63.200 0.113 0.000 0.773 360 S HN 0.030 nan 8.310 nan 0.000 0.529 361 I N 2.668 123.323 120.570 0.140 0.000 2.395 361 I HA 0.189 5.844 4.170 2.476 0.000 0.289 361 I C 0.225 176.424 176.117 0.136 0.000 1.023 361 I CA -0.316 61.077 61.300 0.155 0.000 1.350 361 I CB 0.851 38.950 38.000 0.165 0.000 1.409 361 I HN 0.127 nan 8.210 nan 0.000 0.507 362 E N 5.964 126.231 120.200 0.111 0.000 2.257 362 E HA 0.209 6.044 4.350 2.476 0.000 0.278 362 E C -0.881 175.739 176.600 0.033 0.000 1.049 362 E CA -0.218 56.210 56.400 0.047 0.000 0.876 362 E CB 1.605 31.273 29.700 -0.054 0.000 1.035 362 E HN 0.237 nan 8.360 nan 0.000 0.419 363 V N 5.307 125.227 119.914 0.011 0.000 2.398 363 V HA 0.323 5.929 4.120 2.476 0.000 0.286 363 V C 0.360 176.460 176.094 0.009 0.000 1.026 363 V CA -0.564 61.724 62.300 -0.020 0.000 0.868 363 V CB 1.147 32.812 31.823 -0.263 0.000 0.982 363 V HN 0.567 nan 8.190 nan 0.000 0.443 364 M N 4.871 124.516 119.600 0.076 0.000 2.367 364 M HA 0.621 6.587 4.480 2.476 0.000 0.339 364 M C -0.663 175.811 176.300 0.290 0.000 1.177 364 M CA -0.235 55.175 55.300 0.184 0.000 1.068 364 M CB 1.566 34.262 32.600 0.161 0.000 1.602 364 M HN 0.879 nan 8.290 nan 0.000 0.457 365 W N 0.963 122.305 121.300 0.071 0.000 3.083 365 W HA 0.581 6.729 4.660 2.480 0.000 0.333 365 W C -0.157 176.484 176.519 0.204 0.000 1.217 365 W CA -0.635 56.777 57.345 0.111 0.000 1.170 365 W CB 1.059 30.573 29.460 0.090 0.000 1.437 365 W HN 0.737 nan 8.180 nan 0.000 0.557 366 T N 0.186 114.602 114.554 -0.230 0.000 3.060 366 T HA 0.525 6.360 4.350 2.476 0.000 0.249 366 T C 0.806 175.310 174.700 -0.327 0.000 1.079 366 T CA 0.635 62.626 62.100 -0.182 0.000 1.013 366 T CB -0.222 68.663 68.868 0.029 0.000 0.975 366 T HN 1.900 nan 8.240 nan 0.000 0.518 367 G N 1.807 110.073 108.800 -0.889 0.000 2.396 367 G HA2 -0.029 5.416 3.960 2.476 0.000 0.254 367 G HA3 -0.029 5.416 3.960 2.476 0.000 0.254 367 G C -2.525 172.455 174.900 0.132 0.000 1.248 367 G CA -0.364 44.538 45.100 -0.330 0.000 1.033 367 G HN 0.012 nan 8.290 nan 0.000 0.502 368 P HA 0.170 nan 4.420 nan 0.000 0.219 368 P C 1.050 178.420 177.300 0.117 0.000 1.146 368 P CA 2.356 65.567 63.100 0.184 0.000 0.808 368 P CB 0.010 31.801 31.700 0.152 0.000 0.779 369 G N -2.708 106.147 108.800 0.091 0.000 2.725 369 G HA2 0.348 5.793 3.960 2.476 0.000 0.288 369 G HA3 0.348 5.793 3.960 2.476 0.000 0.288 369 G C 0.565 175.498 174.900 0.055 0.000 1.399 369 G CA -0.477 44.658 45.100 0.059 0.000 0.859 369 G HN -0.226 nan 8.290 nan 0.000 0.479 370 V N -0.544 119.416 119.914 0.077 0.000 2.270 370 V HA -0.004 5.601 4.120 2.476 0.000 0.245 370 V C 0.948 177.069 176.094 0.044 0.000 1.043 370 V CA 1.155 63.535 62.300 0.133 0.000 1.014 370 V CB -0.446 31.485 31.823 0.181 0.000 0.645 370 V HN 0.359 nan 8.190 nan 0.000 0.447 371 V N 0.135 120.060 119.914 0.018 0.000 2.376 371 V HA 0.593 6.198 4.120 2.476 0.000 0.287 371 V C -0.358 175.639 176.094 -0.162 0.000 1.015 371 V CA -0.063 62.119 62.300 -0.197 0.000 0.834 371 V CB 1.303 32.884 31.823 -0.402 0.000 1.001 371 V HN 0.420 nan 8.190 nan 0.000 0.428 372 T N 2.697 117.136 114.554 -0.191 0.000 2.900 372 T HA 0.335 6.170 4.350 2.476 0.000 0.303 372 T C 0.776 175.502 174.700 0.043 0.000 1.142 372 T CA -0.515 61.565 62.100 -0.033 0.000 1.007 372 T CB 1.772 70.673 68.868 0.056 0.000 1.156 372 T HN 0.542 nan 8.240 nan 0.000 0.490 373 N N 1.640 120.389 118.700 0.082 0.000 2.120 373 N HA 0.028 6.254 4.740 2.476 0.000 0.188 373 N C 0.124 175.756 175.510 0.204 0.000 1.024 373 N CA 1.249 54.368 53.050 0.115 0.000 0.852 373 N CB 0.144 38.672 38.487 0.069 0.000 1.003 373 N HN 0.690 nan 8.380 nan 0.000 0.424 374 E N -0.805 119.523 120.200 0.213 0.000 2.413 374 E HA 0.435 6.271 4.350 2.476 0.000 0.277 374 E C -0.837 175.854 176.600 0.151 0.000 0.958 374 E CA -0.522 55.957 56.400 0.132 0.000 0.779 374 E CB 2.396 32.115 29.700 0.032 0.000 1.278 374 E HN -0.081 nan 8.360 nan 0.000 0.456 375 I N 2.616 123.184 120.570 -0.004 0.000 2.460 375 I HA 0.285 5.940 4.170 2.476 0.000 0.277 375 I C -2.426 173.727 176.117 0.061 0.000 1.057 375 I CA -2.065 59.261 61.300 0.044 0.000 1.179 375 I CB 0.731 38.711 38.000 -0.035 0.000 1.329 375 I HN 0.089 nan 8.210 nan 0.000 0.478 376 P HA 0.105 nan 4.420 nan 0.000 0.274 376 P C 0.724 178.106 177.300 0.135 0.000 1.246 376 P CA -0.558 62.595 63.100 0.089 0.000 0.795 376 P CB 1.193 32.940 31.700 0.077 0.000 1.006 377 L N 2.127 123.431 121.223 0.136 0.000 2.079 377 L HA -0.218 5.607 4.340 2.476 0.000 0.210 377 L C 2.188 179.141 176.870 0.139 0.000 1.081 377 L CA 2.562 57.517 54.840 0.191 0.000 0.752 377 L CB -1.451 40.725 42.059 0.195 0.000 0.896 377 L HN 0.451 nan 8.230 nan 0.000 0.433 378 S N -1.840 113.914 115.700 0.090 0.000 2.419 378 S HA -0.245 5.711 4.470 2.476 0.000 0.233 378 S C 1.797 176.402 174.600 0.007 0.000 1.016 378 S CA 1.345 59.563 58.200 0.030 0.000 0.974 378 S CB -0.794 62.430 63.200 0.040 0.000 0.786 378 S HN 0.641 nan 8.310 nan 0.000 0.492 379 D N 1.886 122.338 120.400 0.086 0.000 2.123 379 D HA 0.111 6.236 4.640 2.476 0.000 0.200 379 D C 2.110 178.475 176.300 0.107 0.000 0.976 379 D CA 1.212 55.298 54.000 0.143 0.000 0.831 379 D CB -0.503 40.462 40.800 0.275 0.000 0.974 379 D HN 0.467 nan 8.370 nan 0.000 0.469 380 A N 0.191 123.111 122.820 0.166 0.000 1.933 380 A HA -0.225 5.581 4.320 2.476 0.000 0.218 380 A C 2.162 179.469 177.584 -0.462 0.000 1.175 380 A CA 1.712 53.770 52.037 0.035 0.000 0.628 380 A CB -0.825 18.387 19.000 0.353 0.000 0.814 380 A HN 0.395 nan 8.150 nan 0.000 0.444 381 Q N -0.911 118.459 119.800 -0.717 0.000 2.050 381 Q HA -0.197 5.629 4.340 2.476 0.000 0.202 381 Q C 2.016 177.702 176.000 -0.524 0.000 0.980 381 Q CA 1.729 56.848 55.803 -1.139 0.000 0.840 381 Q CB -0.253 28.052 28.738 -0.720 0.000 0.898 381 Q HN 0.504 nan 8.270 nan 0.000 0.424 382 L N 0.859 121.904 121.223 -0.297 0.000 1.989 382 L HA -0.229 5.596 4.340 2.476 0.000 0.211 382 L C 2.162 178.909 176.870 -0.205 0.000 1.071 382 L CA 1.690 56.420 54.840 -0.182 0.000 0.749 382 L CB -0.726 41.276 42.059 -0.096 0.000 0.890 382 L HN 0.326 nan 8.230 nan 0.000 0.431 383 I N -1.193 119.198 120.570 -0.299 0.000 2.252 383 I HA -0.212 5.444 4.170 2.476 0.000 0.245 383 I C 2.755 178.729 176.117 -0.239 0.000 1.102 383 I CA 1.578 62.664 61.300 -0.356 0.000 1.385 383 I CB -1.746 35.723 38.000 -0.885 0.000 1.064 383 I HN 0.347 nan 8.210 nan 0.000 0.414 384 S N 0.989 116.507 115.700 -0.304 0.000 2.374 384 S HA -0.164 5.792 4.470 2.476 0.000 0.227 384 S C 2.184 176.766 174.600 -0.031 0.000 1.037 384 S CA 1.802 59.930 58.200 -0.120 0.000 1.024 384 S CB -0.671 62.491 63.200 -0.062 0.000 0.861 384 S HN 0.545 nan 8.310 nan 0.000 0.456 385 G N 0.935 109.680 108.800 -0.093 0.000 2.408 385 G HA2 -0.097 5.348 3.960 2.476 0.000 0.217 385 G HA3 -0.097 5.348 3.960 2.476 0.000 0.217 385 G C 1.405 176.279 174.900 -0.042 0.000 1.150 385 G CA 0.833 45.905 45.100 -0.047 0.000 0.776 385 G HN 0.569 nan 8.290 nan 0.000 0.542 386 I N -0.939 119.594 120.570 -0.061 0.000 2.226 386 I HA -0.145 5.510 4.170 2.476 0.000 0.245 386 I C 1.987 178.001 176.117 -0.171 0.000 1.100 386 I CA 1.008 62.242 61.300 -0.110 0.000 1.374 386 I CB -0.084 37.848 38.000 -0.112 0.000 1.057 386 I HN 0.140 nan 8.210 nan 0.000 0.413 387 Y N 1.161 121.435 120.300 -0.042 0.000 2.466 387 Y HA -0.027 6.010 4.550 2.480 0.000 0.272 387 Y C 0.529 176.436 175.900 0.012 0.000 1.169 387 Y CA -0.475 57.627 58.100 0.003 0.000 1.285 387 Y CB -0.499 37.972 38.460 0.017 0.000 1.078 387 Y HN 0.318 nan 8.280 nan 0.000 0.523 388 D N 1.613 122.070 120.400 0.095 0.000 3.172 388 D HA -0.278 5.847 4.640 2.476 0.000 0.196 388 D C -0.396 175.973 176.300 0.114 0.000 1.270 388 D CA 0.771 54.822 54.000 0.084 0.000 0.665 388 D CB -0.919 39.910 40.800 0.047 0.000 0.923 388 D HN 0.636 nan 8.370 nan 0.000 0.400 389 R N -0.680 119.903 120.500 0.138 0.000 2.710 389 R HA 0.527 6.353 4.340 2.476 0.000 0.270 389 R C -1.044 175.335 176.300 0.132 0.000 1.021 389 R CA -1.113 55.066 56.100 0.133 0.000 0.889 389 R CB 0.449 30.836 30.300 0.146 0.000 1.243 389 R HN -0.090 nan 8.270 nan 0.000 0.464 390 N N 1.407 120.189 118.700 0.137 0.000 2.454 390 N HA 0.080 6.305 4.740 2.476 0.000 0.260 390 N C -0.325 175.277 175.510 0.154 0.000 1.218 390 N CA 0.118 53.263 53.050 0.158 0.000 0.904 390 N CB 0.477 39.057 38.487 0.154 0.000 1.065 390 N HN 0.264 nan 8.380 nan 0.000 0.462 391 M N 1.686 121.387 119.600 0.168 0.000 2.359 391 M HA 0.440 6.405 4.480 2.476 0.000 0.322 391 M C 0.164 176.657 176.300 0.320 0.000 1.166 391 M CA -0.939 54.465 55.300 0.172 0.000 1.067 391 M CB 1.029 33.654 32.600 0.042 0.000 1.523 391 M HN 0.500 nan 8.290 nan 0.000 0.467 392 A N 1.830 124.827 122.820 0.297 0.000 2.312 392 A HA 0.710 6.515 4.320 2.476 0.000 0.328 392 A C -0.664 177.182 177.584 0.437 0.000 1.158 392 A CA -0.651 51.573 52.037 0.312 0.000 0.821 392 A CB 0.831 19.776 19.000 -0.092 0.000 1.170 392 A HN 0.589 nan 8.150 nan 0.000 0.490 393 V N 2.643 122.787 119.914 0.383 0.000 2.398 393 V HA 0.270 5.875 4.120 2.476 0.000 0.286 393 V C -0.651 175.505 176.094 0.104 0.000 1.026 393 V CA -0.527 61.890 62.300 0.196 0.000 0.868 393 V CB 1.469 33.385 31.823 0.155 0.000 0.982 393 V HN 0.875 nan 8.190 nan 0.000 0.443 394 W N 7.028 128.271 121.300 -0.095 0.000 2.288 394 W HA 0.297 6.472 4.660 2.525 0.000 0.325 394 W C -0.701 175.785 176.519 -0.054 0.000 1.019 394 W CA -1.518 55.749 57.345 -0.131 0.000 1.403 394 W CB 1.096 30.435 29.460 -0.203 0.000 1.226 394 W HN 0.731 nan 8.180 nan 0.000 0.391 395 W N 8.617 129.802 121.300 -0.192 0.000 2.357 395 W HA 0.147 6.284 4.660 2.462 0.000 0.317 395 W C 0.081 176.642 176.519 0.070 0.000 1.101 395 W CA -0.450 56.852 57.345 -0.071 0.000 1.380 395 W CB 0.725 30.083 29.460 -0.170 0.000 1.266 395 W HN 0.272 nan 8.180 nan 0.000 0.419 396 N N 6.117 124.731 118.700 -0.143 0.000 3.210 396 N HA -0.049 6.176 4.740 2.476 0.000 0.314 396 N C -1.423 173.956 175.510 -0.220 0.000 1.291 396 N CA 0.572 53.577 53.050 -0.075 0.000 1.202 396 N CB -0.417 38.089 38.487 0.031 0.000 1.475 396 N HN 0.421 nan 8.380 nan 0.000 0.554 397 Y N 0.130 120.209 120.300 -0.368 0.000 2.436 397 Y HA 0.286 6.321 4.550 2.475 0.000 0.327 397 Y C -2.320 173.631 175.900 0.086 0.000 1.138 397 Y CA -1.568 56.447 58.100 -0.142 0.000 1.042 397 Y CB 2.415 40.739 38.460 -0.228 0.000 1.302 397 Y HN 0.020 nan 8.280 nan 0.000 0.439 398 P HA 0.015 nan 4.420 nan 0.000 0.256 398 P C 0.118 177.234 177.300 -0.307 0.000 1.384 398 P CA 0.317 63.084 63.100 -0.555 0.000 0.879 398 P CB 0.306 31.848 31.700 -0.263 0.000 1.403 399 V N 2.225 122.076 119.914 -0.104 0.000 2.720 399 V HA -0.021 5.585 4.120 2.476 0.000 0.307 399 V C 1.180 177.202 176.094 -0.121 0.000 1.071 399 V CA 1.837 64.112 62.300 -0.041 0.000 1.199 399 V CB 0.274 32.179 31.823 0.137 0.000 0.900 399 V HN 0.385 nan 8.190 nan 0.000 0.494 400 T N 0.582 114.997 114.554 -0.232 0.000 3.231 400 T HA 0.172 6.007 4.350 2.476 0.000 0.292 400 T C 0.784 175.250 174.700 -0.389 0.000 1.001 400 T CA 0.286 62.131 62.100 -0.424 0.000 0.920 400 T CB -0.119 68.592 68.868 -0.260 0.000 1.140 400 T HN 0.832 nan 8.240 nan 0.000 0.525 401 D N 1.756 122.067 120.400 -0.148 0.000 2.351 401 D HA -0.172 5.954 4.640 2.476 0.000 0.216 401 D C 1.349 177.708 176.300 0.097 0.000 0.968 401 D CA 0.757 54.778 54.000 0.035 0.000 0.899 401 D CB -0.668 40.276 40.800 0.239 0.000 0.907 401 D HN 0.762 nan 8.370 nan 0.000 0.514 402 Y N -2.882 117.495 120.300 0.129 0.000 2.449 402 Y HA 0.428 6.461 4.550 2.472 0.000 0.254 402 Y C 0.006 176.016 175.900 0.184 0.000 1.140 402 Y CA -1.209 56.977 58.100 0.143 0.000 1.272 402 Y CB 0.033 38.562 38.460 0.115 0.000 1.114 402 Y HN -0.102 nan 8.280 nan 0.000 0.525 403 F N 1.620 121.286 119.950 -0.474 0.000 2.883 403 F HA 0.404 6.414 4.527 2.473 0.000 0.383 403 F C 0.428 176.038 175.800 -0.316 0.000 1.342 403 F CA -1.461 56.335 58.000 -0.341 0.000 1.150 403 F CB 0.436 39.211 39.000 -0.375 0.000 2.189 403 F HN -0.175 nan 8.300 nan 0.000 0.593 404 K N 0.571 120.789 120.400 -0.304 0.000 2.288 404 K HA 0.017 5.822 4.320 2.476 0.000 0.201 404 K C 2.050 178.468 176.600 -0.304 0.000 1.048 404 K CA 0.978 57.169 56.287 -0.160 0.000 0.956 404 K CB 0.021 32.584 32.500 0.105 0.000 0.746 404 K HN 0.646 nan 8.250 nan 0.000 0.461 405 G N 1.618 109.895 108.800 -0.871 0.000 2.471 405 G HA2 -0.196 5.250 3.960 2.476 0.000 0.219 405 G HA3 -0.196 5.250 3.960 2.476 0.000 0.219 405 G C 0.481 175.017 174.900 -0.608 0.000 1.125 405 G CA 0.266 44.633 45.100 -1.223 0.000 0.775 405 G HN 0.149 nan 8.290 nan 0.000 0.548 406 K N 0.059 120.180 120.400 -0.464 0.000 2.138 406 K HA 0.568 6.373 4.320 2.476 0.000 0.263 406 K C -0.543 175.997 176.600 -0.100 0.000 0.965 406 K CA -0.712 55.459 56.287 -0.193 0.000 0.868 406 K CB 0.946 33.440 32.500 -0.009 0.000 1.083 406 K HN -0.026 nan 8.250 nan 0.000 0.443 407 L N 2.910 124.094 121.223 -0.065 0.000 2.312 407 L HA 0.436 6.261 4.340 2.476 0.000 0.281 407 L C -0.101 176.740 176.870 -0.048 0.000 1.070 407 L CA -0.779 54.044 54.840 -0.028 0.000 0.805 407 L CB 1.664 43.716 42.059 -0.011 0.000 1.174 407 L HN 0.698 nan 8.230 nan 0.000 0.434 408 A N 4.292 127.067 122.820 -0.075 0.000 2.341 408 A HA 0.548 6.354 4.320 2.476 0.000 0.326 408 A C -0.003 177.570 177.584 -0.020 0.000 1.402 408 A CA -0.282 51.668 52.037 -0.145 0.000 0.957 408 A CB 0.205 18.906 19.000 -0.499 0.000 1.151 408 A HN 0.578 nan 8.150 nan 0.000 0.533 409 L N 2.765 124.058 121.223 0.116 0.000 3.066 409 L HA 0.300 6.125 4.340 2.476 0.000 0.265 409 L C 1.161 178.305 176.870 0.457 0.000 1.232 409 L CA 0.153 55.139 54.840 0.242 0.000 1.031 409 L CB 0.024 42.180 42.059 0.161 0.000 1.379 409 L HN 0.713 nan 8.230 nan 0.000 0.563 410 G N -0.132 108.939 108.800 0.451 0.000 2.531 410 G HA2 0.620 6.066 3.960 2.476 0.000 0.313 410 G HA3 0.620 6.066 3.960 2.476 0.000 0.313 410 G C -2.673 172.536 174.900 0.516 0.000 1.238 410 G CA -0.930 44.373 45.100 0.339 0.000 0.994 410 G HN -0.069 nan 8.290 nan 0.000 0.493 411 P HA 0.237 nan 4.420 nan 0.000 0.279 411 P C -0.130 177.361 177.300 0.317 0.000 1.276 411 P CA -0.645 62.745 63.100 0.482 0.000 0.801 411 P CB 0.716 32.740 31.700 0.540 0.000 1.127 412 M N 1.253 121.060 119.600 0.346 0.000 2.284 412 M HA 0.017 5.982 4.480 2.476 0.000 0.351 412 M C 0.549 176.894 176.300 0.075 0.000 1.443 412 M CA 1.205 56.562 55.300 0.095 0.000 1.031 412 M CB -1.626 30.812 32.600 -0.269 0.000 1.893 412 M HN 0.491 nan 8.290 nan 0.000 0.456 413 H N 0.890 119.848 119.070 -0.186 0.000 2.966 413 H HA 0.408 6.448 4.556 2.474 0.000 0.347 413 H C 0.628 175.834 175.328 -0.202 0.000 1.048 413 H CA 0.882 56.767 56.048 -0.270 0.000 1.295 413 H CB 1.310 30.823 29.762 -0.415 0.000 1.744 413 H HN 0.847 nan 8.280 nan 0.000 0.513 414 G N 4.061 112.467 108.800 -0.657 0.000 2.194 414 G HA2 -0.223 5.222 3.960 2.476 0.000 0.236 414 G HA3 -0.223 5.222 3.960 2.476 0.000 0.236 414 G C -0.113 174.590 174.900 -0.329 0.000 0.987 414 G CA 0.106 44.957 45.100 -0.415 0.000 0.635 414 G HN 0.513 nan 8.290 nan 0.000 0.520 415 L N 2.044 122.979 121.223 -0.479 0.000 2.281 415 L HA 0.354 6.179 4.340 2.476 0.000 0.285 415 L C 0.575 177.319 176.870 -0.210 0.000 1.074 415 L CA -0.772 53.770 54.840 -0.498 0.000 0.817 415 L CB 0.992 42.479 42.059 -0.954 0.000 1.168 415 L HN 0.152 nan 8.230 nan 0.000 0.434 416 D N 3.851 124.216 120.400 -0.058 0.000 2.533 416 D HA -0.087 6.039 4.640 2.476 0.000 0.236 416 D C 0.746 177.121 176.300 0.125 0.000 1.137 416 D CA 0.184 54.211 54.000 0.046 0.000 0.867 416 D CB 1.026 41.876 40.800 0.083 0.000 1.170 416 D HN 0.478 nan 8.370 nan 0.000 0.474 417 K N 2.497 122.975 120.400 0.130 0.000 2.519 417 K HA -0.066 5.739 4.320 2.476 0.000 0.196 417 K C 1.381 178.008 176.600 0.045 0.000 1.041 417 K CA 0.489 56.854 56.287 0.130 0.000 0.954 417 K CB 0.167 32.744 32.500 0.128 0.000 0.774 417 K HN 0.446 nan 8.250 nan 0.000 0.480 418 G N 0.495 109.328 108.800 0.054 0.000 3.502 418 G HA2 0.041 5.486 3.960 2.476 0.000 0.267 418 G HA3 0.041 5.486 3.960 2.476 0.000 0.267 418 G C 1.060 175.984 174.900 0.040 0.000 1.090 418 G CA -0.298 44.819 45.100 0.027 0.000 0.795 418 G HN 0.035 nan 8.290 nan 0.000 0.535 419 L N 1.779 123.043 121.223 0.068 0.000 2.131 419 L HA -0.048 5.777 4.340 2.476 0.000 0.210 419 L C 2.573 179.508 176.870 0.107 0.000 1.092 419 L CA 1.886 56.812 54.840 0.144 0.000 0.759 419 L CB -0.578 41.576 42.059 0.158 0.000 0.903 419 L HN 0.589 nan 8.230 nan 0.000 0.435 420 N N -1.541 117.155 118.700 -0.007 0.000 2.430 420 N HA -0.296 5.930 4.740 2.476 0.000 0.186 420 N C 1.755 177.231 175.510 -0.057 0.000 1.032 420 N CA 1.036 54.068 53.050 -0.031 0.000 0.893 420 N CB -0.466 37.964 38.487 -0.096 0.000 0.957 420 N HN 0.555 nan 8.380 nan 0.000 0.442 421 Q N -0.813 118.904 119.800 -0.139 0.000 2.226 421 Q HA -0.154 5.671 4.340 2.476 0.000 0.204 421 Q C 0.484 176.216 176.000 -0.447 0.000 0.975 421 Q CA 1.272 56.856 55.803 -0.366 0.000 0.866 421 Q CB 0.061 28.433 28.738 -0.610 0.000 0.915 421 Q HN 0.657 nan 8.270 nan 0.000 0.440 422 Y N -1.917 118.430 120.300 0.077 0.000 2.471 422 Y HA 0.312 6.346 4.550 2.474 0.000 0.249 422 Y C -0.374 175.603 175.900 0.128 0.000 1.116 422 Y CA -0.406 57.744 58.100 0.084 0.000 1.240 422 Y CB 1.440 39.944 38.460 0.073 0.000 1.251 422 Y HN -0.208 nan 8.280 nan 0.000 0.527 423 V N 1.892 121.970 119.914 0.274 0.000 2.531 423 V HA 0.236 5.842 4.120 2.476 0.000 0.301 423 V C -0.224 176.006 176.094 0.226 0.000 1.034 423 V CA -0.659 61.827 62.300 0.310 0.000 0.865 423 V CB 1.843 33.902 31.823 0.394 0.000 0.995 423 V HN 0.267 nan 8.190 nan 0.000 0.424 424 D N 2.257 122.812 120.400 0.259 0.000 2.433 424 D HA 0.132 6.257 4.640 2.476 0.000 0.211 424 D C -0.210 176.269 176.300 0.297 0.000 1.114 424 D CA 0.025 54.156 54.000 0.218 0.000 0.837 424 D CB 0.583 41.498 40.800 0.191 0.000 0.984 424 D HN 0.346 nan 8.370 nan 0.000 0.505 425 F N 0.626 120.694 119.950 0.196 0.000 2.689 425 F HA 0.469 6.477 4.527 2.469 0.000 0.332 425 F C -2.189 173.776 175.800 0.274 0.000 1.209 425 F CA -1.336 56.785 58.000 0.202 0.000 1.028 425 F CB 1.639 40.745 39.000 0.177 0.000 1.291 425 F HN -0.208 nan 8.300 nan 0.000 0.500 426 F N 5.620 125.727 119.950 0.262 0.000 2.562 426 F HA 0.646 6.659 4.527 2.477 0.000 0.319 426 F C -0.996 174.898 175.800 0.157 0.000 1.154 426 F CA -0.190 57.945 58.000 0.224 0.000 0.931 426 F CB 1.662 40.737 39.000 0.125 0.000 1.198 426 F HN 0.470 nan 8.300 nan 0.000 0.444 427 T N 3.413 117.693 114.554 -0.456 0.000 2.909 427 T HA 0.726 6.561 4.350 2.476 0.000 0.299 427 T C -0.957 173.406 174.700 -0.561 0.000 1.073 427 T CA -0.761 61.116 62.100 -0.371 0.000 0.999 427 T CB 1.302 70.075 68.868 -0.159 0.000 1.098 427 T HN 0.811 nan 8.240 nan 0.000 0.477 428 V N 0.164 119.885 119.914 -0.322 0.000 2.581 428 V HA 0.741 6.346 4.120 2.476 0.000 0.303 428 V C -0.346 175.598 176.094 -0.249 0.000 1.041 428 V CA -1.020 61.183 62.300 -0.162 0.000 0.907 428 V CB 1.524 33.430 31.823 0.139 0.000 0.994 428 V HN 0.939 nan 8.190 nan 0.000 0.442 429 N N 5.712 124.249 118.700 -0.271 0.000 2.420 429 N HA 0.541 6.767 4.740 2.476 0.000 0.249 429 N C -2.290 173.233 175.510 0.023 0.000 1.033 429 N CA -1.855 51.062 53.050 -0.223 0.000 0.944 429 N CB 1.364 39.761 38.487 -0.150 0.000 1.113 429 N HN 0.658 nan 8.380 nan 0.000 0.502 430 P HA 0.249 nan 4.420 nan 0.000 0.306 430 P C -0.254 177.058 177.300 0.019 0.000 1.309 430 P CA -0.451 62.756 63.100 0.179 0.000 0.759 430 P CB 1.145 33.108 31.700 0.438 0.000 1.314 431 M N -0.019 119.569 119.600 -0.020 0.000 2.291 431 M HA 0.128 6.093 4.480 2.476 0.000 0.324 431 M C 1.806 177.767 176.300 -0.564 0.000 1.148 431 M CA -0.106 55.013 55.300 -0.301 0.000 1.104 431 M CB 0.457 33.005 32.600 -0.086 0.000 1.483 431 M HN 0.444 nan 8.290 nan 0.000 0.467 432 E N 0.118 119.677 120.200 -1.068 0.000 2.396 432 E HA -0.159 5.676 4.350 2.476 0.000 0.200 432 E C -0.290 176.254 176.600 -0.094 0.000 1.023 432 E CA 1.045 56.999 56.400 -0.744 0.000 0.857 432 E CB -0.192 29.149 29.700 -0.599 0.000 0.775 432 E HN 0.496 nan 8.360 nan 0.000 0.525 433 H N 0.529 119.636 119.070 0.061 0.000 2.872 433 H HA 0.347 6.388 4.556 2.474 0.000 0.273 433 H C 0.669 176.014 175.328 0.027 0.000 1.205 433 H CA 0.148 56.224 56.048 0.047 0.000 1.342 433 H CB 1.286 31.058 29.762 0.016 0.000 1.469 433 H HN 0.240 nan 8.280 nan 0.000 0.487 434 A N 3.018 125.798 122.820 -0.068 0.000 1.898 434 A HA -0.171 5.635 4.320 2.476 0.000 0.216 434 A C 2.308 179.714 177.584 -0.296 0.000 1.181 434 A CA 1.393 53.143 52.037 -0.479 0.000 0.620 434 A CB 0.017 18.313 19.000 -1.173 0.000 0.819 434 A HN 0.544 nan 8.150 nan 0.000 0.442 435 E N -0.290 119.791 120.200 -0.198 0.000 2.047 435 E HA -0.117 5.718 4.350 2.476 0.000 0.191 435 E C 1.589 178.143 176.600 -0.076 0.000 0.987 435 E CA 1.060 57.352 56.400 -0.180 0.000 0.799 435 E CB -0.299 29.322 29.700 -0.132 0.000 0.752 435 E HN 0.348 nan 8.360 nan 0.000 0.449 436 L N 0.404 121.644 121.223 0.029 0.000 2.395 436 L HA 0.047 5.872 4.340 2.476 0.000 0.218 436 L C 2.040 178.986 176.870 0.127 0.000 1.130 436 L CA 1.061 55.965 54.840 0.107 0.000 0.826 436 L CB -0.393 41.737 42.059 0.118 0.000 0.941 436 L HN 0.023 nan 8.230 nan 0.000 0.451 437 S N -0.860 114.912 115.700 0.119 0.000 2.474 437 S HA -0.133 5.823 4.470 2.476 0.000 0.235 437 S C 1.850 176.574 174.600 0.206 0.000 0.997 437 S CA 0.714 59.024 58.200 0.184 0.000 0.949 437 S CB -0.149 63.215 63.200 0.273 0.000 0.766 437 S HN 0.437 nan 8.310 nan 0.000 0.517 438 K N 0.870 121.318 120.400 0.080 0.000 2.283 438 K HA 0.066 5.872 4.320 2.476 0.000 0.202 438 K C 1.694 178.474 176.600 0.301 0.000 1.048 438 K CA 0.742 57.054 56.287 0.042 0.000 0.948 438 K CB -0.215 32.015 32.500 -0.450 0.000 0.742 438 K HN 0.362 nan 8.250 nan 0.000 0.458 439 I N 0.148 120.874 120.570 0.260 0.000 2.113 439 I HA -0.311 5.345 4.170 2.476 0.000 0.238 439 I C 2.560 178.914 176.117 0.395 0.000 1.070 439 I CA 1.147 62.615 61.300 0.280 0.000 1.332 439 I CB -0.343 37.790 38.000 0.223 0.000 1.044 439 I HN 0.101 nan 8.210 nan 0.000 0.402 440 S N 0.721 116.668 115.700 0.412 0.000 2.368 440 S HA -0.139 5.816 4.470 2.476 0.000 0.225 440 S C 2.059 176.949 174.600 0.484 0.000 1.030 440 S CA 1.310 59.800 58.200 0.484 0.000 0.999 440 S CB -0.362 63.125 63.200 0.479 0.000 0.844 440 S HN 0.274 nan 8.310 nan 0.000 0.459 441 I N 1.064 121.918 120.570 0.474 0.000 2.264 441 I HA -0.217 5.438 4.170 2.476 0.000 0.248 441 I C 2.548 178.954 176.117 0.482 0.000 1.111 441 I CA 1.612 63.206 61.300 0.491 0.000 1.382 441 I CB -0.539 37.825 38.000 0.607 0.000 1.060 441 I HN 0.474 nan 8.210 nan 0.000 0.418 442 H N 1.192 120.533 119.070 0.452 0.000 2.319 442 H HA -0.205 5.833 4.556 2.471 0.000 0.299 442 H C 2.401 177.904 175.328 0.291 0.000 1.092 442 H CA 2.447 58.705 56.048 0.350 0.000 1.302 442 H CB -0.078 29.910 29.762 0.375 0.000 1.373 442 H HN 0.442 nan 8.280 nan 0.000 0.497 443 T N -1.512 113.365 114.554 0.538 0.000 2.821 443 T HA 0.007 5.842 4.350 2.476 0.000 0.267 443 T C 2.273 177.203 174.700 0.382 0.000 1.046 443 T CA 1.394 63.813 62.100 0.532 0.000 1.139 443 T CB -0.660 68.580 68.868 0.620 0.000 0.871 443 T HN 0.374 nan 8.240 nan 0.000 0.454 444 A N 1.998 125.022 122.820 0.340 0.000 1.908 444 A HA 0.258 6.063 4.320 2.476 0.000 0.218 444 A C 2.873 180.588 177.584 0.217 0.000 1.181 444 A CA 2.066 54.291 52.037 0.313 0.000 0.627 444 A CB -1.489 17.767 19.000 0.427 0.000 0.818 444 A HN 0.822 nan 8.150 nan 0.000 0.445 445 A N -0.144 122.766 122.820 0.150 0.000 1.908 445 A HA -0.241 5.565 4.320 2.476 0.000 0.218 445 A C 1.872 179.482 177.584 0.042 0.000 1.181 445 A CA 2.318 54.375 52.037 0.033 0.000 0.627 445 A CB -0.729 18.195 19.000 -0.126 0.000 0.818 445 A HN 0.570 nan 8.150 nan 0.000 0.445 446 D N -2.330 118.127 120.400 0.094 0.000 2.103 446 D HA -0.173 5.952 4.640 2.476 0.000 0.199 446 D C 1.773 178.182 176.300 0.182 0.000 0.978 446 D CA 1.359 55.464 54.000 0.174 0.000 0.829 446 D CB -0.279 40.705 40.800 0.307 0.000 0.981 446 D HN 0.471 nan 8.370 nan 0.000 0.464 447 Y N 1.023 121.256 120.300 -0.112 0.000 2.128 447 Y HA -0.223 5.808 4.550 2.469 0.000 0.284 447 Y C 2.383 178.089 175.900 -0.324 0.000 1.154 447 Y CA 2.316 60.109 58.100 -0.511 0.000 1.149 447 Y CB -0.658 37.175 38.460 -1.044 0.000 0.976 447 Y HN 0.103 nan 8.280 nan 0.000 0.505 448 S N -1.013 114.472 115.700 -0.359 0.000 2.496 448 S HA -0.131 5.825 4.470 2.476 0.000 0.224 448 S C 1.880 176.386 174.600 -0.157 0.000 0.996 448 S CA 0.456 58.427 58.200 -0.381 0.000 0.927 448 S CB -0.905 62.222 63.200 -0.121 0.000 0.774 448 S HN 0.732 nan 8.310 nan 0.000 0.524 449 W N 2.183 123.349 121.300 -0.224 0.000 2.574 449 W HA 0.378 6.521 4.660 2.472 0.000 0.282 449 W C 0.022 176.436 176.519 -0.175 0.000 1.197 449 W CA 0.164 57.404 57.345 -0.174 0.000 1.376 449 W CB -0.002 29.366 29.460 -0.155 0.000 1.091 449 W HN 0.283 nan 8.180 nan 0.000 0.569 450 N N 1.578 120.350 118.700 0.120 0.000 2.841 450 N HA 0.079 6.304 4.740 2.476 0.000 0.257 450 N C 0.732 176.229 175.510 -0.022 0.000 1.396 450 N CA -0.042 53.030 53.050 0.037 0.000 0.823 450 N CB 0.009 38.587 38.487 0.151 0.000 1.162 450 N HN 0.064 nan 8.380 nan 0.000 0.503 451 M N 0.425 119.922 119.600 -0.171 0.000 2.132 451 M HA -0.116 5.850 4.480 2.476 0.000 0.263 451 M C 1.178 177.449 176.300 -0.049 0.000 1.065 451 M CA 1.682 56.813 55.300 -0.280 0.000 1.122 451 M CB 0.133 32.453 32.600 -0.467 0.000 1.365 451 M HN 0.211 nan 8.290 nan 0.000 0.411 452 D N 0.235 120.615 120.400 -0.035 0.000 2.178 452 D HA -0.129 5.997 4.640 2.476 0.000 0.202 452 D C 1.160 177.491 176.300 0.053 0.000 0.974 452 D CA 1.162 55.168 54.000 0.009 0.000 0.841 452 D CB -0.093 40.699 40.800 -0.014 0.000 0.953 452 D HN 0.419 nan 8.370 nan 0.000 0.478 453 N N -0.734 118.005 118.700 0.064 0.000 2.236 453 N HA -0.071 6.154 4.740 2.476 0.000 0.196 453 N C -0.362 175.215 175.510 0.111 0.000 1.114 453 N CA -0.225 52.866 53.050 0.068 0.000 0.859 453 N CB 0.351 38.860 38.487 0.037 0.000 0.982 453 N HN 0.252 nan 8.380 nan 0.000 0.493 454 Y N 2.718 123.054 120.300 0.060 0.000 2.721 454 Y HA -0.059 5.978 4.550 2.477 0.000 0.329 454 Y C -0.012 175.956 175.900 0.114 0.000 1.211 454 Y CA 0.292 58.463 58.100 0.119 0.000 1.512 454 Y CB 0.299 38.893 38.460 0.223 0.000 1.249 454 Y HN -0.069 nan 8.280 nan 0.000 0.549 455 D N 6.110 126.167 120.400 -0.571 0.000 2.469 455 D HA 0.002 6.127 4.640 2.476 0.000 0.251 455 D C 0.295 176.173 176.300 -0.703 0.000 1.173 455 D CA -0.545 53.170 54.000 -0.475 0.000 0.882 455 D CB 0.366 41.014 40.800 -0.254 0.000 1.129 455 D HN 0.674 nan 8.370 nan 0.000 0.549 456 Y N 2.832 122.781 120.300 -0.584 0.000 2.165 456 Y HA -0.135 5.900 4.550 2.474 0.000 0.286 456 Y C 1.547 177.417 175.900 -0.051 0.000 1.155 456 Y CA 1.727 59.630 58.100 -0.329 0.000 1.164 456 Y CB -0.510 37.989 38.460 0.064 0.000 0.978 456 Y HN 0.304 nan 8.280 nan 0.000 0.513 457 D N 0.152 120.227 120.400 -0.541 0.000 2.117 457 D HA -0.142 5.984 4.640 2.476 0.000 0.198 457 D C 2.097 178.410 176.300 0.021 0.000 0.982 457 D CA 1.147 55.026 54.000 -0.200 0.000 0.828 457 D CB -0.085 40.487 40.800 -0.381 0.000 0.967 457 D HN 0.102 nan 8.370 nan 0.000 0.464 458 K N 0.162 120.503 120.400 -0.098 0.000 2.057 458 K HA 0.024 5.830 4.320 2.476 0.000 0.206 458 K C 1.986 178.610 176.600 0.040 0.000 1.050 458 K CA 1.000 57.270 56.287 -0.029 0.000 0.935 458 K CB -0.481 31.973 32.500 -0.077 0.000 0.715 458 K HN 0.182 nan 8.250 nan 0.000 0.439 459 A N -0.180 122.656 122.820 0.026 0.000 1.902 459 A HA -0.186 5.620 4.320 2.476 0.000 0.217 459 A C 2.083 179.834 177.584 0.278 0.000 1.181 459 A CA 1.404 53.537 52.037 0.161 0.000 0.623 459 A CB -0.894 18.210 19.000 0.173 0.000 0.818 459 A HN 0.551 nan 8.150 nan 0.000 0.443 460 W N 1.406 122.777 121.300 0.117 0.000 2.355 460 W HA -0.164 5.978 4.660 2.471 0.000 0.309 460 W C 2.058 178.616 176.519 0.065 0.000 1.206 460 W CA 1.861 59.286 57.345 0.132 0.000 1.284 460 W CB -0.291 29.259 29.460 0.150 0.000 1.145 460 W HN 0.357 nan 8.180 nan 0.000 0.502 461 N N 0.303 119.069 118.700 0.111 0.000 2.069 461 N HA -0.246 5.979 4.740 2.476 0.000 0.191 461 N C 1.880 177.302 175.510 -0.146 0.000 1.031 461 N CA 1.964 54.946 53.050 -0.112 0.000 0.852 461 N CB -0.638 37.873 38.487 0.039 0.000 1.018 461 N HN 0.250 nan 8.380 nan 0.000 0.423 462 R N 0.898 121.372 120.500 -0.042 0.000 2.120 462 R HA -0.032 5.793 4.340 2.476 0.000 0.234 462 R C 2.147 178.354 176.300 -0.156 0.000 1.123 462 R CA 1.236 57.318 56.100 -0.031 0.000 0.975 462 R CB -0.092 30.252 30.300 0.073 0.000 0.866 462 R HN 0.170 nan 8.270 nan 0.000 0.446 463 A N 0.767 123.430 122.820 -0.263 0.000 1.873 463 A HA -0.114 5.691 4.320 2.476 0.000 0.215 463 A C 2.087 179.444 177.584 -0.379 0.000 1.186 463 A CA 1.311 52.957 52.037 -0.653 0.000 0.616 463 A CB -0.405 18.426 19.000 -0.281 0.000 0.823 463 A HN 0.329 nan 8.150 nan 0.000 0.442 464 I N -0.236 120.142 120.570 -0.321 0.000 2.286 464 I HA -0.190 5.465 4.170 2.476 0.000 0.245 464 I C 1.816 177.895 176.117 -0.063 0.000 1.104 464 I CA 1.169 62.346 61.300 -0.204 0.000 1.397 464 I CB -0.547 37.143 38.000 -0.516 0.000 1.072 464 I HN 0.234 nan 8.210 nan 0.000 0.417 465 D N 1.017 121.343 120.400 -0.124 0.000 2.116 465 D HA -0.220 5.905 4.640 2.476 0.000 0.193 465 D C 2.264 178.546 176.300 -0.029 0.000 0.998 465 D CA 1.698 55.663 54.000 -0.059 0.000 0.836 465 D CB -0.213 40.550 40.800 -0.060 0.000 0.951 465 D HN 0.332 nan 8.370 nan 0.000 0.449 466 M N -0.347 119.218 119.600 -0.058 0.000 2.254 466 M HA -0.029 5.936 4.480 2.476 0.000 0.265 466 M C 2.186 178.472 176.300 -0.023 0.000 1.066 466 M CA 0.729 56.016 55.300 -0.021 0.000 1.123 466 M CB 0.081 32.697 32.600 0.027 0.000 1.388 466 M HN -0.038 nan 8.290 nan 0.000 0.425 467 L N -2.094 119.104 121.223 -0.043 0.000 2.270 467 L HA -0.094 5.731 4.340 2.476 0.000 0.210 467 L C 1.416 178.066 176.870 -0.366 0.000 1.104 467 L CA 0.894 55.645 54.840 -0.148 0.000 0.804 467 L CB -0.056 41.942 42.059 -0.103 0.000 0.937 467 L HN 0.239 nan 8.230 nan 0.000 0.450 468 Y N -1.116 119.135 120.300 -0.081 0.000 2.444 468 Y HA 0.326 6.360 4.550 2.473 0.000 0.252 468 Y C 1.733 177.597 175.900 -0.061 0.000 1.091 468 Y CA 0.275 58.331 58.100 -0.073 0.000 1.276 468 Y CB 0.354 38.764 38.460 -0.084 0.000 1.170 468 Y HN 0.151 nan 8.280 nan 0.000 0.517 469 G N 0.990 109.813 108.800 0.038 0.000 2.591 469 G HA2 -0.420 5.026 3.960 2.476 0.000 0.298 469 G HA3 -0.420 5.026 3.960 2.476 0.000 0.298 469 G C 0.750 175.660 174.900 0.017 0.000 1.195 469 G CA 0.760 45.863 45.100 0.006 0.000 0.989 469 G HN 0.254 nan 8.290 nan 0.000 0.551 470 D N 0.525 120.929 120.400 0.007 0.000 2.218 470 D HA 0.006 6.131 4.640 2.476 0.000 0.204 470 D C 2.424 178.733 176.300 0.015 0.000 0.976 470 D CA 1.008 55.011 54.000 0.004 0.000 0.853 470 D CB -0.101 40.696 40.800 -0.004 0.000 0.939 470 D HN 0.333 nan 8.370 nan 0.000 0.481 471 L N 0.011 121.260 121.223 0.043 0.000 2.592 471 L HA 0.188 6.014 4.340 2.476 0.000 0.227 471 L C 2.140 179.032 176.870 0.037 0.000 1.127 471 L CA -0.132 54.739 54.840 0.052 0.000 0.884 471 L CB 0.005 42.121 42.059 0.094 0.000 1.065 471 L HN -0.062 nan 8.230 nan 0.000 0.457 472 A N 0.289 123.133 122.820 0.041 0.000 1.883 472 A HA -0.200 5.606 4.320 2.476 0.000 0.217 472 A C 2.167 179.708 177.584 -0.072 0.000 1.186 472 A CA 1.470 53.498 52.037 -0.015 0.000 0.624 472 A CB -0.201 18.793 19.000 -0.010 0.000 0.822 472 A HN 0.307 nan 8.150 nan 0.000 0.444 473 E N 0.336 120.513 120.200 -0.038 0.000 2.110 473 E HA -0.169 5.666 4.350 2.476 0.000 0.193 473 E C 1.536 178.126 176.600 -0.016 0.000 0.988 473 E CA 1.418 57.800 56.400 -0.029 0.000 0.804 473 E CB -0.458 29.235 29.700 -0.012 0.000 0.745 473 E HN 0.590 nan 8.360 nan 0.000 0.458 474 D N 0.065 120.456 120.400 -0.016 0.000 2.149 474 D HA -0.106 6.019 4.640 2.476 0.000 0.201 474 D C 1.891 178.190 176.300 -0.001 0.000 0.972 474 D CA 0.687 54.686 54.000 -0.002 0.000 0.835 474 D CB -0.206 40.586 40.800 -0.012 0.000 0.966 474 D HN 0.072 nan 8.370 nan 0.000 0.476 475 M N 0.789 120.342 119.600 -0.078 0.000 2.229 475 M HA -0.088 5.878 4.480 2.476 0.000 0.264 475 M C 1.569 177.823 176.300 -0.076 0.000 1.063 475 M CA 1.469 56.679 55.300 -0.150 0.000 1.114 475 M CB 0.042 32.320 32.600 -0.536 0.000 1.387 475 M HN -0.197 nan 8.290 nan 0.000 0.420 476 K N -1.042 119.291 120.400 -0.112 0.000 2.057 476 K HA -0.108 5.698 4.320 2.476 0.000 0.207 476 K C 1.800 178.524 176.600 0.207 0.000 1.049 476 K CA 1.582 57.843 56.287 -0.043 0.000 0.931 476 K CB -0.487 31.954 32.500 -0.099 0.000 0.714 476 K HN 0.229 nan 8.250 nan 0.000 0.440 477 V N 1.320 121.335 119.914 0.167 0.000 2.252 477 V HA -0.281 5.325 4.120 2.476 0.000 0.249 477 V C 2.025 178.312 176.094 0.321 0.000 1.056 477 V CA 2.002 64.437 62.300 0.224 0.000 1.022 477 V CB -0.541 31.377 31.823 0.159 0.000 0.641 477 V HN 0.248 nan 8.190 nan 0.000 0.445 478 F N 1.515 121.529 119.950 0.106 0.000 2.084 478 F HA -0.079 5.932 4.527 2.472 0.000 0.296 478 F C 2.289 178.191 175.800 0.170 0.000 1.111 478 F CA 1.560 59.617 58.000 0.095 0.000 1.224 478 F CB -0.743 38.262 39.000 0.008 0.000 0.991 478 F HN 0.051 nan 8.300 nan 0.000 0.471 479 A N 0.258 123.106 122.820 0.048 0.000 1.972 479 A HA -0.235 5.570 4.320 2.476 0.000 0.219 479 A C 2.011 179.707 177.584 0.187 0.000 1.169 479 A CA 1.739 53.785 52.037 0.014 0.000 0.635 479 A CB -1.263 17.868 19.000 0.217 0.000 0.810 479 A HN 0.560 nan 8.150 nan 0.000 0.446 480 N N -0.164 118.731 118.700 0.324 0.000 2.192 480 N HA -0.195 6.031 4.740 2.476 0.000 0.188 480 N C 1.339 176.754 175.510 -0.158 0.000 1.013 480 N CA 1.589 54.673 53.050 0.058 0.000 0.863 480 N CB -0.484 38.076 38.487 0.122 0.000 0.990 480 N HN 0.672 nan 8.380 nan 0.000 0.430 481 H N -1.997 117.020 119.070 -0.087 0.000 2.539 481 H HA 0.196 6.237 4.556 2.475 0.000 0.267 481 H C 0.214 175.449 175.328 -0.155 0.000 0.982 481 H CA 0.327 56.309 56.048 -0.111 0.000 1.146 481 H CB 0.360 30.072 29.762 -0.083 0.000 1.382 481 H HN 0.065 nan 8.280 nan 0.000 0.577 482 S N 0.275 115.911 115.700 -0.105 0.000 2.694 482 S HA 0.067 6.023 4.470 2.476 0.000 0.232 482 S C 1.160 175.732 174.600 -0.047 0.000 1.017 482 S CA -0.209 57.919 58.200 -0.121 0.000 1.139 482 S CB -0.098 62.930 63.200 -0.287 0.000 1.247 482 S HN 0.517 nan 8.310 nan 0.000 0.452 483 T N -1.387 113.140 114.554 -0.045 0.000 3.000 483 T HA 0.340 6.176 4.350 2.476 0.000 0.248 483 T C 0.698 175.442 174.700 0.074 0.000 1.034 483 T CA -0.151 61.957 62.100 0.013 0.000 1.060 483 T CB 0.043 68.812 68.868 -0.165 0.000 0.983 483 T HN 0.239 nan 8.240 nan 0.000 0.482 484 R N 1.704 122.201 120.500 -0.004 0.000 2.265 484 R HA 0.500 6.325 4.340 2.476 0.000 0.314 484 R C -0.609 175.720 176.300 0.048 0.000 1.053 484 R CA -0.508 55.591 56.100 -0.002 0.000 0.931 484 R CB 0.169 30.430 30.300 -0.065 0.000 1.024 484 R HN 0.173 nan 8.270 nan 0.000 0.457 485 M N 2.888 122.545 119.600 0.095 0.000 2.268 485 M HA 0.316 6.282 4.480 2.476 0.000 0.344 485 M C -1.119 175.140 176.300 -0.068 0.000 1.106 485 M CA -0.562 54.771 55.300 0.055 0.000 1.010 485 M CB 1.659 34.360 32.600 0.168 0.000 1.649 485 M HN 0.570 nan 8.290 nan 0.000 0.443 486 D N 1.617 121.863 120.400 -0.257 0.000 2.548 486 D HA 0.136 6.261 4.640 2.476 0.000 0.214 486 D C -0.091 175.744 176.300 -0.774 0.000 1.345 486 D CA -0.185 53.587 54.000 -0.379 0.000 0.945 486 D CB 0.893 41.536 40.800 -0.260 0.000 1.499 486 D HN 0.789 nan 8.370 nan 0.000 0.579 487 N N 2.297 120.579 118.700 -0.696 0.000 2.314 487 N HA -0.018 6.207 4.740 2.476 0.000 0.200 487 N C 0.173 175.418 175.510 -0.440 0.000 1.135 487 N CA -0.442 52.152 53.050 -0.761 0.000 0.835 487 N CB 0.282 38.494 38.487 -0.458 0.000 0.989 487 N HN 0.134 nan 8.380 nan 0.000 0.478 488 K N -1.200 118.983 120.400 -0.362 0.000 3.587 488 K HA -0.185 5.621 4.320 2.476 0.000 0.294 488 K C 0.765 177.279 176.600 -0.142 0.000 1.279 488 K CA 1.906 58.073 56.287 -0.200 0.000 1.004 488 K CB -2.280 30.143 32.500 -0.129 0.000 1.276 488 K HN 0.703 nan 8.250 nan 0.000 0.459 489 T N -3.448 110.995 114.554 -0.186 0.000 2.614 489 T HA 0.220 6.056 4.350 2.476 0.000 0.163 489 T C 1.433 176.082 174.700 -0.084 0.000 0.806 489 T CA 0.137 62.193 62.100 -0.074 0.000 1.020 489 T CB -0.350 68.549 68.868 0.053 0.000 2.539 489 T HN 0.259 nan 8.240 nan 0.000 0.380 490 W N 2.729 123.971 121.300 -0.097 0.000 2.770 490 W HA 0.648 6.791 4.660 2.472 0.000 0.256 490 W C 0.137 176.557 176.519 -0.165 0.000 1.291 490 W CA -0.014 57.261 57.345 -0.115 0.000 1.396 490 W CB -0.436 28.957 29.460 -0.111 0.000 1.114 490 W HN 0.553 nan 8.180 nan 0.000 0.637 491 A N 3.092 125.376 122.820 -0.892 0.000 2.291 491 A HA 0.594 6.400 4.320 2.476 0.000 0.311 491 A C -0.310 176.952 177.584 -0.536 0.000 1.224 491 A CA -0.679 50.768 52.037 -0.982 0.000 0.821 491 A CB 0.593 18.346 19.000 -2.078 0.000 1.172 491 A HN 0.219 nan 8.150 nan 0.000 0.494 492 K N 0.618 120.834 120.400 -0.307 0.000 2.561 492 K HA 0.761 6.566 4.320 2.476 0.000 0.254 492 K C -1.391 175.154 176.600 -0.092 0.000 0.942 492 K CA -0.412 55.772 56.287 -0.172 0.000 0.818 492 K CB 1.697 34.110 32.500 -0.146 0.000 1.306 492 K HN 0.605 nan 8.250 nan 0.000 0.435 493 S N 0.529 116.213 115.700 -0.026 0.000 2.597 493 S HA 0.780 6.736 4.470 2.476 0.000 0.274 493 S C -1.381 173.233 174.600 0.023 0.000 1.132 493 S CA 0.452 58.654 58.200 0.004 0.000 0.835 493 S CB 1.433 64.606 63.200 -0.044 0.000 1.092 493 S HN 1.614 nan 8.310 nan 0.000 0.457 494 G N 2.417 111.154 108.800 -0.105 0.000 2.576 494 G HA2 0.077 5.522 3.960 2.476 0.000 0.686 494 G HA3 0.077 5.522 3.960 2.476 0.000 0.686 494 G C -0.883 173.775 174.900 -0.404 0.000 1.242 494 G CA -0.567 44.361 45.100 -0.288 0.000 0.819 494 G HN 0.782 nan 8.290 nan 0.000 0.655 495 R N 0.645 120.690 120.500 -0.758 0.000 2.698 495 R HA 0.132 5.958 4.340 2.476 0.000 0.266 495 R C 0.496 176.510 176.300 -0.477 0.000 1.026 495 R CA -0.077 55.417 56.100 -1.010 0.000 1.102 495 R CB 0.259 30.032 30.300 -0.878 0.000 0.978 495 R HN 0.561 nan 8.270 nan 0.000 0.436 496 E N 2.186 122.159 120.200 -0.378 0.000 2.415 496 E HA -0.036 5.799 4.350 2.476 0.000 0.262 496 E C -0.485 175.980 176.600 -0.225 0.000 1.038 496 E CA 0.185 56.452 56.400 -0.222 0.000 0.921 496 E CB 0.381 29.989 29.700 -0.153 0.000 0.950 496 E HN 0.464 nan 8.360 nan 0.000 0.438 497 D N 0.564 120.861 120.400 -0.172 0.000 2.414 497 D HA 0.126 6.251 4.640 2.476 0.000 0.242 497 D C 0.176 176.326 176.300 -0.249 0.000 1.129 497 D CA 0.278 54.158 54.000 -0.200 0.000 0.885 497 D CB 0.503 41.228 40.800 -0.125 0.000 1.198 497 D HN 0.493 nan 8.370 nan 0.000 0.437 498 A N 3.966 126.569 122.820 -0.363 0.000 2.049 498 A HA -0.154 5.651 4.320 2.476 0.000 0.263 498 A C -1.130 176.320 177.584 -0.224 0.000 1.316 498 A CA 0.006 51.812 52.037 -0.386 0.000 0.759 498 A CB -0.870 17.686 19.000 -0.740 0.000 1.141 498 A HN 0.456 nan 8.150 nan 0.000 0.325 499 P HA -0.146 nan 4.420 nan 0.000 0.217 499 P C 1.020 178.271 177.300 -0.083 0.000 1.150 499 P CA 1.642 64.677 63.100 -0.109 0.000 0.832 499 P CB 0.123 31.767 31.700 -0.094 0.000 0.787 500 E N 0.272 120.419 120.200 -0.090 0.000 2.051 500 E HA -0.147 5.689 4.350 2.476 0.000 0.192 500 E C 2.077 178.626 176.600 -0.085 0.000 0.991 500 E CA 0.707 57.062 56.400 -0.074 0.000 0.799 500 E CB -1.493 28.166 29.700 -0.068 0.000 0.748 500 E HN 0.142 nan 8.360 nan 0.000 0.449 501 L N 0.918 122.080 121.223 -0.102 0.000 2.056 501 L HA -0.049 5.777 4.340 2.476 0.000 0.207 501 L C 2.238 179.058 176.870 -0.085 0.000 1.078 501 L CA 1.596 56.370 54.840 -0.109 0.000 0.749 501 L CB -0.372 41.636 42.059 -0.085 0.000 0.901 501 L HN -0.046 nan 8.230 nan 0.000 0.433 502 R N 0.591 121.056 120.500 -0.058 0.000 2.105 502 R HA -0.089 5.736 4.340 2.476 0.000 0.239 502 R C 2.020 178.318 176.300 -0.003 0.000 1.135 502 R CA 1.857 57.952 56.100 -0.008 0.000 0.967 502 R CB -1.164 29.132 30.300 -0.007 0.000 0.861 502 R HN 0.489 nan 8.270 nan 0.000 0.442 503 A N 0.458 123.261 122.820 -0.028 0.000 1.968 503 A HA -0.063 5.743 4.320 2.476 0.000 0.217 503 A C 1.990 179.549 177.584 -0.042 0.000 1.169 503 A CA 1.368 53.394 52.037 -0.020 0.000 0.638 503 A CB -0.284 18.703 19.000 -0.022 0.000 0.812 503 A HN 0.396 nan 8.150 nan 0.000 0.446 504 K N -0.776 119.574 120.400 -0.083 0.000 2.097 504 K HA -0.015 5.791 4.320 2.476 0.000 0.205 504 K C 2.020 178.520 176.600 -0.166 0.000 1.050 504 K CA 1.463 57.674 56.287 -0.126 0.000 0.938 504 K CB -0.274 32.123 32.500 -0.171 0.000 0.718 504 K HN 0.483 nan 8.250 nan 0.000 0.442 505 M N 1.117 120.622 119.600 -0.159 0.000 2.080 505 M HA -0.203 5.763 4.480 2.476 0.000 0.260 505 M C 1.479 177.655 176.300 -0.206 0.000 1.068 505 M CA 1.526 56.720 55.300 -0.177 0.000 1.109 505 M CB -0.353 32.270 32.600 0.039 0.000 1.342 505 M HN 0.051 nan 8.290 nan 0.000 0.405 506 D N 0.181 120.593 120.400 0.020 0.000 2.133 506 D HA -0.203 5.923 4.640 2.476 0.000 0.195 506 D C 1.860 178.207 176.300 0.078 0.000 0.997 506 D CA 1.484 55.567 54.000 0.138 0.000 0.840 506 D CB -0.402 40.474 40.800 0.128 0.000 0.947 506 D HN 0.336 nan 8.370 nan 0.000 0.452 507 E N 0.352 120.548 120.200 -0.006 0.000 2.150 507 E HA -0.116 5.719 4.350 2.476 0.000 0.193 507 E C 1.937 178.518 176.600 -0.032 0.000 0.985 507 E CA 0.252 56.650 56.400 -0.003 0.000 0.814 507 E CB -0.374 29.310 29.700 -0.026 0.000 0.752 507 E HN 0.154 nan 8.360 nan 0.000 0.466 508 L N -0.245 120.879 121.223 -0.165 0.000 1.990 508 L HA -0.135 5.690 4.340 2.476 0.000 0.213 508 L C 1.984 178.815 176.870 -0.065 0.000 1.072 508 L CA 2.141 56.831 54.840 -0.249 0.000 0.755 508 L CB -0.935 40.800 42.059 -0.540 0.000 0.889 508 L HN 0.349 nan 8.230 nan 0.000 0.432 509 W N -0.444 120.961 121.300 0.174 0.000 2.358 509 W HA -0.207 5.938 4.660 2.475 0.000 0.303 509 W C 2.447 179.101 176.519 0.224 0.000 1.208 509 W CA 0.376 57.880 57.345 0.265 0.000 1.274 509 W CB -0.650 28.972 29.460 0.270 0.000 1.138 509 W HN 0.244 nan 8.180 nan 0.000 0.515 510 N N 1.036 119.938 118.700 0.336 0.000 2.043 510 N HA -0.170 6.055 4.740 2.476 0.000 0.193 510 N C 1.432 177.048 175.510 0.177 0.000 1.037 510 N CA 1.682 54.859 53.050 0.213 0.000 0.851 510 N CB -0.696 37.871 38.487 0.133 0.000 1.027 510 N HN 0.235 nan 8.380 nan 0.000 0.422 511 K N 0.538 121.018 120.400 0.134 0.000 2.026 511 K HA -0.025 5.780 4.320 2.476 0.000 0.208 511 K C 2.175 178.852 176.600 0.128 0.000 1.048 511 K CA 0.790 57.135 56.287 0.097 0.000 0.929 511 K CB -0.224 32.302 32.500 0.044 0.000 0.713 511 K HN 0.146 nan 8.250 nan 0.000 0.439 512 L N 1.010 122.339 121.223 0.177 0.000 2.027 512 L HA -0.170 5.655 4.340 2.476 0.000 0.206 512 L C 2.666 179.721 176.870 0.309 0.000 1.074 512 L CA 1.465 56.403 54.840 0.163 0.000 0.745 512 L CB -0.673 41.388 42.059 0.003 0.000 0.898 512 L HN 0.273 nan 8.230 nan 0.000 0.433 513 S N -1.617 114.368 115.700 0.474 0.000 2.419 513 S HA -0.115 5.840 4.470 2.476 0.000 0.233 513 S C 1.812 176.522 174.600 0.183 0.000 1.016 513 S CA 1.229 59.642 58.200 0.355 0.000 0.974 513 S CB -0.294 63.047 63.200 0.235 0.000 0.786 513 S HN 0.297 nan 8.310 nan 0.000 0.492 514 S N 0.833 116.625 115.700 0.154 0.000 2.593 514 S HA 0.290 6.245 4.470 2.476 0.000 0.217 514 S C 0.281 174.930 174.600 0.083 0.000 0.966 514 S CA 0.019 58.277 58.200 0.098 0.000 0.914 514 S CB -0.254 62.995 63.200 0.082 0.000 0.776 514 S HN 0.499 nan 8.310 nan 0.000 0.523 515 K N 1.364 121.822 120.400 0.097 0.000 3.117 515 K HA -0.155 5.650 4.320 2.476 0.000 0.269 515 K C -0.624 176.007 176.600 0.051 0.000 1.098 515 K CA 0.565 56.894 56.287 0.070 0.000 0.785 515 K CB -1.648 30.887 32.500 0.058 0.000 1.242 515 K HN 0.540 nan 8.250 nan 0.000 0.491 516 E N 0.255 120.487 120.200 0.052 0.000 2.222 516 E HA 0.152 5.987 4.350 2.476 0.000 0.272 516 E C -0.411 176.206 176.600 0.028 0.000 0.982 516 E CA -0.965 55.457 56.400 0.037 0.000 0.842 516 E CB 0.929 30.652 29.700 0.038 0.000 1.144 516 E HN 0.165 nan 8.360 nan 0.000 0.397 517 D N 1.162 121.574 120.400 0.019 0.000 2.417 517 D HA 0.040 6.166 4.640 2.476 0.000 0.250 517 D C -0.516 175.789 176.300 0.008 0.000 1.166 517 D CA 0.226 54.234 54.000 0.013 0.000 0.881 517 D CB 1.045 41.851 40.800 0.011 0.000 1.164 517 D HN 0.501 nan 8.370 nan 0.000 0.467 518 A N 3.143 125.965 122.820 0.003 0.000 2.564 518 A HA 0.127 5.933 4.320 2.476 0.000 0.279 518 A C 1.888 179.467 177.584 -0.008 0.000 1.232 518 A CA -0.276 51.755 52.037 -0.011 0.000 0.950 518 A CB 0.290 19.275 19.000 -0.024 0.000 1.138 518 A HN 0.502 nan 8.150 nan 0.000 0.526 519 S N 0.559 116.263 115.700 0.006 0.000 2.374 519 S HA -0.190 5.765 4.470 2.476 0.000 0.227 519 S C 2.302 176.913 174.600 0.018 0.000 1.037 519 S CA 1.672 59.885 58.200 0.021 0.000 1.024 519 S CB -0.204 63.010 63.200 0.022 0.000 0.861 519 S HN 0.843 nan 8.310 nan 0.000 0.456 520 A N 1.000 123.821 122.820 0.002 0.000 1.898 520 A HA 0.026 5.832 4.320 2.476 0.000 0.216 520 A C 2.102 179.672 177.584 -0.024 0.000 1.181 520 A CA 1.183 53.216 52.037 -0.006 0.000 0.620 520 A CB -0.626 18.367 19.000 -0.011 0.000 0.819 520 A HN 0.409 nan 8.150 nan 0.000 0.442 521 L N 0.020 121.218 121.223 -0.040 0.000 2.056 521 L HA -0.051 5.775 4.340 2.476 0.000 0.207 521 L C 2.173 178.982 176.870 -0.100 0.000 1.078 521 L CA 1.564 56.356 54.840 -0.079 0.000 0.749 521 L CB -0.508 41.497 42.059 -0.089 0.000 0.901 521 L HN 0.423 nan 8.230 nan 0.000 0.433 522 I N -0.404 120.127 120.570 -0.065 0.000 2.208 522 I HA -0.293 5.362 4.170 2.476 0.000 0.245 522 I C 2.480 178.607 176.117 0.016 0.000 1.097 522 I CA 1.524 62.783 61.300 -0.067 0.000 1.363 522 I CB -0.259 37.742 38.000 0.002 0.000 1.051 522 I HN 0.341 nan 8.210 nan 0.000 0.413 523 E N 1.195 121.452 120.200 0.095 0.000 2.110 523 E HA -0.284 5.552 4.350 2.476 0.000 0.193 523 E C 2.003 178.646 176.600 0.072 0.000 0.988 523 E CA 1.586 58.083 56.400 0.162 0.000 0.804 523 E CB -0.114 29.634 29.700 0.080 0.000 0.745 523 E HN 0.433 nan 8.360 nan 0.000 0.458 524 E N -0.299 119.882 120.200 -0.032 0.000 2.051 524 E HA -0.175 5.661 4.350 2.476 0.000 0.192 524 E C 2.086 178.558 176.600 -0.214 0.000 0.991 524 E CA 1.249 57.589 56.400 -0.101 0.000 0.799 524 E CB -0.134 29.498 29.700 -0.115 0.000 0.748 524 E HN 0.337 nan 8.360 nan 0.000 0.449 525 L N -0.210 120.818 121.223 -0.324 0.000 2.093 525 L HA -0.175 5.651 4.340 2.476 0.000 0.208 525 L C 2.262 178.690 176.870 -0.736 0.000 1.085 525 L CA 1.003 55.425 54.840 -0.697 0.000 0.755 525 L CB -0.457 41.205 42.059 -0.662 0.000 0.904 525 L HN 0.257 nan 8.230 nan 0.000 0.435 526 Y N 0.138 120.300 120.300 -0.230 0.000 2.165 526 Y HA -0.255 5.781 4.550 2.476 0.000 0.286 526 Y C 2.600 178.435 175.900 -0.107 0.000 1.155 526 Y CA 1.191 59.263 58.100 -0.048 0.000 1.164 526 Y CB -0.667 37.801 38.460 0.013 0.000 0.978 526 Y HN 0.187 nan 8.280 nan 0.000 0.513 527 G N -0.289 108.514 108.800 0.005 0.000 2.418 527 G HA2 -0.223 5.222 3.960 2.476 0.000 0.217 527 G HA3 -0.223 5.222 3.960 2.476 0.000 0.217 527 G C 1.493 176.335 174.900 -0.097 0.000 1.158 527 G CA 1.069 46.148 45.100 -0.034 0.000 0.771 527 G HN 0.283 nan 8.290 nan 0.000 0.545 528 E N 0.502 120.545 120.200 -0.261 0.000 2.072 528 E HA -0.069 5.766 4.350 2.476 0.000 0.191 528 E C 2.287 178.787 176.600 -0.167 0.000 0.985 528 E CA 0.694 56.922 56.400 -0.288 0.000 0.801 528 E CB -0.399 28.994 29.700 -0.512 0.000 0.750 528 E HN 0.480 nan 8.360 nan 0.000 0.452 529 F N 1.108 121.040 119.950 -0.029 0.000 2.186 529 F HA -0.011 6.001 4.527 2.475 0.000 0.299 529 F C 2.474 178.281 175.800 0.013 0.000 1.090 529 F CA 0.655 58.642 58.000 -0.021 0.000 1.307 529 F CB -1.220 37.764 39.000 -0.027 0.000 1.019 529 F HN -0.025 nan 8.300 nan 0.000 0.489 530 A N 0.011 122.941 122.820 0.183 0.000 1.930 530 A HA -0.173 5.633 4.320 2.476 0.000 0.217 530 A C 2.271 179.899 177.584 0.074 0.000 1.175 530 A CA 1.625 53.734 52.037 0.120 0.000 0.627 530 A CB -0.598 18.459 19.000 0.093 0.000 0.815 530 A HN 0.230 nan 8.150 nan 0.000 0.443 531 R N -0.337 120.196 120.500 0.054 0.000 2.092 531 R HA 0.050 5.876 4.340 2.476 0.000 0.231 531 R C 1.907 178.241 176.300 0.056 0.000 1.119 531 R CA 1.952 58.077 56.100 0.041 0.000 0.970 531 R CB -0.698 29.615 30.300 0.023 0.000 0.864 531 R HN 0.531 nan 8.270 nan 0.000 0.440 532 M N 0.005 119.649 119.600 0.075 0.000 2.086 532 M HA -0.140 5.825 4.480 2.476 0.000 0.261 532 M C 2.242 178.570 176.300 0.046 0.000 1.067 532 M CA 2.256 57.592 55.300 0.061 0.000 1.116 532 M CB -0.326 32.292 32.600 0.030 0.000 1.348 532 M HN 0.274 nan 8.290 nan 0.000 0.407 533 E N 0.245 120.476 120.200 0.052 0.000 2.072 533 E HA -0.239 5.597 4.350 2.476 0.000 0.191 533 E C 2.031 178.642 176.600 0.019 0.000 0.985 533 E CA 1.122 57.542 56.400 0.033 0.000 0.801 533 E CB -0.046 29.680 29.700 0.043 0.000 0.750 533 E HN 0.408 nan 8.360 nan 0.000 0.452 534 E N 0.535 120.750 120.200 0.025 0.000 2.077 534 E HA -0.220 5.616 4.350 2.476 0.000 0.193 534 E C 1.933 178.534 176.600 0.002 0.000 0.989 534 E CA 1.156 57.562 56.400 0.011 0.000 0.800 534 E CB -0.163 29.546 29.700 0.014 0.000 0.746 534 E HN 0.310 nan 8.360 nan 0.000 0.452 535 A N 0.915 123.743 122.820 0.014 0.000 1.883 535 A HA -0.228 5.577 4.320 2.476 0.000 0.217 535 A C 2.668 180.237 177.584 -0.025 0.000 1.186 535 A CA 1.753 53.796 52.037 0.009 0.000 0.624 535 A CB -1.134 17.894 19.000 0.046 0.000 0.822 535 A HN 0.523 nan 8.150 nan 0.000 0.444 536 C N -0.465 118.820 119.300 -0.026 0.000 2.425 536 C HA -0.073 5.873 4.460 2.476 0.000 0.277 536 C C 2.679 177.608 174.990 -0.102 0.000 1.280 536 C CA 1.017 59.977 59.018 -0.097 0.000 1.744 536 C CB -1.520 26.186 27.740 -0.057 0.000 1.989 536 C HN 0.630 nan 8.230 nan 0.000 0.491 537 N N 1.370 120.036 118.700 -0.056 0.000 2.120 537 N HA -0.119 6.107 4.740 2.476 0.000 0.188 537 N C 1.524 177.002 175.510 -0.053 0.000 1.024 537 N CA 1.310 54.330 53.050 -0.050 0.000 0.852 537 N CB -0.763 37.707 38.487 -0.028 0.000 1.003 537 N HN 0.535 nan 8.380 nan 0.000 0.424 538 N N 0.987 119.660 118.700 -0.045 0.000 2.149 538 N HA -0.042 6.183 4.740 2.476 0.000 0.188 538 N C 1.752 177.227 175.510 -0.059 0.000 1.019 538 N CA 0.750 53.775 53.050 -0.042 0.000 0.857 538 N CB -0.224 38.245 38.487 -0.028 0.000 0.997 538 N HN 0.204 nan 8.380 nan 0.000 0.426 539 L N 0.158 121.326 121.223 -0.091 0.000 2.056 539 L HA -0.120 5.705 4.340 2.476 0.000 0.207 539 L C 2.190 178.986 176.870 -0.123 0.000 1.078 539 L CA 1.127 55.891 54.840 -0.126 0.000 0.749 539 L CB -0.308 41.613 42.059 -0.230 0.000 0.901 539 L HN 0.183 nan 8.230 nan 0.000 0.433 540 K N 0.071 120.396 120.400 -0.126 0.000 2.097 540 K HA -0.128 5.677 4.320 2.476 0.000 0.206 540 K C 2.099 178.658 176.600 -0.068 0.000 1.049 540 K CA 1.400 57.627 56.287 -0.101 0.000 0.933 540 K CB -0.223 32.223 32.500 -0.090 0.000 0.717 540 K HN 0.286 nan 8.250 nan 0.000 0.442 541 A N 1.019 123.804 122.820 -0.057 0.000 2.072 541 A HA -0.009 5.796 4.320 2.476 0.000 0.216 541 A C 1.466 179.028 177.584 -0.037 0.000 1.156 541 A CA 0.936 52.948 52.037 -0.042 0.000 0.701 541 A CB 0.089 19.068 19.000 -0.034 0.000 0.816 541 A HN 0.194 nan 8.150 nan 0.000 0.458 542 N N -1.192 117.485 118.700 -0.039 0.000 2.168 542 N HA 0.208 6.434 4.740 2.476 0.000 0.216 542 N C -0.161 175.335 175.510 -0.024 0.000 1.259 542 N CA -0.128 52.904 53.050 -0.029 0.000 0.902 542 N CB 0.390 38.864 38.487 -0.023 0.000 1.079 542 N HN 0.299 nan 8.380 nan 0.000 0.507 543 L N 4.024 125.230 121.223 -0.028 0.000 2.499 543 L HA 0.112 5.938 4.340 2.476 0.000 0.273 543 L C -1.703 175.153 176.870 -0.024 0.000 1.195 543 L CA -0.970 53.864 54.840 -0.010 0.000 0.882 543 L CB 0.181 42.228 42.059 -0.019 0.000 1.133 543 L HN -0.103 nan 8.230 nan 0.000 0.483 544 P HA -0.053 nan 4.420 nan 0.000 0.267 544 P C 0.252 177.526 177.300 -0.043 0.000 1.200 544 P CA -0.093 62.980 63.100 -0.045 0.000 0.772 544 P CB 0.724 32.384 31.700 -0.067 0.000 0.855 545 E N 1.189 121.363 120.200 -0.042 0.000 2.118 545 E HA -0.163 5.672 4.350 2.476 0.000 0.195 545 E C 1.692 178.267 176.600 -0.041 0.000 0.992 545 E CA 0.855 57.231 56.400 -0.039 0.000 0.804 545 E CB -0.096 29.584 29.700 -0.034 0.000 0.741 545 E HN 0.186 nan 8.360 nan 0.000 0.458 546 V N 0.246 120.129 119.914 -0.051 0.000 2.469 546 V HA -0.260 5.346 4.120 2.476 0.000 0.251 546 V C 1.966 178.029 176.094 -0.052 0.000 1.064 546 V CA 2.134 64.398 62.300 -0.060 0.000 1.066 546 V CB -0.224 31.548 31.823 -0.086 0.000 0.667 546 V HN 0.444 nan 8.190 nan 0.000 0.461 547 A N -0.712 122.084 122.820 -0.041 0.000 1.878 547 A HA -0.010 5.795 4.320 2.476 0.000 0.213 547 A C 2.032 179.609 177.584 -0.012 0.000 1.192 547 A CA 1.418 53.455 52.037 -0.001 0.000 0.619 547 A CB -0.687 18.348 19.000 0.060 0.000 0.837 547 A HN 0.488 nan 8.150 nan 0.000 0.446 548 L N 0.597 121.802 121.223 -0.030 0.000 2.042 548 L HA -0.185 5.641 4.340 2.476 0.000 0.210 548 L C 2.123 178.962 176.870 -0.051 0.000 1.076 548 L CA 2.327 57.135 54.840 -0.054 0.000 0.749 548 L CB -0.667 41.359 42.059 -0.054 0.000 0.893 548 L HN 0.531 nan 8.230 nan 0.000 0.432 549 E N -0.795 119.382 120.200 -0.039 0.000 2.204 549 E HA -0.225 5.610 4.350 2.476 0.000 0.195 549 E C 1.858 178.435 176.600 -0.040 0.000 0.990 549 E CA 1.310 57.691 56.400 -0.031 0.000 0.821 549 E CB -0.028 29.661 29.700 -0.017 0.000 0.750 549 E HN 0.656 nan 8.360 nan 0.000 0.477 550 E N -0.683 119.482 120.200 -0.059 0.000 2.318 550 E HA -0.049 5.786 4.350 2.476 0.000 0.193 550 E C 1.663 178.161 176.600 -0.170 0.000 0.998 550 E CA 0.836 57.153 56.400 -0.139 0.000 0.859 550 E CB 0.377 30.009 29.700 -0.113 0.000 0.812 550 E HN 0.397 nan 8.360 nan 0.000 0.492 551 C N -1.066 118.189 119.300 -0.076 0.000 3.657 551 C HA 0.307 6.252 4.460 2.476 0.000 0.291 551 C C 2.520 177.481 174.990 -0.049 0.000 1.572 551 C CA -0.078 58.927 59.018 -0.021 0.000 1.818 551 C CB -0.560 27.220 27.740 0.067 0.000 2.903 551 C HN 0.227 nan 8.230 nan 0.000 0.632 552 S N 2.507 118.169 115.700 -0.064 0.000 2.374 552 S HA -0.238 5.717 4.470 2.476 0.000 0.227 552 S C 1.938 176.520 174.600 -0.030 0.000 1.037 552 S CA 1.508 59.667 58.200 -0.068 0.000 1.024 552 S CB -0.617 62.552 63.200 -0.052 0.000 0.861 552 S HN 0.775 nan 8.310 nan 0.000 0.456 553 R N 0.857 121.364 120.500 0.012 0.000 2.092 553 R HA 0.025 5.850 4.340 2.476 0.000 0.231 553 R C 2.675 179.012 176.300 0.062 0.000 1.119 553 R CA 1.569 57.696 56.100 0.046 0.000 0.970 553 R CB -0.329 30.028 30.300 0.095 0.000 0.864 553 R HN 0.451 nan 8.270 nan 0.000 0.440 554 Q N 0.101 119.960 119.800 0.097 0.000 2.172 554 Q HA -0.055 5.770 4.340 2.476 0.000 0.200 554 Q C 1.816 177.981 176.000 0.275 0.000 0.964 554 Q CA 0.811 56.723 55.803 0.181 0.000 0.855 554 Q CB -0.017 28.877 28.738 0.260 0.000 0.918 554 Q HN 0.106 nan 8.270 nan 0.000 0.444 555 L N 0.849 122.138 121.223 0.111 0.000 2.017 555 L HA -0.185 5.640 4.340 2.476 0.000 0.208 555 L C 1.501 178.369 176.870 -0.004 0.000 1.073 555 L CA 1.868 56.664 54.840 -0.073 0.000 0.745 555 L CB -0.987 40.886 42.059 -0.310 0.000 0.894 555 L HN 0.223 nan 8.230 nan 0.000 0.432 556 D N -0.797 119.599 120.400 -0.007 0.000 2.149 556 D HA -0.223 5.903 4.640 2.476 0.000 0.198 556 D C 2.130 178.441 176.300 0.019 0.000 0.990 556 D CA 1.110 55.111 54.000 0.000 0.000 0.839 556 D CB 0.163 40.963 40.800 -0.000 0.000 0.948 556 D HN 0.350 nan 8.370 nan 0.000 0.460 557 E N 0.303 120.526 120.200 0.039 0.000 2.051 557 E HA -0.148 5.688 4.350 2.476 0.000 0.192 557 E C 1.980 178.599 176.600 0.031 0.000 0.991 557 E CA 0.571 56.991 56.400 0.034 0.000 0.799 557 E CB -0.331 29.391 29.700 0.036 0.000 0.748 557 E HN 0.119 nan 8.360 nan 0.000 0.449 558 L N 0.255 121.518 121.223 0.066 0.000 2.093 558 L HA -0.020 5.806 4.340 2.476 0.000 0.208 558 L C 2.068 178.936 176.870 -0.003 0.000 1.085 558 L CA 1.410 56.268 54.840 0.031 0.000 0.755 558 L CB -0.293 41.830 42.059 0.107 0.000 0.904 558 L HN 0.285 nan 8.230 nan 0.000 0.435 559 I N -1.346 119.231 120.570 0.012 0.000 2.179 559 I HA -0.309 5.347 4.170 2.476 0.000 0.242 559 I C 2.222 178.335 176.117 -0.007 0.000 1.088 559 I CA 1.656 62.955 61.300 -0.000 0.000 1.357 559 I CB -0.722 37.276 38.000 -0.003 0.000 1.051 559 I HN 0.221 nan 8.210 nan 0.000 0.409 560 T N 1.460 116.011 114.554 -0.005 0.000 2.684 560 T HA -0.164 5.672 4.350 2.476 0.000 0.267 560 T C 1.961 176.647 174.700 -0.023 0.000 1.036 560 T CA 1.381 63.476 62.100 -0.009 0.000 1.148 560 T CB -0.366 68.500 68.868 -0.003 0.000 0.863 560 T HN 0.230 nan 8.240 nan 0.000 0.436 561 L N 0.649 121.855 121.223 -0.028 0.000 2.012 561 L HA -0.137 5.688 4.340 2.476 0.000 0.210 561 L C 3.077 179.887 176.870 -0.101 0.000 1.073 561 L CA 1.342 56.153 54.840 -0.048 0.000 0.748 561 L CB -0.758 41.279 42.059 -0.037 0.000 0.891 561 L HN 0.258 nan 8.230 nan 0.000 0.431 562 A N -0.331 122.436 122.820 -0.088 0.000 1.883 562 A HA -0.276 5.530 4.320 2.476 0.000 0.217 562 A C 2.206 179.729 177.584 -0.102 0.000 1.186 562 A CA 1.766 53.745 52.037 -0.096 0.000 0.624 562 A CB -0.552 18.453 19.000 0.009 0.000 0.822 562 A HN 0.496 nan 8.150 nan 0.000 0.444 563 Q N -0.905 118.870 119.800 -0.041 0.000 2.096 563 Q HA -0.123 5.703 4.340 2.476 0.000 0.204 563 Q C 2.189 178.166 176.000 -0.039 0.000 0.982 563 Q CA 1.265 57.059 55.803 -0.016 0.000 0.850 563 Q CB -0.450 28.287 28.738 -0.001 0.000 0.901 563 Q HN 0.696 nan 8.270 nan 0.000 0.422 564 G N 0.893 109.656 108.800 -0.061 0.000 2.408 564 G HA2 -0.238 5.207 3.960 2.476 0.000 0.217 564 G HA3 -0.238 5.207 3.960 2.476 0.000 0.217 564 G C 0.854 175.701 174.900 -0.089 0.000 1.150 564 G CA 0.890 45.957 45.100 -0.055 0.000 0.776 564 G HN 0.218 nan 8.290 nan 0.000 0.542 565 D N 0.433 120.692 120.400 -0.235 0.000 2.097 565 D HA -0.084 6.041 4.640 2.476 0.000 0.195 565 D C 2.282 178.325 176.300 -0.428 0.000 0.989 565 D CA 0.778 54.467 54.000 -0.518 0.000 0.827 565 D CB -0.146 39.735 40.800 -1.532 0.000 0.966 565 D HN 0.209 nan 8.370 nan 0.000 0.456 566 K N 1.075 121.326 120.400 -0.248 0.000 2.032 566 K HA -0.103 5.702 4.320 2.476 0.000 0.209 566 K C 1.944 178.628 176.600 0.139 0.000 1.048 566 K CA 1.343 57.692 56.287 0.103 0.000 0.927 566 K CB -0.212 32.420 32.500 0.219 0.000 0.712 566 K HN 0.041 nan 8.250 nan 0.000 0.441 567 A N 0.677 123.540 122.820 0.072 0.000 1.972 567 A HA -0.104 5.701 4.320 2.476 0.000 0.219 567 A C 2.271 179.897 177.584 0.069 0.000 1.169 567 A CA 1.955 54.038 52.037 0.076 0.000 0.635 567 A CB -0.487 18.531 19.000 0.031 0.000 0.810 567 A HN 0.402 nan 8.150 nan 0.000 0.446 568 S N -0.003 115.726 115.700 0.049 0.000 2.368 568 S HA -0.116 5.839 4.470 2.476 0.000 0.225 568 S C 1.821 176.479 174.600 0.097 0.000 1.030 568 S CA 1.438 59.668 58.200 0.050 0.000 0.999 568 S CB -0.475 62.730 63.200 0.008 0.000 0.844 568 S HN 0.537 nan 8.310 nan 0.000 0.459 569 L N 1.440 122.736 121.223 0.122 0.000 2.012 569 L HA -0.201 5.625 4.340 2.476 0.000 0.210 569 L C 2.216 179.164 176.870 0.130 0.000 1.073 569 L CA 1.295 56.153 54.840 0.030 0.000 0.748 569 L CB -0.843 40.978 42.059 -0.397 0.000 0.891 569 L HN 0.218 nan 8.230 nan 0.000 0.431 570 D N -0.344 120.189 120.400 0.221 0.000 2.116 570 D HA -0.261 5.865 4.640 2.476 0.000 0.193 570 D C 2.154 178.554 176.300 0.166 0.000 0.998 570 D CA 1.380 55.519 54.000 0.233 0.000 0.836 570 D CB -0.161 40.753 40.800 0.191 0.000 0.951 570 D HN 0.264 nan 8.370 nan 0.000 0.449 571 M N 0.045 119.729 119.600 0.139 0.000 2.065 571 M HA -0.187 5.778 4.480 2.476 0.000 0.259 571 M C 1.753 178.171 176.300 0.198 0.000 1.069 571 M CA 1.252 56.658 55.300 0.176 0.000 1.110 571 M CB 0.059 32.731 32.600 0.119 0.000 1.328 571 M HN -0.051 nan 8.290 nan 0.000 0.405 572 I N -0.235 120.411 120.570 0.127 0.000 2.127 572 I HA -0.245 5.411 4.170 2.476 0.000 0.241 572 I C 2.442 178.598 176.117 0.065 0.000 1.075 572 I CA 1.279 62.621 61.300 0.069 0.000 1.334 572 I CB -1.746 36.281 38.000 0.044 0.000 1.040 572 I HN 0.166 nan 8.210 nan 0.000 0.405 573 V N 1.355 121.329 119.914 0.101 0.000 2.469 573 V HA -0.269 5.337 4.120 2.476 0.000 0.251 573 V C 2.759 178.906 176.094 0.088 0.000 1.064 573 V CA 1.752 64.114 62.300 0.103 0.000 1.066 573 V CB -1.134 30.787 31.823 0.162 0.000 0.667 573 V HN 0.488 nan 8.190 nan 0.000 0.461 574 A N -1.094 121.794 122.820 0.113 0.000 1.897 574 A HA -0.229 5.577 4.320 2.476 0.000 0.215 574 A C 2.177 179.795 177.584 0.057 0.000 1.181 574 A CA 1.550 53.652 52.037 0.108 0.000 0.620 574 A CB -0.408 18.695 19.000 0.172 0.000 0.821 574 A HN 0.578 nan 8.150 nan 0.000 0.443 575 Q N -0.415 119.401 119.800 0.026 0.000 2.096 575 Q HA -0.132 5.693 4.340 2.476 0.000 0.204 575 Q C 2.035 178.005 176.000 -0.050 0.000 0.982 575 Q CA 1.558 57.309 55.803 -0.087 0.000 0.850 575 Q CB -0.343 28.317 28.738 -0.130 0.000 0.901 575 Q HN 0.672 nan 8.270 nan 0.000 0.422 576 L N 0.631 121.843 121.223 -0.018 0.000 2.141 576 L HA -0.158 5.667 4.340 2.476 0.000 0.209 576 L C 1.440 178.312 176.870 0.003 0.000 1.094 576 L CA 0.583 55.418 54.840 -0.008 0.000 0.763 576 L CB -0.210 41.849 42.059 0.001 0.000 0.908 576 L HN 0.208 nan 8.230 nan 0.000 0.437 577 N N 0.103 118.812 118.700 0.014 0.000 2.398 577 N HA -0.039 6.187 4.740 2.476 0.000 0.188 577 N C -0.008 175.508 175.510 0.011 0.000 1.122 577 N CA 0.162 53.223 53.050 0.018 0.000 0.866 577 N CB 0.135 38.641 38.487 0.032 0.000 0.970 577 N HN 0.212 nan 8.380 nan 0.000 0.462 578 E N 0.495 120.692 120.200 -0.004 0.000 2.403 578 E HA -0.218 5.617 4.350 2.476 0.000 0.241 578 E C -0.818 175.785 176.600 0.005 0.000 1.201 578 E CA 0.415 56.807 56.400 -0.014 0.000 0.721 578 E CB -0.988 28.703 29.700 -0.013 0.000 1.245 578 E HN 0.279 nan 8.360 nan 0.000 0.392 579 D N -0.043 120.373 120.400 0.025 0.000 2.467 579 D HA 0.141 6.266 4.640 2.476 0.000 0.220 579 D C 0.797 177.148 176.300 0.085 0.000 1.103 579 D CA -0.067 53.962 54.000 0.048 0.000 0.886 579 D CB 0.927 41.759 40.800 0.053 0.000 1.025 579 D HN -0.081 nan 8.370 nan 0.000 0.514 580 T N 2.459 117.059 114.554 0.076 0.000 2.788 580 T HA -0.189 5.647 4.350 2.476 0.000 0.268 580 T C 1.571 176.369 174.700 0.164 0.000 1.044 580 T CA 1.570 63.743 62.100 0.123 0.000 1.139 580 T CB 0.117 69.031 68.868 0.077 0.000 0.867 580 T HN 0.662 nan 8.240 nan 0.000 0.454 581 E N 0.836 121.096 120.200 0.100 0.000 2.112 581 E HA 0.024 5.859 4.350 2.476 0.000 0.190 581 E C 2.338 178.981 176.600 0.072 0.000 0.979 581 E CA 0.926 57.370 56.400 0.074 0.000 0.814 581 E CB -0.280 29.449 29.700 0.047 0.000 0.762 581 E HN 0.426 nan 8.360 nan 0.000 0.460 582 A N 0.817 123.688 122.820 0.085 0.000 1.969 582 A HA -0.154 5.651 4.320 2.476 0.000 0.218 582 A C 2.052 179.704 177.584 0.113 0.000 1.169 582 A CA 1.215 53.301 52.037 0.082 0.000 0.635 582 A CB -1.091 17.957 19.000 0.080 0.000 0.810 582 A HN 0.595 nan 8.150 nan 0.000 0.445 583 Y N 0.092 120.406 120.300 0.024 0.000 2.062 583 Y HA -0.303 5.733 4.550 2.476 0.000 0.276 583 Y C 2.391 178.303 175.900 0.020 0.000 1.189 583 Y CA 2.409 60.522 58.100 0.022 0.000 1.130 583 Y CB 0.121 38.591 38.460 0.018 0.000 0.959 583 Y HN 0.296 nan 8.280 nan 0.000 0.499 584 E N -1.101 119.011 120.200 -0.147 0.000 2.290 584 E HA -0.050 5.786 4.350 2.476 0.000 0.197 584 E C 2.275 178.765 176.600 -0.183 0.000 0.948 584 E CA 0.778 57.014 56.400 -0.274 0.000 0.895 584 E CB 0.258 29.927 29.700 -0.052 0.000 0.865 584 E HN 0.398 nan 8.360 nan 0.000 0.486 585 S N 0.530 116.177 115.700 -0.089 0.000 2.371 585 S HA -0.035 5.920 4.470 2.476 0.000 0.224 585 S C 2.047 176.614 174.600 -0.056 0.000 1.029 585 S CA 1.220 59.387 58.200 -0.054 0.000 0.978 585 S CB 0.055 63.247 63.200 -0.013 0.000 0.833 585 S HN 0.230 nan 8.310 nan 0.000 0.466 586 A N 1.642 124.430 122.820 -0.054 0.000 1.898 586 A HA -0.007 5.799 4.320 2.476 0.000 0.216 586 A C 2.168 179.704 177.584 -0.079 0.000 1.181 586 A CA 1.639 53.658 52.037 -0.030 0.000 0.620 586 A CB -0.698 18.317 19.000 0.025 0.000 0.819 586 A HN 0.623 nan 8.150 nan 0.000 0.442 587 K N 0.039 120.326 120.400 -0.188 0.000 2.097 587 K HA -0.219 5.586 4.320 2.476 0.000 0.206 587 K C 2.035 178.548 176.600 -0.144 0.000 1.049 587 K CA 1.706 57.860 56.287 -0.222 0.000 0.933 587 K CB -0.183 32.029 32.500 -0.479 0.000 0.717 587 K HN 0.646 nan 8.250 nan 0.000 0.442 588 E N 0.780 120.901 120.200 -0.132 0.000 2.058 588 E HA -0.218 5.617 4.350 2.476 0.000 0.194 588 E C 1.999 178.566 176.600 -0.054 0.000 0.997 588 E CA 1.616 57.967 56.400 -0.082 0.000 0.801 588 E CB -0.166 29.492 29.700 -0.070 0.000 0.746 588 E HN 0.376 nan 8.360 nan 0.000 0.450 589 I N 1.253 121.796 120.570 -0.045 0.000 2.127 589 I HA -0.302 5.354 4.170 2.476 0.000 0.241 589 I C 2.712 178.813 176.117 -0.026 0.000 1.075 589 I CA 1.215 62.499 61.300 -0.026 0.000 1.334 589 I CB -0.519 37.475 38.000 -0.011 0.000 1.040 589 I HN 0.246 nan 8.210 nan 0.000 0.405 590 A N 0.179 122.980 122.820 -0.032 0.000 1.873 590 A HA -0.353 5.452 4.320 2.476 0.000 0.218 590 A C 2.251 179.816 177.584 -0.031 0.000 1.193 590 A CA 2.445 54.464 52.037 -0.030 0.000 0.629 590 A CB -0.843 18.136 19.000 -0.035 0.000 0.826 590 A HN 0.456 nan 8.150 nan 0.000 0.447 591 Q N 0.061 119.837 119.800 -0.040 0.000 2.050 591 Q HA -0.167 5.658 4.340 2.476 0.000 0.202 591 Q C 1.866 177.851 176.000 -0.024 0.000 0.980 591 Q CA 2.194 57.977 55.803 -0.034 0.000 0.840 591 Q CB -0.375 28.338 28.738 -0.043 0.000 0.898 591 Q HN 0.671 nan 8.270 nan 0.000 0.424 592 N N -0.218 118.468 118.700 -0.024 0.000 2.120 592 N HA -0.127 6.099 4.740 2.476 0.000 0.188 592 N C 1.377 176.879 175.510 -0.013 0.000 1.024 592 N CA 1.143 54.183 53.050 -0.017 0.000 0.852 592 N CB -0.098 38.378 38.487 -0.017 0.000 1.003 592 N HN 0.179 nan 8.380 nan 0.000 0.424 593 K N 0.957 121.349 120.400 -0.014 0.000 2.026 593 K HA -0.075 5.731 4.320 2.476 0.000 0.208 593 K C 2.022 178.617 176.600 -0.009 0.000 1.048 593 K CA 0.409 56.689 56.287 -0.012 0.000 0.929 593 K CB -0.886 31.604 32.500 -0.016 0.000 0.713 593 K HN 0.148 nan 8.250 nan 0.000 0.439 594 L N 2.295 123.512 121.223 -0.011 0.000 2.042 594 L HA -0.183 5.643 4.340 2.476 0.000 0.210 594 L C 1.584 178.452 176.870 -0.003 0.000 1.076 594 L CA 1.789 56.626 54.840 -0.005 0.000 0.749 594 L CB -0.700 41.355 42.059 -0.007 0.000 0.893 594 L HN 0.119 nan 8.230 nan 0.000 0.432 595 N N -0.904 117.792 118.700 -0.006 0.000 2.120 595 N HA -0.149 6.077 4.740 2.476 0.000 0.188 595 N C 1.740 177.250 175.510 0.000 0.000 1.024 595 N CA 1.862 54.910 53.050 -0.003 0.000 0.852 595 N CB -0.798 37.686 38.487 -0.006 0.000 1.003 595 N HN 0.404 nan 8.380 nan 0.000 0.424 596 T N 1.119 115.672 114.554 -0.001 0.000 2.635 596 T HA -0.144 5.691 4.350 2.476 0.000 0.267 596 T C 1.958 176.661 174.700 0.004 0.000 1.040 596 T CA 1.690 63.792 62.100 0.003 0.000 1.156 596 T CB -0.500 68.369 68.868 0.001 0.000 0.863 596 T HN 0.368 nan 8.240 nan 0.000 0.430 597 A N 1.122 123.942 122.820 0.002 0.000 1.908 597 A HA -0.018 5.788 4.320 2.476 0.000 0.218 597 A C 2.343 179.926 177.584 -0.002 0.000 1.181 597 A CA 1.307 53.344 52.037 0.001 0.000 0.627 597 A CB -0.866 18.135 19.000 0.002 0.000 0.818 597 A HN 0.493 nan 8.150 nan 0.000 0.445 598 L N -0.733 120.491 121.223 0.002 0.000 2.093 598 L HA -0.110 5.715 4.340 2.476 0.000 0.208 598 L C 2.490 179.362 176.870 0.003 0.000 1.085 598 L CA 1.449 56.291 54.840 0.003 0.000 0.755 598 L CB -0.335 41.728 42.059 0.006 0.000 0.904 598 L HN 0.290 nan 8.230 nan 0.000 0.435 599 S N -1.050 114.655 115.700 0.008 0.000 2.562 599 S HA 0.040 5.995 4.470 2.476 0.000 0.221 599 S C 0.921 175.537 174.600 0.027 0.000 0.975 599 S CA -0.045 58.164 58.200 0.016 0.000 0.918 599 S CB 0.098 63.307 63.200 0.015 0.000 0.772 599 S HN 0.241 nan 8.310 nan 0.000 0.531 600 S N 1.079 116.793 115.700 0.022 0.000 2.584 600 S HA 0.320 6.275 4.470 2.476 0.000 0.273 600 S C 0.620 175.252 174.600 0.054 0.000 1.311 600 S CA -0.647 57.581 58.200 0.046 0.000 1.034 600 S CB 0.600 63.819 63.200 0.032 0.000 0.939 600 S HN 0.427 nan 8.310 nan 0.000 0.513 601 F N 2.702 122.624 119.950 -0.046 0.000 2.120 601 F HA -0.067 5.943 4.527 2.472 0.000 0.300 601 F C 1.280 177.021 175.800 -0.099 0.000 1.095 601 F CA 1.312 59.268 58.000 -0.072 0.000 1.249 601 F CB -0.363 38.602 39.000 -0.059 0.000 0.995 601 F HN 0.624 nan 8.300 nan 0.000 0.480 602 A N 0.845 123.592 122.820 -0.122 0.000 2.462 602 A HA 0.472 6.277 4.320 2.476 0.000 0.243 602 A C -0.638 176.804 177.584 -0.236 0.000 1.076 602 A CA -0.157 51.754 52.037 -0.211 0.000 0.773 602 A CB 0.331 19.330 19.000 -0.003 0.000 1.010 602 A HN 0.123 nan 8.150 nan 0.000 0.493 603 V N 3.166 122.923 119.914 -0.262 0.000 2.686 603 V HA 0.676 6.281 4.120 2.476 0.000 0.306 603 V C -0.410 175.633 176.094 -0.084 0.000 1.065 603 V CA -0.285 61.906 62.300 -0.182 0.000 0.894 603 V CB 1.548 33.191 31.823 -0.300 0.000 1.004 603 V HN 0.890 nan 8.190 nan 0.000 0.424 604 I N 2.788 123.345 120.570 -0.021 0.000 2.828 604 I HA 0.460 6.115 4.170 2.476 0.000 0.295 604 I C 0.324 176.464 176.117 0.039 0.000 1.459 604 I CA -0.001 61.296 61.300 -0.004 0.000 1.015 604 I CB 2.262 40.250 38.000 -0.020 0.000 1.345 604 I HN 0.731 nan 8.210 nan 0.000 0.449 605 S N 2.925 118.663 115.700 0.064 0.000 3.614 605 S HA -0.177 5.778 4.470 2.476 0.000 0.360 605 S C 0.993 175.650 174.600 0.095 0.000 1.023 605 S CA 1.502 59.776 58.200 0.123 0.000 1.114 605 S CB -0.858 62.492 63.200 0.250 0.000 0.907 605 S HN 0.850 nan 8.310 nan 0.000 0.470 606 E N 1.106 121.346 120.200 0.068 0.000 2.070 606 E HA -0.131 5.704 4.350 2.476 0.000 0.197 606 E C 1.916 178.556 176.600 0.067 0.000 1.004 606 E CA 1.541 57.979 56.400 0.064 0.000 0.805 606 E CB -0.018 29.714 29.700 0.055 0.000 0.744 606 E HN 0.435 nan 8.360 nan 0.000 0.451 607 K N 0.075 120.508 120.400 0.055 0.000 2.444 607 K HA 0.105 5.910 4.320 2.476 0.000 0.193 607 K C 1.067 177.726 176.600 0.099 0.000 1.024 607 K CA 0.267 56.591 56.287 0.061 0.000 1.077 607 K CB 0.686 33.202 32.500 0.027 0.000 0.833 607 K HN 0.069 nan 8.250 nan 0.000 0.517 608 V N -0.563 119.422 119.914 0.119 0.000 4.535 608 V HA 0.157 5.762 4.120 2.476 0.000 0.173 608 V C 1.877 178.099 176.094 0.213 0.000 1.036 608 V CA 0.710 63.102 62.300 0.154 0.000 1.412 608 V CB -0.682 31.198 31.823 0.094 0.000 1.991 608 V HN 0.063 nan 8.190 nan 0.000 0.469 609 A N -0.580 122.370 122.820 0.216 0.000 1.972 609 A HA -0.241 5.564 4.320 2.476 0.000 0.219 609 A C 2.101 179.762 177.584 0.130 0.000 1.169 609 A CA 2.357 54.485 52.037 0.150 0.000 0.635 609 A CB -0.534 18.506 19.000 0.067 0.000 0.810 609 A HN 0.667 nan 8.150 nan 0.000 0.446 610 Q N -0.867 119.005 119.800 0.120 0.000 2.033 610 Q HA -0.106 5.720 4.340 2.476 0.000 0.196 610 Q C 2.326 178.397 176.000 0.118 0.000 0.970 610 Q CA 1.570 57.428 55.803 0.092 0.000 0.828 610 Q CB -0.225 28.554 28.738 0.068 0.000 0.895 610 Q HN 0.565 nan 8.270 nan 0.000 0.440 611 S N -0.309 115.477 115.700 0.143 0.000 2.382 611 S HA -0.153 5.802 4.470 2.476 0.000 0.228 611 S C 1.608 176.336 174.600 0.214 0.000 1.027 611 S CA 0.930 59.216 58.200 0.143 0.000 0.991 611 S CB -0.495 62.788 63.200 0.139 0.000 0.823 611 S HN 0.529 nan 8.310 nan 0.000 0.469 612 F N 2.271 122.309 119.950 0.147 0.000 2.120 612 F HA -0.138 5.875 4.527 2.476 0.000 0.300 612 F C 1.727 177.642 175.800 0.192 0.000 1.095 612 F CA 1.696 59.837 58.000 0.235 0.000 1.249 612 F CB -0.424 38.680 39.000 0.173 0.000 0.995 612 F HN 0.249 nan 8.300 nan 0.000 0.480 613 I N -0.066 120.575 120.570 0.119 0.000 2.142 613 I HA -0.349 5.306 4.170 2.476 0.000 0.240 613 I C 2.411 178.495 176.117 -0.055 0.000 1.078 613 I CA 1.617 62.909 61.300 -0.013 0.000 1.343 613 I CB -0.869 37.142 38.000 0.017 0.000 1.046 613 I HN 0.203 nan 8.210 nan 0.000 0.405 614 Q N 0.746 120.536 119.800 -0.017 0.000 2.112 614 Q HA -0.271 5.555 4.340 2.476 0.000 0.206 614 Q C 2.150 178.091 176.000 -0.099 0.000 0.987 614 Q CA 1.909 57.688 55.803 -0.041 0.000 0.858 614 Q CB -0.230 28.500 28.738 -0.013 0.000 0.905 614 Q HN 0.559 nan 8.270 nan 0.000 0.420 615 E N 0.489 120.618 120.200 -0.118 0.000 2.077 615 E HA -0.184 5.652 4.350 2.476 0.000 0.193 615 E C 1.979 178.308 176.600 -0.452 0.000 0.989 615 E CA 1.023 57.247 56.400 -0.293 0.000 0.800 615 E CB -0.162 29.403 29.700 -0.225 0.000 0.746 615 E HN 0.381 nan 8.360 nan 0.000 0.452 616 A N 0.997 123.617 122.820 -0.333 0.000 1.898 616 A HA -0.127 5.678 4.320 2.476 0.000 0.216 616 A C 2.159 179.677 177.584 -0.110 0.000 1.181 616 A CA 0.980 52.879 52.037 -0.231 0.000 0.620 616 A CB -0.555 18.337 19.000 -0.180 0.000 0.819 616 A HN 0.136 nan 8.150 nan 0.000 0.442 617 L N -0.239 120.929 121.223 -0.092 0.000 2.275 617 L HA -0.087 5.739 4.340 2.476 0.000 0.215 617 L C 2.083 178.935 176.870 -0.030 0.000 1.119 617 L CA 1.172 55.991 54.840 -0.034 0.000 0.790 617 L CB -0.121 41.915 42.059 -0.038 0.000 0.919 617 L HN 0.276 nan 8.230 nan 0.000 0.443 618 S N -1.216 114.429 115.700 -0.091 0.000 2.575 618 S HA 0.093 6.048 4.470 2.476 0.000 0.215 618 S C 0.392 174.926 174.600 -0.110 0.000 0.966 618 S CA -0.266 57.871 58.200 -0.105 0.000 0.911 618 S CB -0.062 63.045 63.200 -0.155 0.000 0.780 618 S HN 0.202 nan 8.310 nan 0.000 0.514 619 F N 3.171 122.969 119.950 -0.254 0.000 2.390 619 F HA 0.239 6.251 4.527 2.475 0.000 0.361 619 F C -0.091 175.636 175.800 -0.121 0.000 1.124 619 F CA -0.997 56.853 58.000 -0.250 0.000 1.149 619 F CB 0.469 39.232 39.000 -0.395 0.000 1.160 619 F HN -0.076 nan 8.300 nan 0.000 0.501 620 D N 7.058 127.592 120.400 0.224 0.000 2.393 620 D HA 0.148 6.274 4.640 2.476 0.000 0.232 620 D C 0.392 176.831 176.300 0.232 0.000 1.192 620 D CA 0.166 54.258 54.000 0.153 0.000 0.882 620 D CB 0.848 41.668 40.800 0.034 0.000 1.038 620 D HN 0.661 nan 8.370 nan 0.000 0.499 621 L N 2.714 124.018 121.223 0.135 0.000 2.700 621 L HA 0.049 5.874 4.340 2.476 0.000 0.234 621 L C 2.079 178.922 176.870 -0.046 0.000 1.156 621 L CA 0.152 55.024 54.840 0.053 0.000 0.946 621 L CB 0.253 42.283 42.059 -0.048 0.000 1.216 621 L HN 0.353 nan 8.230 nan 0.000 0.493 622 T N -3.167 111.336 114.554 -0.086 0.000 3.148 622 T HA 0.125 5.961 4.350 2.476 0.000 0.253 622 T C 0.781 175.448 174.700 -0.054 0.000 1.134 622 T CA -0.102 61.923 62.100 -0.124 0.000 1.051 622 T CB -0.220 68.546 68.868 -0.170 0.000 0.959 622 T HN 0.071 nan 8.240 nan 0.000 0.525 623 L N 2.224 123.437 121.223 -0.016 0.000 2.485 623 L HA 0.389 6.214 4.340 2.476 0.000 0.279 623 L C -0.129 176.740 176.870 -0.002 0.000 1.124 623 L CA -0.208 54.630 54.840 -0.003 0.000 0.888 623 L CB 0.089 42.156 42.059 0.014 0.000 1.217 623 L HN 0.282 nan 8.230 nan 0.000 0.464 624 I N 0.000 120.565 120.570 -0.008 0.000 2.984 624 I HA 0.000 5.655 4.170 2.476 0.000 0.288 624 I CA 0.000 61.296 61.300 -0.006 0.000 1.566 624 I CB 0.000 37.992 38.000 -0.014 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494