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 1ivx_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.588 177.584 0.006 0.000 1.274 9 A CA 0.000 52.042 52.037 0.008 0.000 0.836 9 A CB 0.000 19.010 19.000 0.016 0.000 0.831 10 S N 1.990 117.704 115.700 0.023 0.000 2.564 10 S HA 0.436 4.895 4.470 -0.018 0.000 0.278 10 S C -1.412 173.193 174.600 0.008 0.000 1.333 10 S CA -0.492 57.738 58.200 0.051 0.000 1.048 10 S CB 0.905 64.170 63.200 0.108 0.000 0.900 10 S HN 0.403 nan 8.310 nan 0.000 0.505 11 P HA 0.074 nan 4.420 nan 0.000 0.242 11 P C 0.108 177.099 177.300 -0.515 0.000 1.197 11 P CA 0.573 63.499 63.100 -0.289 0.000 0.765 11 P CB -0.166 31.302 31.700 -0.388 0.000 0.936 12 F N 0.111 119.988 119.950 -0.122 0.000 2.682 12 F HA 0.223 4.740 4.527 -0.017 0.000 0.308 12 F C 1.585 177.320 175.800 -0.108 0.000 1.093 12 F CA -0.743 57.138 58.000 -0.198 0.000 1.244 12 F CB 0.021 38.900 39.000 -0.202 0.000 1.052 12 F HN -0.183 nan 8.300 nan 0.000 0.573 13 R N 1.400 121.939 120.500 0.064 0.000 2.784 13 R HA 0.192 4.521 4.340 -0.018 0.000 0.266 13 R C -0.352 175.973 176.300 0.041 0.000 1.044 13 R CA -0.300 55.841 56.100 0.068 0.000 1.151 13 R CB 0.411 30.741 30.300 0.050 0.000 1.037 13 R HN 0.167 nan 8.270 nan 0.000 0.478 14 L N 2.188 123.450 121.223 0.065 0.000 2.439 14 L HA 0.191 4.520 4.340 -0.018 0.000 0.269 14 L C 0.752 177.664 176.870 0.071 0.000 1.179 14 L CA -0.223 54.658 54.840 0.069 0.000 0.828 14 L CB 0.765 42.867 42.059 0.072 0.000 1.106 14 L HN 0.837 nan 8.230 nan 0.000 0.467 15 A N 2.535 125.412 122.820 0.096 0.000 2.540 15 A HA 0.315 4.625 4.320 -0.018 0.000 0.239 15 A C 0.443 178.103 177.584 0.127 0.000 1.061 15 A CA -0.039 52.109 52.037 0.185 0.000 0.758 15 A CB -0.040 19.147 19.000 0.312 0.000 0.991 15 A HN 0.769 nan 8.150 nan 0.000 0.502 16 S N 1.518 117.285 115.700 0.112 0.000 2.690 16 S HA 0.642 5.101 4.470 -0.018 0.000 0.291 16 S C 1.210 175.826 174.600 0.028 0.000 1.138 16 S CA -0.214 58.020 58.200 0.056 0.000 1.013 16 S CB 1.530 64.755 63.200 0.042 0.000 1.053 16 S HN 1.621 nan 8.310 nan 0.000 0.539 17 A N 1.522 124.348 122.820 0.009 0.000 1.908 17 A HA 0.087 4.396 4.320 -0.018 0.000 0.218 17 A C 2.169 179.736 177.584 -0.030 0.000 1.181 17 A CA 1.969 54.001 52.037 -0.010 0.000 0.627 17 A CB -1.889 17.108 19.000 -0.006 0.000 0.818 17 A HN 1.216 nan 8.150 nan 0.000 0.445 18 G N -0.479 108.309 108.800 -0.021 0.000 2.440 18 G HA2 -0.253 3.696 3.960 -0.018 0.000 0.218 18 G HA3 -0.253 3.696 3.960 -0.018 0.000 0.218 18 G C 1.418 176.277 174.900 -0.068 0.000 1.154 18 G CA 1.065 46.145 45.100 -0.033 0.000 0.767 18 G HN 0.685 nan 8.290 nan 0.000 0.552 19 E N -0.154 120.004 120.200 -0.071 0.000 2.208 19 E HA -0.026 4.313 4.350 -0.018 0.000 0.193 19 E C 2.485 178.859 176.600 -0.378 0.000 0.988 19 E CA 0.235 56.531 56.400 -0.173 0.000 0.828 19 E CB -0.000 29.680 29.700 -0.032 0.000 0.763 19 E HN 0.346 nan 8.360 nan 0.000 0.478 20 I N 0.890 121.306 120.570 -0.258 0.000 2.202 20 I HA -0.185 3.974 4.170 -0.018 0.000 0.242 20 I C 2.277 178.275 176.117 -0.198 0.000 1.091 20 I CA 1.085 62.225 61.300 -0.266 0.000 1.368 20 I CB -1.113 36.814 38.000 -0.123 0.000 1.058 20 I HN -0.014 nan 8.210 nan 0.000 0.410 21 S N 0.559 116.183 115.700 -0.126 0.000 2.370 21 S HA -0.169 4.290 4.470 -0.018 0.000 0.226 21 S C 1.853 176.391 174.600 -0.104 0.000 1.033 21 S CA 1.130 59.277 58.200 -0.087 0.000 1.011 21 S CB -0.175 62.991 63.200 -0.056 0.000 0.852 21 S HN 0.408 nan 8.310 nan 0.000 0.457 22 E N 0.800 120.921 120.200 -0.131 0.000 2.153 22 E HA -0.071 4.268 4.350 -0.018 0.000 0.194 22 E C 2.195 178.706 176.600 -0.149 0.000 0.988 22 E CA 0.669 56.995 56.400 -0.123 0.000 0.811 22 E CB -0.312 29.320 29.700 -0.115 0.000 0.746 22 E HN 0.345 nan 8.360 nan 0.000 0.466 23 V N 1.167 120.936 119.914 -0.241 0.000 2.427 23 V HA -0.247 3.863 4.120 -0.018 0.000 0.248 23 V C 2.583 178.603 176.094 -0.124 0.000 1.051 23 V CA 1.771 63.933 62.300 -0.231 0.000 1.048 23 V CB -0.469 31.122 31.823 -0.388 0.000 0.666 23 V HN 0.266 nan 8.190 nan 0.000 0.456 24 Q N 0.278 120.015 119.800 -0.106 0.000 2.016 24 Q HA -0.151 4.178 4.340 -0.018 0.000 0.200 24 Q C 2.331 178.309 176.000 -0.037 0.000 0.978 24 Q CA 2.021 57.794 55.803 -0.051 0.000 0.833 24 Q CB -0.529 28.188 28.738 -0.035 0.000 0.895 24 Q HN 0.622 nan 8.270 nan 0.000 0.427 25 G N 1.128 109.901 108.800 -0.045 0.000 2.469 25 G HA2 -0.264 3.685 3.960 -0.018 0.000 0.219 25 G HA3 -0.264 3.685 3.960 -0.018 0.000 0.219 25 G C 1.403 176.285 174.900 -0.029 0.000 1.150 25 G CA 1.065 46.146 45.100 -0.033 0.000 0.763 25 G HN 0.384 nan 8.290 nan 0.000 0.561 26 I N 0.190 120.737 120.570 -0.038 0.000 2.315 26 I HA -0.087 4.073 4.170 -0.018 0.000 0.248 26 I C 2.676 178.783 176.117 -0.016 0.000 1.117 26 I CA 0.537 61.821 61.300 -0.027 0.000 1.404 26 I CB -0.134 37.846 38.000 -0.034 0.000 1.071 26 I HN 0.141 nan 8.210 nan 0.000 0.419 27 L N -0.011 121.202 121.223 -0.017 0.000 2.072 27 L HA -0.154 4.176 4.340 -0.018 0.000 0.205 27 L C 2.770 179.641 176.870 0.001 0.000 1.079 27 L CA 1.229 56.067 54.840 -0.002 0.000 0.752 27 L CB -0.513 41.546 42.059 0.001 0.000 0.906 27 L HN 0.134 nan 8.230 nan 0.000 0.436 28 R N -0.451 120.048 120.500 -0.002 0.000 2.088 28 R HA -0.161 4.168 4.340 -0.018 0.000 0.232 28 R C 2.275 178.574 176.300 -0.002 0.000 1.136 28 R CA 2.125 58.226 56.100 0.000 0.000 0.926 28 R CB -0.862 29.437 30.300 -0.002 0.000 0.837 28 R HN 0.257 nan 8.270 nan 0.000 0.429 29 T N 0.742 115.292 114.554 -0.006 0.000 2.721 29 T HA -0.228 4.111 4.350 -0.018 0.000 0.268 29 T C 1.663 176.361 174.700 -0.003 0.000 1.038 29 T CA 1.683 63.779 62.100 -0.006 0.000 1.145 29 T CB -0.231 68.632 68.868 -0.008 0.000 0.858 29 T HN 0.443 nan 8.240 nan 0.000 0.459 30 A N -0.004 122.816 122.820 -0.001 0.000 2.238 30 A HA 0.504 4.813 4.320 -0.018 0.000 0.208 30 A C 1.890 179.475 177.584 0.002 0.000 1.177 30 A CA 0.882 52.920 52.037 0.002 0.000 0.804 30 A CB -0.644 18.359 19.000 0.005 0.000 0.823 30 A HN 0.802 nan 8.150 nan 0.000 0.482 31 G N -1.252 107.549 108.800 0.002 0.000 2.143 31 G HA2 -0.247 3.702 3.960 -0.018 0.000 0.248 31 G HA3 -0.247 3.702 3.960 -0.018 0.000 0.248 31 G C 0.608 175.510 174.900 0.004 0.000 0.991 31 G CA 0.538 45.639 45.100 0.001 0.000 0.689 31 G HN 0.477 nan 8.290 nan 0.000 0.522 32 L N -1.412 119.816 121.223 0.008 0.000 2.513 32 L HA 0.439 4.768 4.340 -0.018 0.000 0.222 32 L C 1.277 178.158 176.870 0.017 0.000 1.096 32 L CA 0.246 55.094 54.840 0.013 0.000 0.857 32 L CB 0.404 42.475 42.059 0.020 0.000 1.026 32 L HN 0.210 nan 8.230 nan 0.000 0.469 33 L N 0.858 122.092 121.223 0.018 0.000 2.679 33 L HA 0.502 4.831 4.340 -0.018 0.000 0.238 33 L C 0.591 177.480 176.870 0.031 0.000 1.330 33 L CA -0.230 54.627 54.840 0.030 0.000 0.935 33 L CB 0.330 42.409 42.059 0.034 0.000 1.243 33 L HN -0.072 nan 8.230 nan 0.000 0.484 34 G N 1.033 109.847 108.800 0.023 0.000 2.588 34 G HA2 0.299 4.248 3.960 -0.018 0.000 0.278 34 G HA3 0.299 4.248 3.960 -0.018 0.000 0.278 34 G C -1.588 173.333 174.900 0.035 0.000 1.307 34 G CA -0.497 44.614 45.100 0.019 0.000 1.016 34 G HN 0.421 nan 8.290 nan 0.000 0.503 35 P HA -0.035 nan 4.420 nan 0.000 0.225 35 P C 0.681 178.016 177.300 0.059 0.000 1.148 35 P CA 0.965 64.085 63.100 0.034 0.000 0.779 35 P CB 0.400 32.102 31.700 0.003 0.000 0.780 36 E N -0.439 119.782 120.200 0.034 0.000 2.474 36 E HA 0.098 4.437 4.350 -0.018 0.000 0.195 36 E C 0.380 176.982 176.600 0.003 0.000 1.039 36 E CA 0.236 56.647 56.400 0.018 0.000 0.881 36 E CB 0.250 29.939 29.700 -0.019 0.000 0.970 36 E HN 0.317 nan 8.360 nan 0.000 0.486 37 K N 1.533 121.955 120.400 0.037 0.000 2.130 37 K HA 0.391 4.700 4.320 -0.018 0.000 0.268 37 K C 0.307 176.946 176.600 0.066 0.000 0.983 37 K CA -0.574 55.728 56.287 0.024 0.000 0.893 37 K CB 1.717 34.234 32.500 0.029 0.000 1.066 37 K HN -0.167 nan 8.250 nan 0.000 0.450 38 R N 1.926 122.448 120.500 0.038 0.000 2.628 38 R HA 0.420 4.750 4.340 -0.018 0.000 0.288 38 R C -0.244 176.073 176.300 0.028 0.000 0.980 38 R CA -1.006 55.091 56.100 -0.005 0.000 0.891 38 R CB 1.245 31.561 30.300 0.027 0.000 1.188 38 R HN 0.447 nan 8.270 nan 0.000 0.450 39 I N 2.840 123.390 120.570 -0.033 0.000 2.347 39 I HA 0.097 4.256 4.170 -0.018 0.000 0.294 39 I C 1.434 177.565 176.117 0.022 0.000 1.090 39 I CA 0.024 61.328 61.300 0.007 0.000 1.314 39 I CB 0.336 38.311 38.000 -0.042 0.000 1.423 39 I HN 0.708 nan 8.210 nan 0.000 0.503 40 A N 6.642 129.536 122.820 0.122 0.000 2.123 40 A HA -0.026 4.283 4.320 -0.018 0.000 0.214 40 A C 0.460 178.166 177.584 0.203 0.000 1.152 40 A CA 0.748 52.871 52.037 0.144 0.000 0.728 40 A CB 0.068 19.185 19.000 0.194 0.000 0.814 40 A HN 0.642 nan 8.150 nan 0.000 0.464 41 Y N -1.968 118.347 120.300 0.024 0.000 2.409 41 Y HA 0.527 5.067 4.550 -0.018 0.000 0.321 41 Y C -1.887 173.906 175.900 -0.177 0.000 1.209 41 Y CA -1.113 56.903 58.100 -0.140 0.000 1.086 41 Y CB 0.939 39.183 38.460 -0.360 0.000 1.320 41 Y HN 0.114 nan 8.280 nan 0.000 0.440 42 L N 5.916 126.526 121.223 -1.021 0.000 2.438 42 L HA 1.008 5.337 4.340 -0.018 0.000 0.270 42 L C -1.048 175.316 176.870 -0.843 0.000 0.972 42 L CA -0.319 54.086 54.840 -0.725 0.000 0.831 42 L CB 1.892 43.784 42.059 -0.279 0.000 1.273 42 L HN 0.927 nan 8.230 nan 0.000 0.405 43 G N 3.221 111.667 108.800 -0.591 0.000 2.759 43 G HA2 0.445 4.394 3.960 -0.018 0.000 0.297 43 G HA3 0.445 4.394 3.960 -0.018 0.000 0.297 43 G C -1.789 173.009 174.900 -0.171 0.000 1.434 43 G CA -0.550 44.383 45.100 -0.277 0.000 0.980 43 G HN 0.484 nan 8.290 nan 0.000 0.531 44 V N 2.193 121.885 119.914 -0.370 0.000 2.715 44 V HA 0.475 4.584 4.120 -0.018 0.000 0.299 44 V C -0.062 175.795 176.094 -0.395 0.000 1.054 44 V CA -0.417 61.390 62.300 -0.822 0.000 1.077 44 V CB 0.923 32.133 31.823 -1.022 0.000 0.972 44 V HN 0.570 nan 8.190 nan 0.000 0.484 45 L N 5.601 126.603 121.223 -0.369 0.000 2.375 45 L HA 0.467 4.796 4.340 -0.018 0.000 0.271 45 L C 0.306 177.040 176.870 -0.226 0.000 1.107 45 L CA 0.081 54.804 54.840 -0.195 0.000 0.806 45 L CB 0.927 42.908 42.059 -0.130 0.000 1.146 45 L HN 0.650 nan 8.230 nan 0.000 0.447 46 D N 2.944 123.257 120.400 -0.145 0.000 2.341 46 D HA 0.223 4.852 4.640 -0.018 0.000 0.245 46 D C -2.054 174.116 176.300 -0.216 0.000 1.106 46 D CA -0.965 52.925 54.000 -0.184 0.000 0.905 46 D CB 0.433 41.241 40.800 0.013 0.000 1.202 46 D HN 0.300 nan 8.370 nan 0.000 0.426 47 P HA 0.094 nan 4.420 nan 0.000 0.264 47 P C -0.638 176.597 177.300 -0.108 0.000 1.183 47 P CA 0.026 62.962 63.100 -0.273 0.000 0.763 47 P CB 0.471 31.929 31.700 -0.403 0.000 0.807 48 A N 3.328 126.104 122.820 -0.074 0.000 2.386 48 A HA 0.236 4.545 4.320 -0.018 0.000 0.246 48 A C 0.488 178.051 177.584 -0.034 0.000 1.089 48 A CA -0.101 51.918 52.037 -0.029 0.000 0.790 48 A CB 0.018 19.004 19.000 -0.022 0.000 1.042 48 A HN 0.430 nan 8.150 nan 0.000 0.497 49 R N -0.027 120.445 120.500 -0.047 0.000 2.404 49 R HA 0.422 4.752 4.340 -0.018 0.000 0.315 49 R C 0.911 177.172 176.300 -0.065 0.000 1.032 49 R CA 1.310 57.336 56.100 -0.122 0.000 0.992 49 R CB -0.123 30.062 30.300 -0.191 0.000 0.959 49 R HN 1.537 nan 8.270 nan 0.000 0.428 50 G N 1.705 110.480 108.800 -0.043 0.000 2.456 50 G HA2 0.293 4.242 3.960 -0.018 0.000 0.208 50 G HA3 0.293 4.242 3.960 -0.018 0.000 0.208 50 G C 0.066 174.970 174.900 0.007 0.000 1.004 50 G CA -0.198 44.894 45.100 -0.014 0.000 0.791 50 G HN 1.120 nan 8.290 nan 0.000 0.537 51 A N -1.508 121.326 122.820 0.023 0.000 6.365 51 A HA 0.448 4.757 4.320 -0.018 0.000 0.240 51 A C 1.105 178.697 177.584 0.013 0.000 2.238 51 A CA 0.913 52.972 52.037 0.037 0.000 0.699 51 A CB -1.084 17.939 19.000 0.039 0.000 0.959 51 A HN 2.237 nan 8.150 nan 0.000 0.362 52 G N -1.501 107.308 108.800 0.014 0.000 2.350 52 G HA2 0.546 4.495 3.960 -0.018 0.000 0.306 52 G HA3 0.546 4.495 3.960 -0.018 0.000 0.306 52 G C 0.808 175.707 174.900 -0.002 0.000 1.094 52 G CA 0.875 45.973 45.100 -0.003 0.000 0.953 52 G HN 1.459 nan 8.290 nan 0.000 0.420 53 S N 1.735 117.430 115.700 -0.008 0.000 2.400 53 S HA -0.046 4.413 4.470 -0.018 0.000 0.232 53 S C 1.060 175.658 174.600 -0.005 0.000 1.025 53 S CA 1.653 59.850 58.200 -0.005 0.000 0.993 53 S CB 0.139 63.334 63.200 -0.008 0.000 0.808 53 S HN 0.827 nan 8.310 nan 0.000 0.478 54 E N -1.573 118.622 120.200 -0.008 0.000 1.660 54 E HA 0.522 4.861 4.350 -0.018 0.000 0.118 54 E C -1.107 175.487 176.600 -0.011 0.000 2.163 54 E CA -0.038 56.358 56.400 -0.007 0.000 1.272 54 E CB -0.151 29.545 29.700 -0.006 0.000 1.359 54 E HN 0.137 nan 8.360 nan 0.000 0.801 55 A N 1.377 124.190 122.820 -0.011 0.000 2.475 55 A HA 0.172 4.481 4.320 -0.018 0.000 0.239 55 A C 0.164 177.733 177.584 -0.025 0.000 1.087 55 A CA 0.474 52.502 52.037 -0.015 0.000 0.779 55 A CB -0.027 18.966 19.000 -0.011 0.000 1.036 55 A HN 0.406 nan 8.150 nan 0.000 0.506 56 E N 0.896 121.076 120.200 -0.034 0.000 2.383 56 E HA 0.121 4.460 4.350 -0.018 0.000 0.264 56 E C -1.306 175.267 176.600 -0.047 0.000 1.050 56 E CA -0.173 56.193 56.400 -0.057 0.000 0.896 56 E CB 1.036 30.688 29.700 -0.080 0.000 0.982 56 E HN 0.461 nan 8.360 nan 0.000 0.424 57 D N 3.256 123.621 120.400 -0.060 0.000 2.462 57 D HA 0.134 4.763 4.640 -0.018 0.000 0.249 57 D C -0.764 175.503 176.300 -0.054 0.000 1.117 57 D CA -0.621 53.356 54.000 -0.039 0.000 0.900 57 D CB 0.245 41.026 40.800 -0.032 0.000 1.039 57 D HN 0.181 nan 8.370 nan 0.000 0.516 58 R N 3.451 123.934 120.500 -0.028 0.000 2.345 58 R HA 0.269 4.598 4.340 -0.018 0.000 0.331 58 R C 0.286 176.620 176.300 0.056 0.000 1.067 58 R CA -0.057 56.027 56.100 -0.027 0.000 0.962 58 R CB 0.287 30.626 30.300 0.063 0.000 0.987 58 R HN 0.379 nan 8.270 nan 0.000 0.451 59 R N 2.169 122.642 120.500 -0.045 0.000 2.668 59 R HA 0.506 4.836 4.340 -0.018 0.000 0.279 59 R C -0.623 175.649 176.300 -0.048 0.000 0.976 59 R CA -0.583 55.542 56.100 0.042 0.000 0.978 59 R CB 1.284 31.579 30.300 -0.008 0.000 1.133 59 R HN 0.240 nan 8.270 nan 0.000 0.484 60 F N 0.495 120.427 119.950 -0.031 0.000 2.547 60 F HA 0.418 4.934 4.527 -0.018 0.000 0.316 60 F C 0.227 176.014 175.800 -0.021 0.000 1.121 60 F CA -0.777 57.197 58.000 -0.043 0.000 0.911 60 F CB 1.920 40.883 39.000 -0.060 0.000 1.179 60 F HN 0.204 nan 8.300 nan 0.000 0.443 61 R N 2.256 122.835 120.500 0.133 0.000 2.368 61 R HA 0.857 5.186 4.340 -0.018 0.000 0.302 61 R C -1.704 174.638 176.300 0.069 0.000 1.002 61 R CA -0.461 55.720 56.100 0.136 0.000 0.929 61 R CB 1.284 31.682 30.300 0.163 0.000 1.073 61 R HN 0.543 nan 8.270 nan 0.000 0.464 62 V N 4.584 124.586 119.914 0.147 0.000 2.841 62 V HA 0.482 4.591 4.120 -0.018 0.000 0.310 62 V C -1.159 175.190 176.094 0.425 0.000 1.090 62 V CA -0.841 61.530 62.300 0.119 0.000 0.930 62 V CB 1.965 33.841 31.823 0.087 0.000 1.014 62 V HN 0.566 nan 8.190 nan 0.000 0.425 63 F N 3.957 124.041 119.950 0.223 0.000 2.426 63 F HA 0.628 5.144 4.527 -0.018 0.000 0.348 63 F C 0.095 175.977 175.800 0.137 0.000 1.124 63 F CA -1.759 56.377 58.000 0.227 0.000 1.008 63 F CB 1.396 40.587 39.000 0.317 0.000 1.139 63 F HN 0.224 nan 8.300 nan 0.000 0.452 64 I N 3.999 124.732 120.570 0.272 0.000 2.330 64 I HA 0.190 4.350 4.170 -0.018 0.000 0.289 64 I C -0.291 175.904 176.117 0.130 0.000 1.001 64 I CA -0.713 60.682 61.300 0.159 0.000 1.193 64 I CB 1.220 39.278 38.000 0.097 0.000 1.345 64 I HN 0.497 nan 8.210 nan 0.000 0.461 65 H N 6.082 125.173 119.070 0.035 0.000 2.487 65 H HA 0.263 4.808 4.556 -0.018 0.000 0.333 65 H C -0.963 174.359 175.328 -0.009 0.000 1.114 65 H CA -0.284 55.762 56.048 -0.004 0.000 1.310 65 H CB 1.244 30.999 29.762 -0.012 0.000 1.462 65 H HN 0.521 nan 8.280 nan 0.000 0.516 66 D N 4.641 124.626 120.400 -0.692 0.000 2.414 66 D HA 0.075 4.705 4.640 -0.018 0.000 0.232 66 D C 1.160 177.054 176.300 -0.678 0.000 1.070 66 D CA -0.427 53.281 54.000 -0.487 0.000 0.839 66 D CB 1.346 41.995 40.800 -0.253 0.000 1.079 66 D HN 0.537 nan 8.370 nan 0.000 0.521 67 V N 2.122 121.796 119.914 -0.401 0.000 3.078 67 V HA -0.099 4.011 4.120 -0.018 0.000 0.265 67 V C 1.626 177.661 176.094 -0.099 0.000 1.122 67 V CA 1.678 63.867 62.300 -0.185 0.000 1.141 67 V CB -0.706 31.107 31.823 -0.017 0.000 0.735 67 V HN 0.500 nan 8.190 nan 0.000 0.498 68 S N -0.392 115.241 115.700 -0.111 0.000 2.575 68 S HA 0.463 4.922 4.470 -0.018 0.000 0.215 68 S C 1.647 176.206 174.600 -0.068 0.000 0.966 68 S CA 0.642 58.803 58.200 -0.066 0.000 0.911 68 S CB 0.173 63.342 63.200 -0.052 0.000 0.780 68 S HN 1.736 nan 8.310 nan 0.000 0.514 69 G N 0.523 109.265 108.800 -0.097 0.000 2.176 69 G HA2 -0.101 3.849 3.960 -0.018 0.000 0.232 69 G HA3 -0.101 3.849 3.960 -0.018 0.000 0.232 69 G C 0.323 175.177 174.900 -0.077 0.000 0.986 69 G CA -0.137 44.921 45.100 -0.070 0.000 0.643 69 G HN 1.263 nan 8.290 nan 0.000 0.522 70 A N 0.217 122.980 122.820 -0.095 0.000 2.425 70 A HA 0.688 4.998 4.320 -0.018 0.000 0.242 70 A C 0.881 178.410 177.584 -0.092 0.000 1.077 70 A CA 0.231 52.219 52.037 -0.082 0.000 0.781 70 A CB 0.199 19.153 19.000 -0.077 0.000 1.020 70 A HN 0.598 nan 8.150 nan 0.000 0.494 71 R N 1.572 122.025 120.500 -0.078 0.000 2.585 71 R HA 0.183 4.512 4.340 -0.018 0.000 0.275 71 R C -2.058 174.187 176.300 -0.092 0.000 1.018 71 R CA -0.551 55.497 56.100 -0.087 0.000 1.072 71 R CB 0.000 30.249 30.300 -0.085 0.000 0.953 71 R HN 0.603 nan 8.270 nan 0.000 0.419 72 P HA 0.077 nan 4.420 nan 0.000 0.279 72 P C -1.110 176.134 177.300 -0.094 0.000 1.282 72 P CA -0.416 62.634 63.100 -0.083 0.000 0.788 72 P CB 0.867 32.528 31.700 -0.066 0.000 1.139 73 Q N -1.073 118.700 119.800 -0.044 0.000 2.389 73 Q HA 0.369 4.698 4.340 -0.018 0.000 0.277 73 Q C -0.929 175.107 176.000 0.060 0.000 1.082 73 Q CA -0.662 55.130 55.803 -0.017 0.000 0.810 73 Q CB 2.598 31.344 28.738 0.014 0.000 1.374 73 Q HN 0.432 nan 8.270 nan 0.000 0.422 74 E N 1.780 122.027 120.200 0.079 0.000 2.133 74 E HA 0.494 4.834 4.350 -0.018 0.000 0.274 74 E C -1.515 175.208 176.600 0.205 0.000 0.930 74 E CA -0.531 56.012 56.400 0.238 0.000 0.770 74 E CB 1.262 31.097 29.700 0.225 0.000 1.104 74 E HN 0.311 nan 8.360 nan 0.000 0.403 75 V N 3.434 123.492 119.914 0.240 0.000 2.709 75 V HA 0.369 4.478 4.120 -0.018 0.000 0.308 75 V C -0.349 175.842 176.094 0.161 0.000 1.062 75 V CA -0.818 61.577 62.300 0.159 0.000 0.901 75 V CB 2.244 34.138 31.823 0.118 0.000 1.003 75 V HN 0.709 nan 8.190 nan 0.000 0.425 76 T N 3.972 118.600 114.554 0.123 0.000 2.779 76 T HA 0.634 4.973 4.350 -0.018 0.000 0.280 76 T C -0.341 174.414 174.700 0.092 0.000 0.987 76 T CA -0.379 61.790 62.100 0.114 0.000 0.966 76 T CB 1.498 70.422 68.868 0.093 0.000 0.933 76 T HN 0.809 nan 8.240 nan 0.000 0.442 77 V N 0.998 120.976 119.914 0.107 0.000 2.919 77 V HA 0.911 5.020 4.120 -0.018 0.000 0.316 77 V C -0.156 176.003 176.094 0.107 0.000 1.077 77 V CA -0.861 61.489 62.300 0.083 0.000 0.977 77 V CB 2.168 34.022 31.823 0.052 0.000 1.039 77 V HN 0.759 nan 8.190 nan 0.000 0.441 78 S N 2.513 118.257 115.700 0.073 0.000 2.528 78 S HA 0.302 4.762 4.470 -0.018 0.000 0.303 78 S C 0.549 175.187 174.600 0.065 0.000 1.123 78 S CA 0.097 58.344 58.200 0.077 0.000 1.138 78 S CB 0.892 64.118 63.200 0.042 0.000 0.984 78 S HN 1.336 nan 8.310 nan 0.000 0.474 79 V N 5.331 125.306 119.914 0.101 0.000 2.720 79 V HA -0.091 4.018 4.120 -0.018 0.000 0.256 79 V C 2.024 178.136 176.094 0.031 0.000 1.082 79 V CA 2.726 65.046 62.300 0.034 0.000 1.101 79 V CB -0.831 30.999 31.823 0.012 0.000 0.693 79 V HN 0.971 nan 8.190 nan 0.000 0.479 80 T N 1.076 115.658 114.554 0.047 0.000 2.668 80 T HA -0.108 4.231 4.350 -0.018 0.000 0.262 80 T C 1.573 176.280 174.700 0.013 0.000 1.045 80 T CA 1.832 63.947 62.100 0.025 0.000 1.152 80 T CB -0.314 68.566 68.868 0.019 0.000 0.864 80 T HN 0.532 nan 8.240 nan 0.000 0.419 81 N N 0.444 119.152 118.700 0.014 0.000 2.412 81 N HA 0.137 4.866 4.740 -0.018 0.000 0.184 81 N C 1.323 176.836 175.510 0.005 0.000 1.101 81 N CA 0.666 53.721 53.050 0.008 0.000 0.881 81 N CB 0.089 38.581 38.487 0.008 0.000 0.969 81 N HN 0.541 nan 8.380 nan 0.000 0.459 82 G N 1.364 110.167 108.800 0.004 0.000 2.221 82 G HA2 -0.279 3.670 3.960 -0.018 0.000 0.265 82 G HA3 -0.279 3.670 3.960 -0.018 0.000 0.265 82 G C 0.213 175.113 174.900 0.000 0.000 1.041 82 G CA 1.039 46.137 45.100 -0.003 0.000 0.807 82 G HN 0.523 nan 8.290 nan 0.000 0.502 83 T N -3.643 110.916 114.554 0.008 0.000 2.940 83 T HA 0.734 5.073 4.350 -0.018 0.000 0.288 83 T C -0.328 174.383 174.700 0.018 0.000 1.045 83 T CA -0.696 61.411 62.100 0.011 0.000 1.018 83 T CB 2.916 71.791 68.868 0.012 0.000 1.151 83 T HN 0.714 nan 8.240 nan 0.000 0.529 84 V N 2.878 122.804 119.914 0.019 0.000 2.357 84 V HA 0.246 4.355 4.120 -0.018 0.000 0.284 84 V C 0.964 177.075 176.094 0.028 0.000 1.018 84 V CA -0.788 61.529 62.300 0.027 0.000 0.841 84 V CB 0.871 32.709 31.823 0.024 0.000 0.991 84 V HN 0.821 nan 8.190 nan 0.000 0.437 85 I N 3.046 123.637 120.570 0.036 0.000 2.286 85 I HA 0.015 4.174 4.170 -0.018 0.000 0.245 85 I C 1.037 177.173 176.117 0.033 0.000 1.104 85 I CA 1.165 62.484 61.300 0.032 0.000 1.397 85 I CB -0.501 37.521 38.000 0.036 0.000 1.072 85 I HN 0.780 nan 8.210 nan 0.000 0.417 86 S N -0.540 115.186 115.700 0.043 0.000 2.587 86 S HA 0.791 5.251 4.470 -0.018 0.000 0.269 86 S C -0.969 173.663 174.600 0.053 0.000 1.154 86 S CA -0.394 57.831 58.200 0.042 0.000 0.824 86 S CB 2.438 65.665 63.200 0.045 0.000 1.118 86 S HN 0.338 nan 8.310 nan 0.000 0.462 87 A N 0.945 123.793 122.820 0.045 0.000 2.626 87 A HA 0.615 4.924 4.320 -0.018 0.000 0.293 87 A C -0.562 177.041 177.584 0.032 0.000 1.111 87 A CA -0.280 51.786 52.037 0.048 0.000 0.874 87 A CB 0.331 19.354 19.000 0.038 0.000 1.451 87 A HN 2.059 nan 8.150 nan 0.000 0.396 88 V N -0.225 119.710 119.914 0.034 0.000 2.547 88 V HA 0.728 4.837 4.120 -0.018 0.000 0.299 88 V C 0.074 176.157 176.094 -0.018 0.000 1.040 88 V CA -0.757 61.548 62.300 0.008 0.000 0.913 88 V CB 1.551 33.380 31.823 0.010 0.000 0.992 88 V HN 0.836 nan 8.190 nan 0.000 0.449 89 E N 2.576 122.754 120.200 -0.037 0.000 2.331 89 E HA 0.571 4.910 4.350 -0.018 0.000 0.272 89 E C -1.185 175.352 176.600 -0.105 0.000 1.036 89 E CA -0.614 55.747 56.400 -0.065 0.000 0.864 89 E CB 1.303 30.970 29.700 -0.055 0.000 1.035 89 E HN 0.736 nan 8.360 nan 0.000 0.408 90 L N 2.904 124.030 121.223 -0.163 0.000 2.325 90 L HA 0.311 4.640 4.340 -0.018 0.000 0.278 90 L C -0.035 176.707 176.870 -0.213 0.000 1.023 90 L CA -0.710 53.984 54.840 -0.243 0.000 0.811 90 L CB 1.442 43.231 42.059 -0.450 0.000 1.249 90 L HN 0.483 nan 8.230 nan 0.000 0.431 91 D N 1.107 121.387 120.400 -0.199 0.000 2.518 91 D HA 0.045 4.675 4.640 -0.018 0.000 0.230 91 D C 1.312 177.494 176.300 -0.196 0.000 1.138 91 D CA -0.133 53.774 54.000 -0.156 0.000 0.964 91 D CB 1.094 41.828 40.800 -0.109 0.000 1.011 91 D HN 0.726 nan 8.370 nan 0.000 0.517 92 T N 0.152 114.572 114.554 -0.224 0.000 2.822 92 T HA -0.193 4.146 4.350 -0.018 0.000 0.270 92 T C 1.810 176.414 174.700 -0.160 0.000 1.064 92 T CA 1.156 63.108 62.100 -0.246 0.000 1.131 92 T CB -0.063 68.669 68.868 -0.227 0.000 0.858 92 T HN 0.231 nan 8.240 nan 0.000 0.483 93 A N 1.022 123.777 122.820 -0.108 0.000 2.067 93 A HA 0.493 4.802 4.320 -0.018 0.000 0.219 93 A C 2.602 180.162 177.584 -0.041 0.000 1.158 93 A CA 1.474 53.474 52.037 -0.062 0.000 0.661 93 A CB -0.974 17.997 19.000 -0.049 0.000 0.801 93 A HN 0.777 nan 8.150 nan 0.000 0.452 94 A N -0.639 122.140 122.820 -0.068 0.000 1.884 94 A HA 0.109 4.419 4.320 -0.018 0.000 0.212 94 A C 2.265 179.814 177.584 -0.058 0.000 1.265 94 A CA 1.786 53.799 52.037 -0.040 0.000 0.626 94 A CB -0.974 17.995 19.000 -0.053 0.000 0.943 94 A HN 0.654 nan 8.150 nan 0.000 0.466 95 T N -3.214 111.226 114.554 -0.190 0.000 3.100 95 T HA 0.457 4.796 4.350 -0.018 0.000 0.253 95 T C 0.895 175.195 174.700 -0.667 0.000 1.118 95 T CA 0.940 62.830 62.100 -0.349 0.000 1.058 95 T CB -0.252 68.490 68.868 -0.209 0.000 0.953 95 T HN 1.974 nan 8.240 nan 0.000 0.515 96 G N 0.806 109.326 108.800 -0.467 0.000 2.617 96 G HA2 0.071 4.021 3.960 -0.018 0.000 0.686 96 G HA3 0.071 4.021 3.960 -0.018 0.000 0.686 96 G C -1.106 173.619 174.900 -0.292 0.000 1.214 96 G CA -1.055 43.851 45.100 -0.323 0.000 0.796 96 G HN 0.239 nan 8.290 nan 0.000 0.654 97 E N 0.047 120.153 120.200 -0.157 0.000 2.371 97 E HA 0.478 4.817 4.350 -0.018 0.000 0.257 97 E C 1.122 177.656 176.600 -0.110 0.000 1.134 97 E CA -0.456 55.845 56.400 -0.165 0.000 0.919 97 E CB 0.834 30.467 29.700 -0.113 0.000 1.025 97 E HN 0.495 nan 8.360 nan 0.000 0.438 98 L N 1.677 122.831 121.223 -0.115 0.000 2.466 98 L HA 0.234 4.564 4.340 -0.018 0.000 0.257 98 L C -1.945 174.939 176.870 0.023 0.000 1.189 98 L CA -1.811 53.040 54.840 0.018 0.000 0.813 98 L CB -0.135 41.938 42.059 0.023 0.000 1.118 98 L HN 0.124 nan 8.230 nan 0.000 0.471 99 P HA -0.036 nan 4.420 nan 0.000 0.266 99 P C -0.607 176.658 177.300 -0.057 0.000 1.193 99 P CA -0.160 62.977 63.100 0.063 0.000 0.770 99 P CB 0.405 32.192 31.700 0.145 0.000 0.836 100 V N 3.885 123.717 119.914 -0.138 0.000 2.655 100 V HA 0.007 4.116 4.120 -0.018 0.000 0.300 100 V C 0.822 176.762 176.094 -0.257 0.000 1.044 100 V CA 0.190 62.280 62.300 -0.350 0.000 1.095 100 V CB -0.179 31.236 31.823 -0.679 0.000 0.952 100 V HN 0.331 nan 8.190 nan 0.000 0.485 101 L N 3.295 124.325 121.223 -0.321 0.000 2.379 101 L HA 0.344 4.673 4.340 -0.018 0.000 0.269 101 L C 1.526 178.349 176.870 -0.078 0.000 1.084 101 L CA -0.172 54.580 54.840 -0.146 0.000 0.802 101 L CB 0.767 42.732 42.059 -0.156 0.000 1.175 101 L HN 0.671 nan 8.230 nan 0.000 0.448 102 E N 0.959 121.248 120.200 0.148 0.000 2.058 102 E HA -0.257 4.082 4.350 -0.018 0.000 0.194 102 E C 1.642 178.367 176.600 0.208 0.000 0.997 102 E CA 1.780 58.379 56.400 0.332 0.000 0.801 102 E CB 0.063 29.934 29.700 0.285 0.000 0.746 102 E HN 0.752 nan 8.360 nan 0.000 0.450 103 E N 0.922 121.176 120.200 0.091 0.000 2.267 103 E HA -0.228 4.112 4.350 -0.018 0.000 0.197 103 E C 1.387 178.006 176.600 0.033 0.000 0.998 103 E CA 1.146 57.591 56.400 0.075 0.000 0.830 103 E CB -0.174 29.562 29.700 0.061 0.000 0.751 103 E HN 0.360 nan 8.360 nan 0.000 0.491 104 E N -0.313 119.848 120.200 -0.065 0.000 2.318 104 E HA -0.014 4.326 4.350 -0.018 0.000 0.193 104 E C 1.392 177.924 176.600 -0.114 0.000 0.998 104 E CA 0.261 56.574 56.400 -0.144 0.000 0.859 104 E CB -0.043 29.480 29.700 -0.295 0.000 0.812 104 E HN 0.246 nan 8.360 nan 0.000 0.492 105 F N 1.910 121.881 119.950 0.034 0.000 2.163 105 F HA -0.044 4.472 4.527 -0.018 0.000 0.297 105 F C 1.963 177.796 175.800 0.055 0.000 1.094 105 F CA 1.001 59.033 58.000 0.053 0.000 1.290 105 F CB -0.165 38.891 39.000 0.093 0.000 1.017 105 F HN -0.043 nan 8.300 nan 0.000 0.483 106 E N -0.451 119.897 120.200 0.247 0.000 2.409 106 E HA -0.101 4.238 4.350 -0.018 0.000 0.198 106 E C 2.198 178.856 176.600 0.096 0.000 1.024 106 E CA 0.674 57.169 56.400 0.158 0.000 0.861 106 E CB -0.176 29.609 29.700 0.142 0.000 0.788 106 E HN 0.210 nan 8.360 nan 0.000 0.521 107 V N 0.642 120.599 119.914 0.071 0.000 2.591 107 V HA -0.173 3.936 4.120 -0.018 0.000 0.249 107 V C 2.190 178.283 176.094 -0.001 0.000 1.053 107 V CA 0.915 63.230 62.300 0.025 0.000 1.068 107 V CB 0.084 31.907 31.823 0.001 0.000 0.689 107 V HN 0.144 nan 8.190 nan 0.000 0.462 108 V N 0.041 119.962 119.914 0.012 0.000 2.287 108 V HA -0.311 3.798 4.120 -0.018 0.000 0.248 108 V C 2.369 178.407 176.094 -0.092 0.000 1.053 108 V CA 2.472 64.748 62.300 -0.040 0.000 1.027 108 V CB -0.569 31.260 31.823 0.010 0.000 0.646 108 V HN 0.643 nan 8.190 nan 0.000 0.447 109 E N 0.322 120.508 120.200 -0.024 0.000 2.047 109 E HA -0.275 4.064 4.350 -0.018 0.000 0.191 109 E C 2.387 178.965 176.600 -0.037 0.000 0.987 109 E CA 1.405 57.789 56.400 -0.027 0.000 0.799 109 E CB -0.085 29.644 29.700 0.048 0.000 0.752 109 E HN 0.856 nan 8.360 nan 0.000 0.449 110 Q N 0.345 120.139 119.800 -0.009 0.000 2.096 110 Q HA -0.188 4.142 4.340 -0.018 0.000 0.204 110 Q C 2.278 178.258 176.000 -0.033 0.000 0.982 110 Q CA 1.557 57.359 55.803 -0.002 0.000 0.850 110 Q CB -0.466 28.280 28.738 0.014 0.000 0.901 110 Q HN 0.314 nan 8.270 nan 0.000 0.422 111 L N 0.259 121.443 121.223 -0.065 0.000 2.093 111 L HA -0.108 4.221 4.340 -0.018 0.000 0.208 111 L C 2.443 179.228 176.870 -0.142 0.000 1.085 111 L CA 0.825 55.614 54.840 -0.086 0.000 0.755 111 L CB -0.369 41.634 42.059 -0.093 0.000 0.904 111 L HN 0.262 nan 8.230 nan 0.000 0.435 112 L N -0.248 120.816 121.223 -0.265 0.000 2.217 112 L HA -0.070 4.259 4.340 -0.018 0.000 0.211 112 L C 2.713 179.459 176.870 -0.206 0.000 1.107 112 L CA 0.655 55.195 54.840 -0.501 0.000 0.783 112 L CB -0.580 40.758 42.059 -1.202 0.000 0.919 112 L HN 0.190 nan 8.230 nan 0.000 0.442 113 A N -0.271 122.525 122.820 -0.040 0.000 2.178 113 A HA -0.131 4.178 4.320 -0.018 0.000 0.218 113 A C 1.968 179.614 177.584 0.104 0.000 1.157 113 A CA 1.831 53.939 52.037 0.119 0.000 0.689 113 A CB -0.655 18.397 19.000 0.087 0.000 0.787 113 A HN 0.496 nan 8.150 nan 0.000 0.465 114 T N -3.753 110.834 114.554 0.054 0.000 3.091 114 T HA 0.268 4.607 4.350 -0.018 0.000 0.277 114 T C -0.173 174.556 174.700 0.047 0.000 0.996 114 T CA 0.157 62.287 62.100 0.048 0.000 0.897 114 T CB -0.291 68.591 68.868 0.024 0.000 1.109 114 T HN 0.288 nan 8.240 nan 0.000 0.534 115 D N 1.870 122.306 120.400 0.060 0.000 2.264 115 D HA 0.192 4.821 4.640 -0.018 0.000 0.250 115 D C 1.423 177.790 176.300 0.112 0.000 1.113 115 D CA -0.489 53.547 54.000 0.060 0.000 0.871 115 D CB 1.300 42.117 40.800 0.029 0.000 1.167 115 D HN 0.441 nan 8.370 nan 0.000 0.447 116 E N 3.862 124.107 120.200 0.074 0.000 2.208 116 E HA -0.203 4.136 4.350 -0.018 0.000 0.193 116 E C 1.531 178.177 176.600 0.077 0.000 0.988 116 E CA 0.367 56.808 56.400 0.068 0.000 0.828 116 E CB -0.051 29.672 29.700 0.038 0.000 0.763 116 E HN 0.524 nan 8.360 nan 0.000 0.478 117 R N 0.233 120.785 120.500 0.087 0.000 2.236 117 R HA -0.046 4.284 4.340 -0.018 0.000 0.208 117 R C 1.890 178.278 176.300 0.146 0.000 1.036 117 R CA 0.678 56.827 56.100 0.081 0.000 1.001 117 R CB -0.601 29.730 30.300 0.051 0.000 0.896 117 R HN 0.436 nan 8.270 nan 0.000 0.464 118 W N 1.949 123.229 121.300 -0.034 0.000 2.444 118 W HA -0.022 4.627 4.660 -0.018 0.000 0.308 118 W C 1.573 178.078 176.519 -0.024 0.000 1.183 118 W CA 0.523 57.849 57.345 -0.032 0.000 1.340 118 W CB -0.128 29.316 29.460 -0.027 0.000 1.138 118 W HN 0.012 nan 8.180 nan 0.000 0.510 119 L N 1.129 122.457 121.223 0.175 0.000 2.081 119 L HA -0.296 4.033 4.340 -0.018 0.000 0.212 119 L C 2.626 179.471 176.870 -0.042 0.000 1.080 119 L CA 1.814 56.677 54.840 0.037 0.000 0.754 119 L CB -0.897 41.206 42.059 0.074 0.000 0.893 119 L HN -0.019 nan 8.230 nan 0.000 0.433 120 K N 0.111 120.499 120.400 -0.019 0.000 2.097 120 K HA -0.175 4.135 4.320 -0.018 0.000 0.206 120 K C 2.140 178.686 176.600 -0.090 0.000 1.049 120 K CA 1.243 57.506 56.287 -0.040 0.000 0.933 120 K CB -0.041 32.449 32.500 -0.016 0.000 0.717 120 K HN 0.288 nan 8.250 nan 0.000 0.442 121 A N 1.190 123.927 122.820 -0.139 0.000 1.898 121 A HA -0.094 4.215 4.320 -0.018 0.000 0.216 121 A C 2.058 179.481 177.584 -0.268 0.000 1.181 121 A CA 1.095 53.006 52.037 -0.211 0.000 0.620 121 A CB -0.496 18.328 19.000 -0.293 0.000 0.819 121 A HN 0.281 nan 8.150 nan 0.000 0.442 122 L N -0.883 120.136 121.223 -0.340 0.000 2.056 122 L HA -0.156 4.173 4.340 -0.018 0.000 0.207 122 L C 3.073 179.844 176.870 -0.165 0.000 1.078 122 L CA 1.026 55.689 54.840 -0.295 0.000 0.749 122 L CB -0.660 41.209 42.059 -0.315 0.000 0.901 122 L HN 0.435 nan 8.230 nan 0.000 0.433 123 A N 0.310 123.056 122.820 -0.123 0.000 1.933 123 A HA -0.125 4.184 4.320 -0.018 0.000 0.218 123 A C 2.480 180.019 177.584 -0.075 0.000 1.175 123 A CA 1.568 53.558 52.037 -0.078 0.000 0.628 123 A CB -0.582 18.385 19.000 -0.056 0.000 0.814 123 A HN 0.390 nan 8.150 nan 0.000 0.444 124 A N -0.650 122.119 122.820 -0.086 0.000 2.121 124 A HA -0.057 4.252 4.320 -0.018 0.000 0.218 124 A C 2.006 179.546 177.584 -0.074 0.000 1.154 124 A CA 1.286 53.278 52.037 -0.074 0.000 0.679 124 A CB -0.273 18.682 19.000 -0.076 0.000 0.795 124 A HN 0.548 nan 8.150 nan 0.000 0.458 125 R N -1.076 119.370 120.500 -0.089 0.000 2.472 125 R HA 0.136 4.465 4.340 -0.018 0.000 0.279 125 R C -0.258 176.001 176.300 -0.069 0.000 0.953 125 R CA 0.053 56.105 56.100 -0.079 0.000 1.088 125 R CB 0.302 30.542 30.300 -0.101 0.000 1.197 125 R HN 0.399 nan 8.270 nan 0.000 0.536 126 N N 0.937 119.597 118.700 -0.066 0.000 2.747 126 N HA -0.179 4.550 4.740 -0.018 0.000 0.249 126 N C -0.852 174.624 175.510 -0.057 0.000 1.107 126 N CA 0.943 53.961 53.050 -0.053 0.000 0.707 126 N CB -1.419 37.044 38.487 -0.040 0.000 1.054 126 N HN 0.282 nan 8.380 nan 0.000 0.555 127 L N 0.339 121.515 121.223 -0.077 0.000 2.312 127 L HA 0.307 4.636 4.340 -0.018 0.000 0.281 127 L C 0.799 177.633 176.870 -0.061 0.000 1.070 127 L CA -0.709 54.084 54.840 -0.078 0.000 0.805 127 L CB 1.023 43.014 42.059 -0.113 0.000 1.174 127 L HN -0.076 nan 8.230 nan 0.000 0.434 128 D N 2.091 122.467 120.400 -0.039 0.000 2.325 128 D HA 0.015 4.644 4.640 -0.018 0.000 0.251 128 D C 0.784 177.081 176.300 -0.005 0.000 1.196 128 D CA -0.043 53.947 54.000 -0.017 0.000 0.866 128 D CB 1.849 42.645 40.800 -0.007 0.000 1.101 128 D HN 0.296 nan 8.370 nan 0.000 0.476 129 V N 4.055 123.974 119.914 0.009 0.000 2.453 129 V HA -0.262 3.848 4.120 -0.018 0.000 0.252 129 V C 2.032 178.167 176.094 0.068 0.000 1.068 129 V CA 2.923 65.254 62.300 0.053 0.000 1.070 129 V CB -0.502 31.373 31.823 0.087 0.000 0.664 129 V HN 0.727 nan 8.190 nan 0.000 0.461 130 S N -1.252 114.476 115.700 0.046 0.000 2.507 130 S HA -0.085 4.374 4.470 -0.018 0.000 0.235 130 S C 1.633 176.257 174.600 0.039 0.000 0.988 130 S CA 1.104 59.332 58.200 0.046 0.000 0.944 130 S CB -0.338 62.883 63.200 0.036 0.000 0.762 130 S HN 0.753 nan 8.310 nan 0.000 0.526 131 K N 0.579 120.996 120.400 0.029 0.000 2.387 131 K HA 0.319 4.628 4.320 -0.018 0.000 0.203 131 K C -0.838 175.772 176.600 0.016 0.000 1.030 131 K CA -0.086 56.209 56.287 0.014 0.000 1.099 131 K CB 1.213 33.712 32.500 -0.003 0.000 0.863 131 K HN 0.190 nan 8.250 nan 0.000 0.529 132 V N 3.492 123.434 119.914 0.047 0.000 2.334 132 V HA 0.208 4.317 4.120 -0.018 0.000 0.267 132 V C 0.165 176.331 176.094 0.119 0.000 1.040 132 V CA -0.716 61.628 62.300 0.074 0.000 0.866 132 V CB 0.634 32.512 31.823 0.091 0.000 1.019 132 V HN 0.169 nan 8.190 nan 0.000 0.468 133 R N 3.336 123.889 120.500 0.089 0.000 2.459 133 R HA 0.631 4.960 4.340 -0.018 0.000 0.281 133 R C -0.735 175.670 176.300 0.175 0.000 1.050 133 R CA -0.457 55.693 56.100 0.084 0.000 1.055 133 R CB 1.815 32.101 30.300 -0.022 0.000 1.045 133 R HN 0.432 nan 8.270 nan 0.000 0.495 134 V N 1.323 121.344 119.914 0.178 0.000 2.540 134 V HA 0.440 4.549 4.120 -0.018 0.000 0.302 134 V C -0.179 176.066 176.094 0.253 0.000 1.035 134 V CA -1.090 61.359 62.300 0.247 0.000 0.873 134 V CB 1.859 33.783 31.823 0.168 0.000 0.992 134 V HN 0.854 nan 8.190 nan 0.000 0.428 135 A N 7.232 130.284 122.820 0.386 0.000 2.316 135 A HA 0.698 5.007 4.320 -0.018 0.000 0.311 135 A C -2.396 175.433 177.584 0.409 0.000 1.339 135 A CA -1.475 50.818 52.037 0.427 0.000 0.960 135 A CB 0.217 19.626 19.000 0.682 0.000 1.152 135 A HN 0.564 nan 8.150 nan 0.000 0.547 136 P HA 0.384 nan 4.420 nan 0.000 0.284 136 P C -0.887 176.688 177.300 0.458 0.000 1.343 136 P CA 0.165 63.484 63.100 0.365 0.000 0.826 136 P CB 0.662 32.619 31.700 0.429 0.000 0.956 137 L N 2.291 123.755 121.223 0.403 0.000 2.333 137 L HA 0.442 4.771 4.340 -0.018 0.000 0.269 137 L C 0.917 177.973 176.870 0.310 0.000 1.010 137 L CA -1.066 54.030 54.840 0.426 0.000 0.818 137 L CB 1.689 43.962 42.059 0.358 0.000 1.306 137 L HN 0.280 nan 8.230 nan 0.000 0.430 138 S N 0.431 116.319 115.700 0.314 0.000 2.558 138 S HA 0.109 4.568 4.470 -0.018 0.000 0.291 138 S C 0.949 175.667 174.600 0.196 0.000 1.306 138 S CA -0.063 58.244 58.200 0.179 0.000 1.056 138 S CB 1.232 64.584 63.200 0.254 0.000 0.836 138 S HN 0.756 nan 8.310 nan 0.000 0.504 139 A N 3.536 126.389 122.820 0.056 0.000 1.970 139 A HA 0.498 4.808 4.320 -0.018 0.000 0.216 139 A C 1.606 179.314 177.584 0.207 0.000 1.170 139 A CA 0.788 52.811 52.037 -0.024 0.000 0.645 139 A CB -1.549 17.348 19.000 -0.171 0.000 0.816 139 A HN 2.326 nan 8.150 nan 0.000 0.447 140 G N -1.963 106.950 108.800 0.187 0.000 2.645 140 G HA2 -0.058 3.892 3.960 -0.018 0.000 0.239 140 G HA3 -0.058 3.892 3.960 -0.018 0.000 0.239 140 G C -0.386 174.489 174.900 -0.042 0.000 1.331 140 G CA -0.234 44.960 45.100 0.156 0.000 0.890 140 G HN 1.161 nan 8.290 nan 0.000 0.572 141 V N 0.865 120.544 119.914 -0.392 0.000 2.447 141 V HA 0.730 4.839 4.120 -0.018 0.000 0.292 141 V C -0.212 175.403 176.094 -0.798 0.000 1.021 141 V CA -0.373 61.689 62.300 -0.395 0.000 0.850 141 V CB 0.865 32.514 31.823 -0.290 0.000 1.005 141 V HN 0.699 nan 8.190 nan 0.000 0.426 142 F N 1.647 121.614 119.950 0.028 0.000 3.145 142 F HA 0.465 4.981 4.527 -0.018 0.000 0.324 142 F C 1.507 177.206 175.800 -0.167 0.000 1.467 142 F CA -0.745 57.230 58.000 -0.043 0.000 1.048 142 F CB 0.426 39.426 39.000 0.000 0.000 1.698 142 F HN 0.442 nan 8.300 nan 0.000 0.427 143 E N 0.608 120.704 120.200 -0.174 0.000 2.463 143 E HA -0.067 4.272 4.350 -0.018 0.000 0.191 143 E C -0.958 175.426 176.600 -0.360 0.000 1.083 143 E CA 0.328 56.559 56.400 -0.282 0.000 0.872 143 E CB -1.024 28.528 29.700 -0.246 0.000 0.966 143 E HN 0.512 nan 8.360 nan 0.000 0.491 144 Y N 1.161 121.506 120.300 0.074 0.000 2.636 144 Y HA 0.416 4.956 4.550 -0.018 0.000 0.341 144 Y C 1.622 177.532 175.900 0.018 0.000 1.169 144 Y CA -0.185 57.943 58.100 0.047 0.000 1.498 144 Y CB 0.495 38.971 38.460 0.027 0.000 1.362 144 Y HN 0.092 nan 8.280 nan 0.000 0.494 145 A N 2.106 124.982 122.820 0.092 0.000 1.986 145 A HA -0.224 4.085 4.320 -0.018 0.000 0.220 145 A C 2.212 179.830 177.584 0.057 0.000 1.171 145 A CA 1.836 53.904 52.037 0.052 0.000 0.640 145 A CB -0.271 18.747 19.000 0.029 0.000 0.811 145 A HN 0.729 nan 8.150 nan 0.000 0.451 146 E N 0.598 120.848 120.200 0.083 0.000 2.409 146 E HA -0.190 4.149 4.350 -0.018 0.000 0.198 146 E C 1.204 177.828 176.600 0.041 0.000 1.024 146 E CA 1.348 57.782 56.400 0.056 0.000 0.861 146 E CB -0.395 29.343 29.700 0.062 0.000 0.788 146 E HN 0.772 nan 8.360 nan 0.000 0.521 147 E N 0.753 120.988 120.200 0.058 0.000 2.299 147 E HA 0.024 4.364 4.350 -0.018 0.000 0.193 147 E C 0.220 176.819 176.600 -0.000 0.000 0.998 147 E CA -0.130 56.283 56.400 0.022 0.000 0.851 147 E CB 0.051 29.771 29.700 0.034 0.000 0.795 147 E HN 0.194 nan 8.360 nan 0.000 0.492 148 R N 0.541 121.044 120.500 0.005 0.000 2.483 148 R HA 0.076 4.405 4.340 -0.018 0.000 0.329 148 R C 0.847 177.134 176.300 -0.023 0.000 0.961 148 R CA 0.724 56.817 56.100 -0.012 0.000 1.041 148 R CB -0.019 30.276 30.300 -0.009 0.000 0.930 148 R HN 0.302 nan 8.270 nan 0.000 0.413 149 G N 2.579 111.357 108.800 -0.036 0.000 2.213 149 G HA2 -0.288 3.661 3.960 -0.018 0.000 0.236 149 G HA3 -0.288 3.661 3.960 -0.018 0.000 0.236 149 G C 0.158 175.030 174.900 -0.046 0.000 0.991 149 G CA -0.342 44.730 45.100 -0.047 0.000 0.629 149 G HN 0.523 nan 8.290 nan 0.000 0.517 150 R N -0.038 120.437 120.500 -0.041 0.000 2.598 150 R HA 0.670 4.999 4.340 -0.018 0.000 0.279 150 R C 0.039 176.303 176.300 -0.060 0.000 0.984 150 R CA -0.870 55.205 56.100 -0.042 0.000 0.999 150 R CB 0.974 31.253 30.300 -0.035 0.000 1.114 150 R HN 0.134 nan 8.270 nan 0.000 0.493 151 R N 2.267 122.727 120.500 -0.066 0.000 2.296 151 R HA 0.288 4.617 4.340 -0.018 0.000 0.327 151 R C -0.334 175.901 176.300 -0.108 0.000 1.137 151 R CA -0.249 55.791 56.100 -0.100 0.000 1.020 151 R CB 0.323 30.550 30.300 -0.122 0.000 1.110 151 R HN 0.275 nan 8.270 nan 0.000 0.499 152 I N 4.172 124.673 120.570 -0.114 0.000 2.525 152 I HA 0.409 4.568 4.170 -0.018 0.000 0.301 152 I C 0.107 176.138 176.117 -0.143 0.000 0.992 152 I CA -0.834 60.389 61.300 -0.129 0.000 1.162 152 I CB 1.535 39.444 38.000 -0.151 0.000 1.332 152 I HN 0.471 nan 8.210 nan 0.000 0.458 153 L N 5.328 126.471 121.223 -0.133 0.000 2.410 153 L HA 0.503 4.832 4.340 -0.018 0.000 0.270 153 L C -0.127 176.678 176.870 -0.109 0.000 0.983 153 L CA -0.736 54.047 54.840 -0.094 0.000 0.822 153 L CB 2.369 44.398 42.059 -0.050 0.000 1.285 153 L HN 0.531 nan 8.230 nan 0.000 0.409 154 R N 1.188 121.596 120.500 -0.154 0.000 2.486 154 R HA 0.673 5.002 4.340 -0.018 0.000 0.286 154 R C -0.031 176.289 176.300 0.034 0.000 0.999 154 R CA -0.657 55.320 56.100 -0.205 0.000 0.993 154 R CB 1.779 31.560 30.300 -0.865 0.000 1.084 154 R HN 0.737 nan 8.270 nan 0.000 0.487 155 G N 2.158 111.005 108.800 0.078 0.000 2.513 155 G HA2 0.592 4.541 3.960 -0.018 0.000 0.317 155 G HA3 0.592 4.541 3.960 -0.018 0.000 0.317 155 G C -0.949 174.141 174.900 0.316 0.000 1.277 155 G CA -0.620 44.580 45.100 0.167 0.000 0.955 155 G HN 0.285 nan 8.290 nan 0.000 0.484 156 L N 1.425 122.905 121.223 0.429 0.000 2.362 156 L HA 0.687 5.016 4.340 -0.018 0.000 0.275 156 L C 0.411 177.472 176.870 0.319 0.000 0.998 156 L CA -1.038 54.053 54.840 0.418 0.000 0.820 156 L CB 2.195 44.601 42.059 0.578 0.000 1.270 156 L HN 0.648 nan 8.230 nan 0.000 0.415 157 A N 3.096 125.970 122.820 0.090 0.000 2.304 157 A HA 0.842 5.151 4.320 -0.018 0.000 0.301 157 A C -1.189 176.072 177.584 -0.538 0.000 1.132 157 A CA -0.128 51.906 52.037 -0.005 0.000 0.819 157 A CB 0.457 19.489 19.000 0.054 0.000 1.094 157 A HN 0.510 nan 8.150 nan 0.000 0.492 158 F N 0.901 120.821 119.950 -0.050 0.000 2.574 158 F HA 0.414 4.931 4.527 -0.018 0.000 0.313 158 F C -0.095 175.646 175.800 -0.098 0.000 1.130 158 F CA -0.646 57.272 58.000 -0.136 0.000 0.936 158 F CB 2.237 41.018 39.000 -0.365 0.000 1.219 158 F HN 0.326 nan 8.300 nan 0.000 0.445 159 V N 2.919 122.883 119.914 0.082 0.000 2.546 159 V HA 0.279 4.388 4.120 -0.018 0.000 0.284 159 V C -0.290 175.831 176.094 0.044 0.000 1.050 159 V CA -0.406 61.913 62.300 0.031 0.000 0.981 159 V CB 1.464 33.266 31.823 -0.035 0.000 0.990 159 V HN 0.756 nan 8.190 nan 0.000 0.474 160 Q N 2.634 122.415 119.800 -0.032 0.000 2.454 160 Q HA 0.226 4.555 4.340 -0.018 0.000 0.255 160 Q C -0.059 175.869 176.000 -0.121 0.000 1.034 160 Q CA -0.609 55.139 55.803 -0.091 0.000 0.736 160 Q CB 1.083 29.756 28.738 -0.108 0.000 1.210 160 Q HN 0.784 nan 8.270 nan 0.000 0.500 161 D N 2.809 123.103 120.400 -0.177 0.000 2.221 161 D HA -0.056 4.573 4.640 -0.018 0.000 0.204 161 D C 0.078 176.458 176.300 0.133 0.000 0.982 161 D CA 1.360 55.332 54.000 -0.046 0.000 0.857 161 D CB 0.052 40.873 40.800 0.037 0.000 0.934 161 D HN 0.446 nan 8.370 nan 0.000 0.475 162 F N -5.309 114.637 119.950 -0.007 0.000 2.741 162 F HA 0.373 4.889 4.527 -0.018 0.000 0.311 162 F C -2.468 173.325 175.800 -0.010 0.000 1.149 162 F CA -2.105 55.889 58.000 -0.010 0.000 0.930 162 F CB 0.566 39.558 39.000 -0.014 0.000 1.312 162 F HN -0.414 nan 8.300 nan 0.000 0.450 163 P HA -0.210 nan 4.420 nan 0.000 0.219 163 P C 0.200 177.512 177.300 0.020 0.000 1.161 163 P CA 2.569 65.717 63.100 0.080 0.000 0.909 163 P CB 0.051 31.816 31.700 0.109 0.000 0.793 164 E N -1.217 119.049 120.200 0.109 0.000 2.359 164 E HA 0.123 4.462 4.350 -0.018 0.000 0.187 164 E C -0.129 176.360 176.600 -0.185 0.000 1.081 164 E CA -0.002 56.412 56.400 0.023 0.000 0.929 164 E CB -0.809 28.961 29.700 0.117 0.000 1.086 164 E HN 0.318 nan 8.360 nan 0.000 0.462 165 D N 0.184 120.270 120.400 -0.523 0.000 2.255 165 D HA 0.131 4.760 4.640 -0.018 0.000 0.249 165 D C -0.679 175.405 176.300 -0.361 0.000 1.078 165 D CA -0.399 53.138 54.000 -0.772 0.000 0.896 165 D CB 1.089 41.107 40.800 -1.302 0.000 1.194 165 D HN -0.074 nan 8.370 nan 0.000 0.429 166 S N 2.264 117.808 115.700 -0.261 0.000 2.400 166 S HA 0.431 4.891 4.470 -0.018 0.000 0.295 166 S C 1.027 175.567 174.600 -0.100 0.000 1.113 166 S CA -0.271 57.859 58.200 -0.116 0.000 1.064 166 S CB 0.376 63.541 63.200 -0.058 0.000 0.990 166 S HN 0.513 nan 8.310 nan 0.000 0.502 167 A N 4.988 127.658 122.820 -0.250 0.000 2.019 167 A HA -0.025 4.284 4.320 -0.018 0.000 0.219 167 A C 1.424 178.889 177.584 -0.199 0.000 1.164 167 A CA 0.928 52.827 52.037 -0.229 0.000 0.644 167 A CB -0.741 18.034 19.000 -0.375 0.000 0.805 167 A HN 0.993 nan 8.150 nan 0.000 0.449 168 W N -0.085 121.203 121.300 -0.020 0.000 2.364 168 W HA -0.041 4.608 4.660 -0.018 0.000 0.281 168 W C 2.398 179.035 176.519 0.195 0.000 1.219 168 W CA 0.877 58.207 57.345 -0.026 0.000 1.220 168 W CB -0.239 29.184 29.460 -0.062 0.000 1.127 168 W HN 0.366 nan 8.180 nan 0.000 0.556 169 A N -0.668 122.328 122.820 0.293 0.000 2.168 169 A HA -0.072 4.238 4.320 -0.018 0.000 0.215 169 A C 0.663 178.059 177.584 -0.313 0.000 1.152 169 A CA 0.849 52.938 52.037 0.087 0.000 0.716 169 A CB -0.614 18.395 19.000 0.015 0.000 0.794 169 A HN 0.337 nan 8.150 nan 0.000 0.465 170 H N -0.166 119.022 119.070 0.196 0.000 2.429 170 H HA 0.246 4.792 4.556 -0.018 0.000 0.237 170 H C -2.857 172.477 175.328 0.010 0.000 1.378 170 H CA -2.349 53.749 56.048 0.084 0.000 1.170 170 H CB -0.343 29.446 29.762 0.046 0.000 1.671 170 H HN 0.377 nan 8.280 nan 0.000 0.541 171 P HA 0.013 nan 4.420 nan 0.000 0.271 171 P C 0.275 177.389 177.300 -0.310 0.000 1.218 171 P CA -0.255 62.615 63.100 -0.382 0.000 0.780 171 P CB 2.004 33.556 31.700 -0.246 0.000 0.901 172 V N 3.483 123.137 119.914 -0.433 0.000 2.259 172 V HA 0.154 4.263 4.120 -0.018 0.000 0.267 172 V C 0.609 176.557 176.094 -0.243 0.000 1.051 172 V CA -0.291 61.852 62.300 -0.261 0.000 0.830 172 V CB 0.332 32.003 31.823 -0.253 0.000 1.080 172 V HN 0.527 nan 8.190 nan 0.000 0.467 173 D N 2.948 123.211 120.400 -0.229 0.000 2.358 173 D HA 0.443 5.073 4.640 -0.018 0.000 0.244 173 D C 1.261 177.532 176.300 -0.049 0.000 1.163 173 D CA 1.429 55.237 54.000 -0.320 0.000 0.945 173 D CB 1.810 42.096 40.800 -0.856 0.000 1.152 173 D HN 0.737 nan 8.370 nan 0.000 0.451 174 G N 0.532 109.333 108.800 0.002 0.000 2.176 174 G HA2 -0.221 3.728 3.960 -0.018 0.000 0.253 174 G HA3 -0.221 3.728 3.960 -0.018 0.000 0.253 174 G C -0.096 174.853 174.900 0.081 0.000 0.979 174 G CA 0.514 45.737 45.100 0.205 0.000 0.641 174 G HN 0.494 nan 8.290 nan 0.000 0.530 175 L N 0.146 121.385 121.223 0.027 0.000 2.408 175 L HA 0.927 5.256 4.340 -0.018 0.000 0.268 175 L C -0.714 176.233 176.870 0.128 0.000 0.986 175 L CA -1.040 53.812 54.840 0.021 0.000 0.820 175 L CB 2.395 44.378 42.059 -0.127 0.000 1.303 175 L HN 0.651 nan 8.230 nan 0.000 0.411 176 V N 3.991 124.012 119.914 0.178 0.000 2.969 176 V HA 0.955 5.065 4.120 -0.018 0.000 0.304 176 V C -1.372 174.763 176.094 0.069 0.000 1.192 176 V CA 0.303 62.735 62.300 0.220 0.000 0.962 176 V CB 2.042 34.019 31.823 0.256 0.000 1.045 176 V HN 1.184 nan 8.190 nan 0.000 0.428 177 A N 5.232 128.072 122.820 0.033 0.000 2.401 177 A HA 0.959 5.268 4.320 -0.018 0.000 0.310 177 A C -1.957 175.553 177.584 -0.124 0.000 1.075 177 A CA -0.464 51.457 52.037 -0.195 0.000 0.746 177 A CB 1.613 20.431 19.000 -0.303 0.000 1.277 177 A HN 0.844 nan 8.150 nan 0.000 0.425 178 Y N 0.440 120.586 120.300 -0.256 0.000 2.377 178 Y HA 0.615 5.154 4.550 -0.018 0.000 0.339 178 Y C -0.078 175.683 175.900 -0.231 0.000 1.011 178 Y CA -1.646 56.273 58.100 -0.301 0.000 1.093 178 Y CB 1.738 39.969 38.460 -0.381 0.000 1.201 178 Y HN 0.366 nan 8.280 nan 0.000 0.455 179 V N 2.974 122.860 119.914 -0.046 0.000 2.709 179 V HA 0.250 4.359 4.120 -0.018 0.000 0.308 179 V C -0.686 175.362 176.094 -0.077 0.000 1.062 179 V CA -1.093 61.159 62.300 -0.080 0.000 0.901 179 V CB 2.261 34.021 31.823 -0.105 0.000 1.003 179 V HN 0.681 nan 8.190 nan 0.000 0.425 180 D N 3.131 123.492 120.400 -0.066 0.000 2.347 180 D HA 0.173 4.802 4.640 -0.018 0.000 0.235 180 D C 0.888 177.152 176.300 -0.060 0.000 1.149 180 D CA -0.215 53.748 54.000 -0.061 0.000 0.850 180 D CB 2.036 42.809 40.800 -0.044 0.000 1.061 180 D HN 0.458 nan 8.370 nan 0.000 0.487 181 V N 2.227 122.097 119.914 -0.073 0.000 3.573 181 V HA -0.011 4.098 4.120 -0.018 0.000 0.270 181 V C 1.386 177.459 176.094 -0.035 0.000 1.221 181 V CA 0.329 62.588 62.300 -0.069 0.000 1.163 181 V CB -0.157 31.597 31.823 -0.116 0.000 0.847 181 V HN 0.394 nan 8.190 nan 0.000 0.468 182 V N 1.205 121.109 119.914 -0.017 0.000 2.521 182 V HA -0.018 4.092 4.120 -0.018 0.000 0.239 182 V C 2.731 178.828 176.094 0.005 0.000 1.053 182 V CA 1.672 63.985 62.300 0.022 0.000 1.073 182 V CB -0.187 31.663 31.823 0.046 0.000 0.746 182 V HN 0.675 nan 8.190 nan 0.000 0.476 183 S N -0.625 115.070 115.700 -0.009 0.000 2.522 183 S HA -0.023 4.436 4.470 -0.018 0.000 0.227 183 S C 0.871 175.462 174.600 -0.015 0.000 0.986 183 S CA 0.259 58.452 58.200 -0.012 0.000 0.929 183 S CB -0.487 62.703 63.200 -0.015 0.000 0.769 183 S HN 0.585 nan 8.310 nan 0.000 0.529 184 K N 1.037 121.424 120.400 -0.021 0.000 3.244 184 K HA -0.150 4.159 4.320 -0.018 0.000 0.270 184 K C -1.012 175.569 176.600 -0.032 0.000 1.016 184 K CA 0.851 57.122 56.287 -0.026 0.000 0.754 184 K CB -1.743 30.747 32.500 -0.015 0.000 1.326 184 K HN 0.698 nan 8.250 nan 0.000 0.465 185 E N -0.076 120.101 120.200 -0.039 0.000 2.238 185 E HA 0.361 4.701 4.350 -0.018 0.000 0.267 185 E C -0.509 176.057 176.600 -0.057 0.000 0.887 185 E CA -1.072 55.303 56.400 -0.041 0.000 0.769 185 E CB 2.353 32.035 29.700 -0.031 0.000 1.187 185 E HN -0.050 nan 8.360 nan 0.000 0.416 186 V N 2.913 122.787 119.914 -0.066 0.000 2.372 186 V HA 0.003 4.112 4.120 -0.018 0.000 0.261 186 V C 1.368 177.421 176.094 -0.068 0.000 1.055 186 V CA 0.260 62.507 62.300 -0.089 0.000 0.930 186 V CB 0.438 32.195 31.823 -0.110 0.000 1.031 186 V HN 0.947 nan 8.190 nan 0.000 0.479 187 T N 2.549 117.068 114.554 -0.060 0.000 2.985 187 T HA 0.143 4.482 4.350 -0.018 0.000 0.266 187 T C 0.808 175.467 174.700 -0.067 0.000 1.076 187 T CA 0.481 62.556 62.100 -0.042 0.000 1.135 187 T CB 0.338 69.196 68.868 -0.016 0.000 0.890 187 T HN 0.498 nan 8.240 nan 0.000 0.480 188 R N -0.771 119.648 120.500 -0.136 0.000 2.634 188 R HA 0.607 4.937 4.340 -0.018 0.000 0.263 188 R C -2.360 173.756 176.300 -0.306 0.000 1.060 188 R CA -0.624 55.331 56.100 -0.242 0.000 0.898 188 R CB 2.669 32.722 30.300 -0.411 0.000 1.253 188 R HN 0.082 nan 8.270 nan 0.000 0.461 189 V N 4.529 124.315 119.914 -0.214 0.000 2.524 189 V HA 0.485 4.594 4.120 -0.018 0.000 0.297 189 V C -0.633 175.396 176.094 -0.108 0.000 1.035 189 V CA -0.557 61.685 62.300 -0.098 0.000 0.867 189 V CB 1.887 33.756 31.823 0.077 0.000 1.004 189 V HN 0.563 nan 8.190 nan 0.000 0.426 190 I N 4.063 124.554 120.570 -0.131 0.000 2.378 190 I HA 0.497 4.656 4.170 -0.018 0.000 0.291 190 I C -0.857 175.253 176.117 -0.010 0.000 0.992 190 I CA -0.237 61.012 61.300 -0.084 0.000 1.154 190 I CB 1.903 39.828 38.000 -0.124 0.000 1.315 190 I HN 0.508 nan 8.210 nan 0.000 0.448 191 D N 4.598 124.996 120.400 -0.003 0.000 2.440 191 D HA 0.156 4.785 4.640 -0.018 0.000 0.252 191 D C 0.880 177.190 176.300 0.017 0.000 1.180 191 D CA -0.338 53.663 54.000 0.002 0.000 0.894 191 D CB 1.535 42.320 40.800 -0.024 0.000 1.111 191 D HN 0.644 nan 8.370 nan 0.000 0.544 192 T N 0.333 114.917 114.554 0.051 0.000 3.088 192 T HA 0.417 4.757 4.350 -0.018 0.000 0.259 192 T C 1.016 175.737 174.700 0.035 0.000 1.122 192 T CA 0.372 62.509 62.100 0.061 0.000 1.095 192 T CB 0.246 69.181 68.868 0.112 0.000 0.930 192 T HN 0.578 nan 8.240 nan 0.000 0.508 193 G N 0.025 108.842 108.800 0.027 0.000 2.321 193 G HA2 0.300 4.249 3.960 -0.018 0.000 0.339 193 G HA3 0.300 4.249 3.960 -0.018 0.000 0.339 193 G C -1.242 173.643 174.900 -0.024 0.000 1.518 193 G CA -0.486 44.586 45.100 -0.046 0.000 0.994 193 G HN 0.412 nan 8.290 nan 0.000 0.668 194 V N 0.466 120.327 119.914 -0.089 0.000 2.775 194 V HA 0.822 4.931 4.120 -0.018 0.000 0.299 194 V C -0.472 175.542 176.094 -0.133 0.000 1.062 194 V CA -0.198 62.075 62.300 -0.045 0.000 1.063 194 V CB 0.920 32.706 31.823 -0.061 0.000 0.994 194 V HN 0.706 nan 8.190 nan 0.000 0.483 195 F N 4.393 124.305 119.950 -0.064 0.000 2.578 195 F HA 0.583 5.099 4.527 -0.018 0.000 0.311 195 F C -2.054 173.716 175.800 -0.050 0.000 1.094 195 F CA -1.844 56.123 58.000 -0.055 0.000 0.923 195 F CB 1.986 40.952 39.000 -0.058 0.000 1.230 195 F HN 0.395 nan 8.300 nan 0.000 0.450 196 P HA 0.130 nan 4.420 nan 0.000 0.268 196 P C -0.959 176.395 177.300 0.089 0.000 1.205 196 P CA -0.167 62.984 63.100 0.085 0.000 0.771 196 P CB 0.583 32.327 31.700 0.073 0.000 0.858 197 V N 6.297 126.242 119.914 0.053 0.000 2.385 197 V HA 0.171 4.280 4.120 -0.018 0.000 0.269 197 V C -1.882 174.268 176.094 0.093 0.000 1.043 197 V CA -1.568 60.761 62.300 0.049 0.000 0.906 197 V CB 0.576 32.409 31.823 0.016 0.000 0.995 197 V HN 0.578 nan 8.190 nan 0.000 0.467 198 P HA -0.012 nan 4.420 nan 0.000 0.259 198 P C 0.457 177.918 177.300 0.268 0.000 1.163 198 P CA 0.460 63.636 63.100 0.127 0.000 0.760 198 P CB 0.755 32.484 31.700 0.048 0.000 0.762 199 A N 3.544 126.482 122.820 0.196 0.000 2.030 199 A HA -0.028 4.281 4.320 -0.018 0.000 0.215 199 A C 1.007 178.771 177.584 0.300 0.000 1.164 199 A CA 0.432 52.598 52.037 0.216 0.000 0.697 199 A CB -0.454 18.613 19.000 0.110 0.000 0.827 199 A HN 0.562 nan 8.150 nan 0.000 0.457 200 E N 0.863 121.193 120.200 0.218 0.000 2.384 200 E HA 0.170 4.509 4.350 -0.018 0.000 0.266 200 E C -0.248 176.520 176.600 0.280 0.000 1.012 200 E CA -0.338 56.167 56.400 0.174 0.000 0.901 200 E CB 0.310 30.075 29.700 0.110 0.000 0.967 200 E HN 0.704 nan 8.360 nan 0.000 0.435 201 H N 1.299 120.535 119.070 0.277 0.000 2.546 201 H HA 0.429 4.974 4.556 -0.018 0.000 0.365 201 H C 0.359 175.796 175.328 0.181 0.000 1.220 201 H CA -0.803 55.384 56.048 0.233 0.000 1.386 201 H CB 1.357 31.266 29.762 0.245 0.000 1.510 201 H HN 0.441 nan 8.280 nan 0.000 0.591 202 G N 1.218 110.263 108.800 0.409 0.000 4.637 202 G HA2 0.088 4.037 3.960 -0.018 0.000 0.294 202 G HA3 0.088 4.037 3.960 -0.018 0.000 0.294 202 G C -0.780 174.095 174.900 -0.042 0.000 1.215 202 G CA -0.758 44.418 45.100 0.126 0.000 0.943 202 G HN 0.753 nan 8.290 nan 0.000 0.572 203 N N 1.408 120.095 118.700 -0.023 0.000 2.605 203 N HA 0.165 4.895 4.740 -0.018 0.000 0.258 203 N C 0.863 176.222 175.510 -0.252 0.000 1.156 203 N CA -0.615 52.202 53.050 -0.387 0.000 1.008 203 N CB 0.279 38.444 38.487 -0.538 0.000 1.354 203 N HN 0.551 nan 8.380 nan 0.000 0.509 204 Y N -0.437 119.809 120.300 -0.089 0.000 2.651 204 Y HA -0.023 4.516 4.550 -0.018 0.000 0.296 204 Y C 1.401 177.272 175.900 -0.047 0.000 1.150 204 Y CA 0.183 58.236 58.100 -0.077 0.000 1.348 204 Y CB -0.342 38.043 38.460 -0.125 0.000 0.983 204 Y HN 0.220 nan 8.280 nan 0.000 0.555 205 T N -0.768 113.730 114.554 -0.092 0.000 3.040 205 T HA 0.002 4.341 4.350 -0.018 0.000 0.250 205 T C -0.156 174.525 174.700 -0.032 0.000 1.058 205 T CA 0.088 62.174 62.100 -0.023 0.000 0.988 205 T CB -0.257 68.579 68.868 -0.054 0.000 0.993 205 T HN 0.280 nan 8.240 nan 0.000 0.519 206 D N 2.653 123.017 120.400 -0.059 0.000 2.325 206 D HA 0.131 4.760 4.640 -0.018 0.000 0.251 206 D C -1.264 175.053 176.300 0.028 0.000 1.196 206 D CA -2.369 51.610 54.000 -0.035 0.000 0.866 206 D CB 1.504 42.239 40.800 -0.109 0.000 1.101 206 D HN 0.027 nan 8.370 nan 0.000 0.476 207 P HA -0.200 nan 4.420 nan 0.000 0.220 207 P C 0.986 178.317 177.300 0.052 0.000 1.144 207 P CA 0.806 63.927 63.100 0.034 0.000 0.800 207 P CB 0.334 32.046 31.700 0.021 0.000 0.772 208 E N -0.316 119.928 120.200 0.073 0.000 2.152 208 E HA -0.139 4.200 4.350 -0.018 0.000 0.192 208 E C 1.785 178.456 176.600 0.118 0.000 0.983 208 E CA 0.635 57.092 56.400 0.096 0.000 0.818 208 E CB -0.218 29.560 29.700 0.130 0.000 0.758 208 E HN 0.134 nan 8.360 nan 0.000 0.467 209 L N 0.738 122.056 121.223 0.158 0.000 2.130 209 L HA -0.041 4.288 4.340 -0.018 0.000 0.200 209 L C 2.656 179.583 176.870 0.096 0.000 1.075 209 L CA 2.241 57.177 54.840 0.160 0.000 0.768 209 L CB -0.791 41.441 42.059 0.290 0.000 0.933 209 L HN 0.206 nan 8.230 nan 0.000 0.451 210 T N -2.296 112.307 114.554 0.081 0.000 2.777 210 T HA 0.304 4.643 4.350 -0.018 0.000 0.266 210 T C 1.224 175.950 174.700 0.043 0.000 1.040 210 T CA 0.786 62.920 62.100 0.057 0.000 1.141 210 T CB -0.937 67.961 68.868 0.050 0.000 0.868 210 T HN 0.851 nan 8.240 nan 0.000 0.444 211 G N 1.621 110.447 108.800 0.043 0.000 2.660 211 G HA2 0.009 3.958 3.960 -0.018 0.000 0.215 211 G HA3 0.009 3.958 3.960 -0.018 0.000 0.215 211 G C -2.932 171.984 174.900 0.026 0.000 1.345 211 G CA -0.693 44.427 45.100 0.033 0.000 0.877 211 G HN 0.577 nan 8.290 nan 0.000 0.549 212 P HA 0.445 nan 4.420 nan 0.000 0.271 212 P C 0.375 177.683 177.300 0.014 0.000 1.216 212 P CA -0.357 62.752 63.100 0.015 0.000 0.771 212 P CB 0.471 32.179 31.700 0.013 0.000 0.864 213 L N 3.361 124.592 121.223 0.013 0.000 2.439 213 L HA 0.239 4.569 4.340 -0.018 0.000 0.269 213 L C 1.172 178.046 176.870 0.007 0.000 1.179 213 L CA -0.440 54.407 54.840 0.011 0.000 0.828 213 L CB 0.198 42.263 42.059 0.010 0.000 1.106 213 L HN 0.351 nan 8.230 nan 0.000 0.467 214 R N 0.535 121.038 120.500 0.005 0.000 2.583 214 R HA -0.010 4.319 4.340 -0.018 0.000 0.274 214 R C 0.900 177.201 176.300 0.002 0.000 0.998 214 R CA 0.504 56.605 56.100 0.003 0.000 1.081 214 R CB 0.231 30.531 30.300 0.000 0.000 0.940 214 R HN 0.714 nan 8.270 nan 0.000 0.413 215 T N -3.194 111.361 114.554 0.002 0.000 3.054 215 T HA -0.030 4.309 4.350 -0.018 0.000 0.255 215 T C 1.508 176.208 174.700 -0.000 0.000 1.035 215 T CA 0.270 62.371 62.100 0.001 0.000 0.941 215 T CB 0.296 69.165 68.868 0.002 0.000 1.026 215 T HN 0.693 nan 8.240 nan 0.000 0.533 216 T N 0.137 114.690 114.554 -0.001 0.000 2.985 216 T HA 0.034 4.373 4.350 -0.018 0.000 0.266 216 T C 0.903 175.601 174.700 -0.004 0.000 1.076 216 T CA 0.229 62.328 62.100 -0.003 0.000 1.135 216 T CB -0.507 68.359 68.868 -0.003 0.000 0.890 216 T HN 0.411 nan 8.240 nan 0.000 0.480 217 Q N 1.818 121.616 119.800 -0.004 0.000 2.286 217 Q HA 0.318 4.648 4.340 -0.018 0.000 0.265 217 Q C -0.758 175.240 176.000 -0.004 0.000 1.080 217 Q CA -0.074 55.726 55.803 -0.005 0.000 0.906 217 Q CB 0.612 29.347 28.738 -0.006 0.000 1.227 217 Q HN 0.225 nan 8.270 nan 0.000 0.409 218 K N 3.653 124.050 120.400 -0.004 0.000 2.118 218 K HA 0.317 4.626 4.320 -0.018 0.000 0.267 218 K C -2.086 174.513 176.600 -0.002 0.000 0.991 218 K CA -1.494 54.791 56.287 -0.003 0.000 0.916 218 K CB 0.404 32.902 32.500 -0.003 0.000 1.041 218 K HN 0.400 nan 8.250 nan 0.000 0.455 219 P HA 0.167 nan 4.420 nan 0.000 0.269 219 P C -0.758 176.543 177.300 0.001 0.000 1.215 219 P CA -0.004 63.096 63.100 0.001 0.000 0.780 219 P CB 0.609 32.311 31.700 0.002 0.000 0.898 220 I N 0.920 121.492 120.570 0.003 0.000 2.468 220 I HA 0.145 4.305 4.170 -0.018 0.000 0.284 220 I C -0.118 176.004 176.117 0.008 0.000 1.038 220 I CA -0.427 60.876 61.300 0.004 0.000 1.083 220 I CB 1.774 39.776 38.000 0.004 0.000 1.223 220 I HN 0.175 nan 8.210 nan 0.000 0.443 221 S N 6.997 122.704 115.700 0.010 0.000 2.442 221 S HA 0.602 5.062 4.470 -0.018 0.000 0.297 221 S C -0.184 174.428 174.600 0.019 0.000 1.131 221 S CA -0.447 57.761 58.200 0.013 0.000 1.092 221 S CB 1.158 64.365 63.200 0.013 0.000 0.998 221 S HN 0.376 nan 8.310 nan 0.000 0.478 222 I N 3.768 124.351 120.570 0.022 0.000 2.405 222 I HA 0.283 4.442 4.170 -0.018 0.000 0.280 222 I C -0.118 176.019 176.117 0.034 0.000 1.027 222 I CA -0.235 61.085 61.300 0.033 0.000 1.161 222 I CB 1.223 39.246 38.000 0.039 0.000 1.300 222 I HN 0.504 nan 8.210 nan 0.000 0.463 223 T N 4.444 119.019 114.554 0.036 0.000 2.940 223 T HA 0.488 4.827 4.350 -0.018 0.000 0.288 223 T C -0.351 174.375 174.700 0.043 0.000 1.045 223 T CA -0.824 61.296 62.100 0.034 0.000 1.018 223 T CB 2.132 71.016 68.868 0.026 0.000 1.151 223 T HN 0.423 nan 8.240 nan 0.000 0.529 224 Q N 0.641 120.464 119.800 0.038 0.000 3.021 224 Q HA 0.214 4.543 4.340 -0.018 0.000 0.234 224 Q C -2.223 173.791 176.000 0.023 0.000 0.930 224 Q CA -1.597 54.230 55.803 0.039 0.000 0.714 224 Q CB 1.813 30.579 28.738 0.048 0.000 1.325 224 Q HN 0.385 nan 8.270 nan 0.000 0.473 225 P HA -0.206 nan 4.420 nan 0.000 0.217 225 P C 0.128 177.433 177.300 0.008 0.000 1.148 225 P CA 1.454 64.563 63.100 0.014 0.000 0.834 225 P CB 0.358 32.066 31.700 0.015 0.000 0.783 226 E N -1.160 119.044 120.200 0.007 0.000 2.558 226 E HA 0.385 4.724 4.350 -0.018 0.000 0.205 226 E C 0.814 177.407 176.600 -0.013 0.000 1.006 226 E CA -0.008 56.392 56.400 -0.001 0.000 0.961 226 E CB 0.207 29.909 29.700 0.003 0.000 1.044 226 E HN 0.120 nan 8.360 nan 0.000 0.465 227 G N 2.922 111.713 108.800 -0.015 0.000 2.760 227 G HA2 -0.193 3.756 3.960 -0.018 0.000 0.246 227 G HA3 -0.193 3.756 3.960 -0.018 0.000 0.246 227 G C -2.753 172.113 174.900 -0.057 0.000 1.359 227 G CA -0.850 44.222 45.100 -0.046 0.000 0.861 227 G HN 0.031 nan 8.290 nan 0.000 0.541 228 P HA 0.397 nan 4.420 nan 0.000 0.276 228 P C 0.527 177.747 177.300 -0.133 0.000 1.252 228 P CA 0.085 63.080 63.100 -0.174 0.000 0.802 228 P CB 1.344 32.691 31.700 -0.588 0.000 1.035 229 S N -0.325 115.429 115.700 0.090 0.000 2.558 229 S HA 0.130 4.589 4.470 -0.018 0.000 0.217 229 S C 0.688 175.457 174.600 0.280 0.000 0.975 229 S CA 0.001 58.303 58.200 0.170 0.000 0.912 229 S CB -0.804 62.538 63.200 0.237 0.000 0.776 229 S HN 0.561 nan 8.310 nan 0.000 0.526 230 F N 2.064 122.198 119.950 0.307 0.000 2.399 230 F HA 0.753 5.269 4.527 -0.018 0.000 0.328 230 F C 0.082 175.966 175.800 0.140 0.000 1.084 230 F CA -1.081 57.086 58.000 0.277 0.000 1.053 230 F CB 0.488 39.627 39.000 0.231 0.000 1.209 230 F HN -0.123 nan 8.300 nan 0.000 0.502 231 T N 0.087 114.813 114.554 0.287 0.000 2.829 231 T HA 0.699 5.039 4.350 -0.018 0.000 0.280 231 T C -1.031 173.812 174.700 0.239 0.000 0.999 231 T CA -0.798 61.398 62.100 0.160 0.000 0.983 231 T CB 1.340 70.282 68.868 0.124 0.000 0.968 231 T HN 0.665 nan 8.240 nan 0.000 0.446 232 V N 3.150 123.177 119.914 0.189 0.000 2.347 232 V HA 0.615 4.725 4.120 -0.018 0.000 0.280 232 V C 0.331 176.514 176.094 0.149 0.000 1.021 232 V CA -0.475 61.936 62.300 0.186 0.000 0.847 232 V CB 1.201 33.136 31.823 0.186 0.000 0.990 232 V HN 1.137 nan 8.190 nan 0.000 0.444 233 T N 2.896 117.557 114.554 0.179 0.000 2.900 233 T HA 0.622 4.961 4.350 -0.018 0.000 0.295 233 T C 0.712 175.506 174.700 0.156 0.000 1.044 233 T CA 0.453 62.648 62.100 0.158 0.000 0.995 233 T CB 1.536 70.511 68.868 0.179 0.000 1.072 233 T HN 1.353 nan 8.240 nan 0.000 0.473 234 G N 1.395 110.255 108.800 0.099 0.000 2.283 234 G HA2 -0.032 3.918 3.960 -0.018 0.000 0.280 234 G HA3 -0.032 3.918 3.960 -0.018 0.000 0.280 234 G C 1.228 176.186 174.900 0.096 0.000 1.029 234 G CA 1.029 46.179 45.100 0.084 0.000 0.840 234 G HN 1.818 nan 8.290 nan 0.000 0.505 235 G N -0.079 108.776 108.800 0.093 0.000 2.990 235 G HA2 -0.299 3.651 3.960 -0.018 0.000 0.225 235 G HA3 -0.299 3.651 3.960 -0.018 0.000 0.225 235 G C 0.928 175.885 174.900 0.095 0.000 1.304 235 G CA 1.177 46.328 45.100 0.085 0.000 0.816 235 G HN 2.198 nan 8.290 nan 0.000 0.528 236 N N -0.084 118.685 118.700 0.115 0.000 2.307 236 N HA 0.127 4.857 4.740 -0.018 0.000 0.248 236 N C -0.284 175.293 175.510 0.113 0.000 1.322 236 N CA 0.077 53.188 53.050 0.102 0.000 0.861 236 N CB -0.309 38.236 38.487 0.097 0.000 1.303 236 N HN 0.635 nan 8.380 nan 0.000 0.498 237 H N 0.990 120.100 119.070 0.067 0.000 2.594 237 H HA 0.401 4.946 4.556 -0.018 0.000 0.304 237 H C -0.931 174.446 175.328 0.082 0.000 1.068 237 H CA -0.371 55.714 56.048 0.063 0.000 1.308 237 H CB 0.998 30.796 29.762 0.061 0.000 1.409 237 H HN -0.031 nan 8.280 nan 0.000 0.460 238 I N 4.611 124.933 120.570 -0.414 0.000 2.460 238 I HA 0.162 4.321 4.170 -0.018 0.000 0.298 238 I C -0.048 175.951 176.117 -0.196 0.000 0.989 238 I CA -0.290 60.906 61.300 -0.173 0.000 1.173 238 I CB 1.641 39.568 38.000 -0.123 0.000 1.338 238 I HN 0.544 nan 8.210 nan 0.000 0.456 239 E N 5.008 125.259 120.200 0.085 0.000 2.265 239 E HA 0.295 4.634 4.350 -0.018 0.000 0.262 239 E C -1.856 174.937 176.600 0.322 0.000 0.889 239 E CA -0.586 55.914 56.400 0.166 0.000 0.789 239 E CB 2.272 32.075 29.700 0.171 0.000 1.221 239 E HN 0.569 nan 8.360 nan 0.000 0.414 240 W N 3.788 125.159 121.300 0.117 0.000 3.132 240 W HA 0.165 4.815 4.660 -0.017 0.000 0.337 240 W C -0.421 176.198 176.519 0.166 0.000 1.082 240 W CA -0.409 57.030 57.345 0.157 0.000 1.242 240 W CB 0.983 30.531 29.460 0.147 0.000 1.354 240 W HN 0.337 nan 8.180 nan 0.000 0.461 241 E N 5.713 125.583 120.200 -0.550 0.000 2.165 241 E HA -0.327 4.012 4.350 -0.018 0.000 0.203 241 E C 0.530 176.837 176.600 -0.488 0.000 1.335 241 E CA 1.883 57.884 56.400 -0.665 0.000 0.708 241 E CB -1.072 27.852 29.700 -1.293 0.000 1.105 241 E HN 0.900 nan 8.360 nan 0.000 0.346 242 K N -3.946 116.206 120.400 -0.413 0.000 3.615 242 K HA -0.238 4.071 4.320 -0.018 0.000 0.264 242 K C 0.184 176.361 176.600 -0.705 0.000 1.090 242 K CA 1.620 57.501 56.287 -0.677 0.000 1.058 242 K CB -1.404 30.374 32.500 -1.203 0.000 1.304 242 K HN 0.241 nan 8.250 nan 0.000 0.513 243 W N 1.841 122.930 121.300 -0.351 0.000 2.202 243 W HA 0.390 5.040 4.660 -0.017 0.000 0.332 243 W C 0.698 177.202 176.519 -0.026 0.000 1.263 243 W CA 0.103 57.401 57.345 -0.078 0.000 1.223 243 W CB 1.333 30.906 29.460 0.189 0.000 1.128 243 W HN -0.007 nan 8.180 nan 0.000 0.573 244 S N 4.055 119.924 115.700 0.281 0.000 2.548 244 S HA 0.820 5.280 4.470 -0.018 0.000 0.276 244 S C -1.119 173.511 174.600 0.050 0.000 1.129 244 S CA -0.748 57.521 58.200 0.115 0.000 0.931 244 S CB 0.208 63.492 63.200 0.141 0.000 1.068 244 S HN 0.564 nan 8.310 nan 0.000 0.480 245 L N 1.143 122.266 121.223 -0.166 0.000 3.020 245 L HA 0.726 5.055 4.340 -0.018 0.000 0.273 245 L C -2.168 174.567 176.870 -0.226 0.000 1.018 245 L CA -1.043 53.710 54.840 -0.145 0.000 0.950 245 L CB 1.614 43.601 42.059 -0.119 0.000 1.510 245 L HN 0.411 nan 8.230 nan 0.000 0.404 246 D N 1.573 121.918 120.400 -0.092 0.000 2.391 246 D HA 0.441 5.070 4.640 -0.018 0.000 0.245 246 D C -0.690 175.623 176.300 0.022 0.000 1.069 246 D CA -0.281 53.726 54.000 0.012 0.000 0.831 246 D CB 3.133 43.990 40.800 0.095 0.000 1.204 246 D HN 0.366 nan 8.370 nan 0.000 0.503 247 V N 2.427 122.347 119.914 0.011 0.000 2.339 247 V HA 0.398 4.507 4.120 -0.018 0.000 0.261 247 V C 1.034 177.183 176.094 0.092 0.000 1.058 247 V CA -0.330 61.967 62.300 -0.006 0.000 0.897 247 V CB 0.868 32.672 31.823 -0.033 0.000 1.052 247 V HN 0.587 nan 8.190 nan 0.000 0.480 248 G N 3.172 112.053 108.800 0.135 0.000 2.511 248 G HA2 0.674 4.623 3.960 -0.018 0.000 0.316 248 G HA3 0.674 4.623 3.960 -0.018 0.000 0.316 248 G C -1.436 173.559 174.900 0.158 0.000 1.210 248 G CA -0.422 44.803 45.100 0.209 0.000 0.969 248 G HN 0.472 nan 8.290 nan 0.000 0.492 249 F N -0.220 119.717 119.950 -0.023 0.000 2.588 249 F HA 0.490 5.006 4.527 -0.018 0.000 0.314 249 F C -1.438 174.320 175.800 -0.070 0.000 1.134 249 F CA -0.898 57.040 58.000 -0.102 0.000 0.961 249 F CB 2.591 41.521 39.000 -0.118 0.000 1.239 249 F HN 0.527 nan 8.300 nan 0.000 0.448 250 D N 3.568 123.618 120.400 -0.583 0.000 2.619 250 D HA 0.328 4.958 4.640 -0.018 0.000 0.241 250 D C 0.097 176.071 176.300 -0.543 0.000 1.087 250 D CA -0.528 53.276 54.000 -0.326 0.000 0.851 250 D CB 2.495 43.197 40.800 -0.162 0.000 1.474 250 D HN 0.355 nan 8.370 nan 0.000 0.478 251 V N 4.055 123.854 119.914 -0.192 0.000 2.490 251 V HA -0.106 4.003 4.120 -0.018 0.000 0.250 251 V C 2.106 178.147 176.094 -0.089 0.000 1.061 251 V CA 2.058 64.290 62.300 -0.113 0.000 1.064 251 V CB -0.344 31.467 31.823 -0.020 0.000 0.670 251 V HN 0.610 nan 8.190 nan 0.000 0.461 252 R N -0.452 120.050 120.500 0.004 0.000 2.052 252 R HA -0.058 4.271 4.340 -0.018 0.000 0.224 252 R C 2.235 178.466 176.300 -0.115 0.000 1.149 252 R CA 1.714 57.791 56.100 -0.039 0.000 0.962 252 R CB -0.204 30.012 30.300 -0.140 0.000 0.856 252 R HN 0.568 nan 8.270 nan 0.000 0.433 253 E N -0.601 119.506 120.200 -0.155 0.000 2.230 253 E HA 0.112 4.451 4.350 -0.018 0.000 0.192 253 E C 0.700 177.092 176.600 -0.347 0.000 0.987 253 E CA 0.436 56.736 56.400 -0.168 0.000 0.841 253 E CB 0.445 30.095 29.700 -0.082 0.000 0.783 253 E HN 0.566 nan 8.360 nan 0.000 0.481 254 G N 0.561 108.930 108.800 -0.718 0.000 2.484 254 G HA2 -0.278 3.671 3.960 -0.018 0.000 0.225 254 G HA3 -0.278 3.671 3.960 -0.018 0.000 0.225 254 G C -0.204 174.045 174.900 -1.084 0.000 1.250 254 G CA -0.414 43.915 45.100 -1.286 0.000 0.926 254 G HN 0.095 nan 8.290 nan 0.000 0.581 255 V N 0.522 119.969 119.914 -0.779 0.000 2.599 255 V HA 0.414 4.523 4.120 -0.018 0.000 0.300 255 V C 0.872 176.861 176.094 -0.175 0.000 1.034 255 V CA 0.198 62.377 62.300 -0.201 0.000 1.115 255 V CB 0.962 32.862 31.823 0.129 0.000 0.934 255 V HN 0.900 nan 8.190 nan 0.000 0.485 256 V N 6.451 126.214 119.914 -0.252 0.000 2.735 256 V HA 0.513 4.622 4.120 -0.018 0.000 0.310 256 V C -0.282 175.475 176.094 -0.562 0.000 1.061 256 V CA -0.668 61.386 62.300 -0.409 0.000 0.913 256 V CB 2.020 33.620 31.823 -0.370 0.000 1.005 256 V HN 0.621 nan 8.190 nan 0.000 0.428 257 L N 4.693 125.465 121.223 -0.752 0.000 2.322 257 L HA 0.648 4.977 4.340 -0.018 0.000 0.281 257 L C -0.567 175.925 176.870 -0.630 0.000 1.014 257 L CA -0.594 53.856 54.840 -0.649 0.000 0.815 257 L CB 1.337 42.949 42.059 -0.746 0.000 1.247 257 L HN 0.621 nan 8.230 nan 0.000 0.421 258 H N 3.369 122.284 119.070 -0.258 0.000 2.621 258 H HA 0.301 4.846 4.556 -0.018 0.000 0.360 258 H C -0.257 174.875 175.328 -0.327 0.000 1.163 258 H CA -0.781 55.095 56.048 -0.286 0.000 1.194 258 H CB 1.872 31.433 29.762 -0.336 0.000 1.649 258 H HN 0.560 nan 8.280 nan 0.000 0.532 259 N N 1.189 119.763 118.700 -0.209 0.000 2.705 259 N HA -0.198 4.532 4.740 -0.018 0.000 0.255 259 N C -0.359 175.094 175.510 -0.095 0.000 1.008 259 N CA 0.508 53.440 53.050 -0.196 0.000 0.742 259 N CB -1.363 36.952 38.487 -0.287 0.000 0.906 259 N HN 0.541 nan 8.380 nan 0.000 0.541 260 I N 0.460 120.982 120.570 -0.079 0.000 2.517 260 I HA 0.292 4.451 4.170 -0.018 0.000 0.285 260 I C 0.974 177.157 176.117 0.110 0.000 1.106 260 I CA 0.130 61.449 61.300 0.031 0.000 1.402 260 I CB 0.588 38.589 38.000 0.002 0.000 1.399 260 I HN 0.363 nan 8.210 nan 0.000 0.535 261 A N 6.852 129.802 122.820 0.216 0.000 2.594 261 A HA 0.779 5.088 4.320 -0.018 0.000 0.291 261 A C -1.639 176.087 177.584 0.237 0.000 1.105 261 A CA -0.444 51.704 52.037 0.185 0.000 0.694 261 A CB 1.557 20.615 19.000 0.097 0.000 1.291 261 A HN 0.513 nan 8.150 nan 0.000 0.410 262 F N 0.701 120.651 119.950 -0.000 0.000 2.529 262 F HA 0.545 5.061 4.527 -0.018 0.000 0.320 262 F C 0.416 176.224 175.800 0.013 0.000 1.118 262 F CA -0.493 57.442 58.000 -0.108 0.000 0.915 262 F CB 1.904 40.793 39.000 -0.185 0.000 1.161 262 F HN 0.583 nan 8.300 nan 0.000 0.445 263 R N 3.588 124.011 120.500 -0.130 0.000 2.429 263 R HA 0.085 4.414 4.340 -0.018 0.000 0.302 263 R C -0.989 175.415 176.300 0.172 0.000 1.268 263 R CA -0.277 55.823 56.100 -0.001 0.000 1.090 263 R CB -0.172 30.062 30.300 -0.109 0.000 1.102 263 R HN 0.456 nan 8.270 nan 0.000 0.522 264 D N 2.487 123.069 120.400 0.304 0.000 2.453 264 D HA 0.186 4.815 4.640 -0.018 0.000 0.223 264 D C 1.170 177.560 176.300 0.150 0.000 1.183 264 D CA 0.769 54.965 54.000 0.327 0.000 0.933 264 D CB 0.501 41.472 40.800 0.286 0.000 1.038 264 D HN 0.682 nan 8.370 nan 0.000 0.513 265 G N 4.714 113.583 108.800 0.116 0.000 2.595 265 G HA2 -0.336 3.613 3.960 -0.018 0.000 0.297 265 G HA3 -0.336 3.613 3.960 -0.018 0.000 0.297 265 G C 0.758 175.680 174.900 0.037 0.000 1.181 265 G CA 0.335 45.471 45.100 0.060 0.000 0.963 265 G HN 0.510 nan 8.290 nan 0.000 0.541 266 D N 1.923 122.340 120.400 0.027 0.000 2.360 266 D HA 0.132 4.761 4.640 -0.018 0.000 0.210 266 D C 1.393 177.702 176.300 0.016 0.000 1.047 266 D CA 0.631 54.641 54.000 0.016 0.000 0.854 266 D CB 0.130 40.935 40.800 0.009 0.000 0.936 266 D HN 0.704 nan 8.370 nan 0.000 0.514 267 R N 0.978 121.491 120.500 0.023 0.000 2.338 267 R HA 0.440 4.770 4.340 -0.018 0.000 0.317 267 R C -0.468 175.856 176.300 0.040 0.000 0.968 267 R CA -0.858 55.252 56.100 0.017 0.000 0.849 267 R CB 1.431 31.728 30.300 -0.006 0.000 1.128 267 R HN -0.161 nan 8.270 nan 0.000 0.448 268 L N 4.021 125.264 121.223 0.032 0.000 2.342 268 L HA 0.244 4.573 4.340 -0.018 0.000 0.285 268 L C -0.427 176.474 176.870 0.051 0.000 1.095 268 L CA -0.051 54.819 54.840 0.050 0.000 0.843 268 L CB 0.261 42.342 42.059 0.036 0.000 1.201 268 L HN 0.588 nan 8.230 nan 0.000 0.445 269 R N 6.206 126.766 120.500 0.100 0.000 2.265 269 R HA 0.455 4.784 4.340 -0.018 0.000 0.319 269 R C -2.337 174.049 176.300 0.144 0.000 1.006 269 R CA -1.771 54.388 56.100 0.099 0.000 0.880 269 R CB 0.619 30.969 30.300 0.083 0.000 1.077 269 R HN 0.455 nan 8.270 nan 0.000 0.454 270 P HA 0.148 nan 4.420 nan 0.000 0.274 270 P C -0.078 177.233 177.300 0.017 0.000 1.231 270 P CA -0.005 63.089 63.100 -0.010 0.000 0.790 270 P CB 0.887 32.500 31.700 -0.146 0.000 0.951 271 I N 0.609 121.128 120.570 -0.085 0.000 3.746 271 I HA 0.250 4.409 4.170 -0.018 0.000 0.262 271 I C 0.433 176.414 176.117 -0.227 0.000 1.153 271 I CA 0.306 61.454 61.300 -0.254 0.000 1.395 271 I CB 0.326 38.076 38.000 -0.417 0.000 1.589 271 I HN 0.132 nan 8.210 nan 0.000 0.441 272 I N 1.428 121.900 120.570 -0.163 0.000 2.478 272 I HA 0.165 4.324 4.170 -0.018 0.000 0.287 272 I C 0.604 176.642 176.117 -0.132 0.000 1.042 272 I CA -0.240 60.974 61.300 -0.142 0.000 1.067 272 I CB 2.078 39.998 38.000 -0.133 0.000 1.233 272 I HN 0.146 nan 8.210 nan 0.000 0.431 273 N N 5.435 124.075 118.700 -0.099 0.000 2.080 273 N HA -0.000 4.729 4.740 -0.018 0.000 0.189 273 N C 0.597 176.067 175.510 -0.067 0.000 1.036 273 N CA 1.076 54.097 53.050 -0.048 0.000 0.846 273 N CB 0.500 39.073 38.487 0.144 0.000 1.015 273 N HN 0.527 nan 8.380 nan 0.000 0.423 274 R N -0.145 120.295 120.500 -0.100 0.000 2.564 274 R HA 0.516 4.846 4.340 -0.018 0.000 0.284 274 R C -2.002 174.139 176.300 -0.266 0.000 1.031 274 R CA -0.522 55.462 56.100 -0.194 0.000 0.904 274 R CB 2.004 32.244 30.300 -0.100 0.000 1.199 274 R HN 0.108 nan 8.270 nan 0.000 0.443 275 A N 2.288 124.861 122.820 -0.411 0.000 2.359 275 A HA 0.671 4.980 4.320 -0.018 0.000 0.303 275 A C -1.053 176.248 177.584 -0.472 0.000 1.066 275 A CA -0.495 51.288 52.037 -0.422 0.000 0.730 275 A CB 1.479 20.122 19.000 -0.594 0.000 1.211 275 A HN 0.782 nan 8.150 nan 0.000 0.439 276 S N 1.501 117.108 115.700 -0.156 0.000 2.596 276 S HA 0.700 5.159 4.470 -0.018 0.000 0.270 276 S C -1.042 173.654 174.600 0.160 0.000 1.155 276 S CA -0.732 57.465 58.200 -0.005 0.000 0.827 276 S CB 0.973 64.113 63.200 -0.100 0.000 1.130 276 S HN 0.531 nan 8.310 nan 0.000 0.467 277 I N 2.305 122.988 120.570 0.188 0.000 2.287 277 I HA 0.372 4.532 4.170 -0.018 0.000 0.290 277 I C 1.369 177.566 176.117 0.132 0.000 1.069 277 I CA -0.469 60.928 61.300 0.163 0.000 1.237 277 I CB 0.214 38.356 38.000 0.236 0.000 1.418 277 I HN 0.986 nan 8.210 nan 0.000 0.481 278 A N 5.178 128.071 122.820 0.122 0.000 2.119 278 A HA 0.045 4.355 4.320 -0.018 0.000 0.216 278 A C 0.830 178.493 177.584 0.130 0.000 1.152 278 A CA 1.014 53.152 52.037 0.169 0.000 0.708 278 A CB 0.113 19.238 19.000 0.208 0.000 0.805 278 A HN 0.651 nan 8.150 nan 0.000 0.460 279 E N -2.057 118.158 120.200 0.025 0.000 2.423 279 E HA 0.639 4.979 4.350 -0.018 0.000 0.280 279 E C -1.380 175.229 176.600 0.016 0.000 1.030 279 E CA -0.389 55.984 56.400 -0.045 0.000 0.812 279 E CB 1.011 30.511 29.700 -0.333 0.000 1.313 279 E HN 0.103 nan 8.360 nan 0.000 0.456 280 M N 3.235 122.850 119.600 0.025 0.000 2.234 280 M HA 0.392 4.861 4.480 -0.018 0.000 0.267 280 M C -1.929 174.267 176.300 -0.172 0.000 1.022 280 M CA -0.785 54.423 55.300 -0.154 0.000 0.993 280 M CB 1.677 34.184 32.600 -0.154 0.000 1.836 280 M HN 0.420 nan 8.290 nan 0.000 0.479 281 V N 5.687 125.440 119.914 -0.268 0.000 2.604 281 V HA 0.678 4.787 4.120 -0.018 0.000 0.305 281 V C -1.243 174.604 176.094 -0.412 0.000 1.043 281 V CA -0.289 61.755 62.300 -0.428 0.000 0.888 281 V CB 2.226 33.714 31.823 -0.559 0.000 0.995 281 V HN 0.603 nan 8.190 nan 0.000 0.429 282 V N 9.157 128.876 119.914 -0.325 0.000 2.266 282 V HA 0.402 4.511 4.120 -0.018 0.000 0.266 282 V C -2.360 173.656 176.094 -0.129 0.000 1.036 282 V CA -1.322 60.805 62.300 -0.288 0.000 0.828 282 V CB 1.317 32.953 31.823 -0.312 0.000 1.081 282 V HN 0.808 nan 8.190 nan 0.000 0.449 283 P HA 0.318 nan 4.420 nan 0.000 0.285 283 P C -1.278 175.907 177.300 -0.192 0.000 1.259 283 P CA -0.353 62.673 63.100 -0.123 0.000 0.794 283 P CB 1.100 32.710 31.700 -0.150 0.000 0.940 284 Y N 0.693 120.941 120.300 -0.088 0.000 2.323 284 Y HA 0.434 4.974 4.550 -0.018 0.000 0.331 284 Y C 1.784 177.658 175.900 -0.043 0.000 1.092 284 Y CA 0.335 58.399 58.100 -0.060 0.000 1.150 284 Y CB 1.329 39.696 38.460 -0.155 0.000 1.200 284 Y HN 0.484 nan 8.280 nan 0.000 0.472 285 G N 1.388 110.234 108.800 0.077 0.000 3.434 285 G HA2 -0.037 3.913 3.960 -0.018 0.000 0.258 285 G HA3 -0.037 3.913 3.960 -0.018 0.000 0.258 285 G C -0.471 174.476 174.900 0.078 0.000 1.128 285 G CA -0.158 44.990 45.100 0.080 0.000 0.792 285 G HN 0.521 nan 8.290 nan 0.000 0.539 286 D N 1.221 121.660 120.400 0.064 0.000 2.316 286 D HA 0.219 4.848 4.640 -0.018 0.000 0.245 286 D C -1.289 175.000 176.300 -0.018 0.000 1.171 286 D CA -2.393 51.606 54.000 -0.001 0.000 0.856 286 D CB 2.127 42.924 40.800 -0.005 0.000 1.090 286 D HN 0.044 nan 8.370 nan 0.000 0.476 287 P HA -0.002 nan 4.420 nan 0.000 0.253 287 P C 0.198 177.495 177.300 -0.005 0.000 1.281 287 P CA -0.131 62.967 63.100 -0.004 0.000 0.792 287 P CB 0.117 31.824 31.700 0.012 0.000 1.193 288 S N 1.574 117.262 115.700 -0.020 0.000 2.531 288 S HA 0.176 4.635 4.470 -0.018 0.000 0.279 288 S C -1.400 173.210 174.600 0.017 0.000 1.305 288 S CA -1.131 57.069 58.200 -0.000 0.000 1.058 288 S CB 0.461 63.645 63.200 -0.028 0.000 0.899 288 S HN -0.091 nan 8.310 nan 0.000 0.493 289 P HA -0.078 nan 4.420 nan 0.000 0.223 289 P C 1.040 178.485 177.300 0.242 0.000 1.144 289 P CA 0.634 63.821 63.100 0.145 0.000 0.783 289 P CB 0.070 31.855 31.700 0.141 0.000 0.771 290 I N -1.194 119.476 120.570 0.167 0.000 2.546 290 I HA -0.080 4.079 4.170 -0.018 0.000 0.255 290 I C 1.685 177.923 176.117 0.203 0.000 1.163 290 I CA 1.465 62.903 61.300 0.231 0.000 1.457 290 I CB -0.842 37.213 38.000 0.092 0.000 1.092 290 I HN 0.017 nan 8.210 nan 0.000 0.434 291 R N -0.701 119.727 120.500 -0.120 0.000 2.539 291 R HA 0.103 4.433 4.340 -0.018 0.000 0.342 291 R C 1.773 177.623 176.300 -0.749 0.000 0.941 291 R CA 0.432 56.176 56.100 -0.594 0.000 1.146 291 R CB 0.299 30.374 30.300 -0.374 0.000 1.541 291 R HN 0.242 nan 8.270 nan 0.000 0.525 292 S N 0.643 116.095 115.700 -0.413 0.000 2.595 292 S HA -0.087 4.372 4.470 -0.018 0.000 0.235 292 S C 1.180 175.568 174.600 -0.352 0.000 0.974 292 S CA 0.220 58.255 58.200 -0.275 0.000 0.942 292 S CB -0.365 62.774 63.200 -0.102 0.000 0.766 292 S HN 0.607 nan 8.310 nan 0.000 0.536 293 W N 0.255 121.361 121.300 -0.323 0.000 3.127 293 W HA 0.416 5.065 4.660 -0.018 0.000 0.344 293 W C 0.297 176.790 176.519 -0.043 0.000 1.151 293 W CA -0.731 56.291 57.345 -0.539 0.000 1.765 293 W CB -0.537 28.444 29.460 -0.798 0.000 1.085 293 W HN 0.257 nan 8.180 nan 0.000 0.596 294 Q N 3.046 122.298 119.800 -0.912 0.000 2.300 294 Q HA 0.106 4.435 4.340 -0.018 0.000 0.262 294 Q C -0.794 175.068 176.000 -0.230 0.000 1.109 294 Q CA 0.703 55.984 55.803 -0.869 0.000 0.905 294 Q CB 0.074 28.062 28.738 -1.250 0.000 1.280 294 Q HN 0.017 nan 8.270 nan 0.000 0.426 295 N N 4.590 123.231 118.700 -0.099 0.000 2.599 295 N HA 0.132 4.861 4.740 -0.018 0.000 0.283 295 N C -1.811 173.736 175.510 0.062 0.000 1.160 295 N CA -0.405 52.667 53.050 0.037 0.000 0.869 295 N CB 0.993 39.559 38.487 0.132 0.000 1.448 295 N HN 0.373 nan 8.380 nan 0.000 0.535 296 Y N 0.646 120.943 120.300 -0.004 0.000 2.310 296 Y HA 0.455 4.994 4.550 -0.018 0.000 0.326 296 Y C 0.236 176.088 175.900 -0.080 0.000 1.151 296 Y CA -0.582 57.557 58.100 0.065 0.000 1.195 296 Y CB 0.731 39.086 38.460 -0.174 0.000 1.210 296 Y HN 0.339 nan 8.280 nan 0.000 0.483 297 F N 1.837 121.988 119.950 0.335 0.000 2.449 297 F HA 0.278 4.794 4.527 -0.018 0.000 0.344 297 F C 0.444 176.398 175.800 0.257 0.000 1.180 297 F CA -0.993 57.141 58.000 0.224 0.000 1.209 297 F CB 0.530 39.651 39.000 0.202 0.000 1.440 297 F HN 0.534 nan 8.300 nan 0.000 0.526 298 D N -0.207 120.311 120.400 0.198 0.000 2.182 298 D HA -0.163 4.466 4.640 -0.018 0.000 0.201 298 D C 1.927 178.379 176.300 0.254 0.000 0.986 298 D CA 1.734 55.820 54.000 0.142 0.000 0.847 298 D CB 0.179 40.981 40.800 0.003 0.000 0.942 298 D HN 0.371 nan 8.370 nan 0.000 0.467 299 T N -1.048 113.620 114.554 0.190 0.000 2.901 299 T HA 0.052 4.391 4.350 -0.018 0.000 0.252 299 T C 2.011 176.755 174.700 0.073 0.000 1.035 299 T CA 0.989 63.161 62.100 0.120 0.000 1.142 299 T CB -0.468 68.438 68.868 0.063 0.000 0.869 299 T HN 0.251 nan 8.240 nan 0.000 0.442 300 G N 1.414 110.277 108.800 0.105 0.000 2.434 300 G HA2 -0.128 3.821 3.960 -0.018 0.000 0.214 300 G HA3 -0.128 3.821 3.960 -0.018 0.000 0.214 300 G C 1.430 176.381 174.900 0.084 0.000 1.202 300 G CA 0.549 45.645 45.100 -0.005 0.000 0.788 300 G HN 0.483 nan 8.290 nan 0.000 0.539 301 E N -0.865 119.501 120.200 0.277 0.000 2.170 301 E HA 0.039 4.379 4.350 -0.018 0.000 0.191 301 E C 1.960 178.746 176.600 0.310 0.000 0.981 301 E CA 0.606 57.169 56.400 0.272 0.000 0.830 301 E CB 0.017 29.932 29.700 0.357 0.000 0.775 301 E HN 0.578 nan 8.360 nan 0.000 0.470 302 Y N -0.293 120.198 120.300 0.317 0.000 2.507 302 Y HA 0.296 4.836 4.550 -0.018 0.000 0.263 302 Y C 0.152 176.306 175.900 0.424 0.000 1.093 302 Y CA -0.146 58.226 58.100 0.452 0.000 1.285 302 Y CB 0.490 39.243 38.460 0.488 0.000 1.115 302 Y HN -0.157 nan 8.280 nan 0.000 0.533 303 L N 0.867 122.333 121.223 0.405 0.000 3.272 303 L HA -0.206 4.123 4.340 -0.018 0.000 0.701 303 L C 1.212 178.216 176.870 0.222 0.000 1.155 303 L CA 0.068 55.038 54.840 0.216 0.000 1.249 303 L CB -1.791 40.352 42.059 0.139 0.000 1.796 303 L HN 0.178 nan 8.230 nan 0.000 0.896 304 V N -0.725 119.337 119.914 0.247 0.000 2.380 304 V HA -0.197 3.913 4.120 -0.018 0.000 0.251 304 V C 2.234 178.472 176.094 0.240 0.000 1.063 304 V CA 2.423 64.909 62.300 0.310 0.000 1.055 304 V CB -0.711 31.262 31.823 0.250 0.000 0.657 304 V HN 0.796 nan 8.190 nan 0.000 0.455 305 G N -0.902 107.910 108.800 0.020 0.000 2.432 305 G HA2 -0.309 3.641 3.960 -0.018 0.000 0.219 305 G HA3 -0.309 3.641 3.960 -0.018 0.000 0.219 305 G C 1.570 176.550 174.900 0.134 0.000 1.135 305 G CA 0.902 45.965 45.100 -0.062 0.000 0.767 305 G HN 0.661 nan 8.290 nan 0.000 0.550 306 Q N -0.717 119.061 119.800 -0.036 0.000 2.124 306 Q HA -0.134 4.195 4.340 -0.018 0.000 0.202 306 Q C 1.397 177.237 176.000 -0.267 0.000 0.977 306 Q CA 1.139 56.809 55.803 -0.221 0.000 0.850 306 Q CB -0.151 28.288 28.738 -0.499 0.000 0.901 306 Q HN 0.627 nan 8.270 nan 0.000 0.429 307 Y N -0.187 120.265 120.300 0.253 0.000 2.470 307 Y HA 0.382 4.921 4.550 -0.018 0.000 0.284 307 Y C 0.496 176.568 175.900 0.286 0.000 1.188 307 Y CA -0.217 58.032 58.100 0.248 0.000 1.269 307 Y CB -0.367 38.237 38.460 0.240 0.000 1.094 307 Y HN 0.067 nan 8.280 nan 0.000 0.518 308 A N 1.060 124.122 122.820 0.403 0.000 2.565 308 A HA 0.014 4.323 4.320 -0.018 0.000 0.237 308 A C 0.326 178.109 177.584 0.332 0.000 1.053 308 A CA -0.157 52.156 52.037 0.459 0.000 0.755 308 A CB -0.315 18.975 19.000 0.483 0.000 0.980 308 A HN 0.608 nan 8.150 nan 0.000 0.506 309 N N 0.533 119.435 118.700 0.337 0.000 2.445 309 N HA 0.332 5.061 4.740 -0.018 0.000 0.264 309 N C -0.433 175.176 175.510 0.165 0.000 1.227 309 N CA -0.343 52.842 53.050 0.226 0.000 0.963 309 N CB 0.665 39.273 38.487 0.202 0.000 1.188 309 N HN 0.542 nan 8.380 nan 0.000 0.491 310 S N 1.317 117.072 115.700 0.091 0.000 2.409 310 S HA 0.202 4.661 4.470 -0.018 0.000 0.308 310 S C 0.092 174.699 174.600 0.011 0.000 1.080 310 S CA -0.591 57.625 58.200 0.027 0.000 1.081 310 S CB -0.229 62.966 63.200 -0.009 0.000 1.009 310 S HN 0.283 nan 8.310 nan 0.000 0.502 311 L N 3.941 125.189 121.223 0.041 0.000 2.477 311 L HA 0.167 4.496 4.340 -0.018 0.000 0.272 311 L C 0.484 177.321 176.870 -0.056 0.000 1.157 311 L CA 0.003 54.894 54.840 0.084 0.000 0.889 311 L CB 0.138 42.367 42.059 0.282 0.000 1.158 311 L HN 0.437 nan 8.230 nan 0.000 0.473 312 E N 3.554 123.752 120.200 -0.004 0.000 2.166 312 E HA 0.236 4.576 4.350 -0.018 0.000 0.275 312 E C -0.534 176.115 176.600 0.083 0.000 0.941 312 E CA -1.190 55.189 56.400 -0.034 0.000 0.784 312 E CB 2.237 31.917 29.700 -0.034 0.000 1.115 312 E HN 0.258 nan 8.360 nan 0.000 0.399 313 L N 2.823 124.124 121.223 0.130 0.000 2.698 313 L HA 0.147 4.476 4.340 -0.018 0.000 0.272 313 L C 1.191 178.114 176.870 0.089 0.000 1.154 313 L CA 1.789 56.747 54.840 0.198 0.000 0.964 313 L CB -0.682 41.513 42.059 0.226 0.000 1.272 313 L HN 0.852 nan 8.230 nan 0.000 0.483 314 G N 2.099 110.939 108.800 0.066 0.000 2.799 314 G HA2 -0.284 3.666 3.960 -0.018 0.000 0.200 314 G HA3 -0.284 3.666 3.960 -0.018 0.000 0.200 314 G C 1.064 175.975 174.900 0.017 0.000 1.206 314 G CA 0.002 45.120 45.100 0.031 0.000 0.827 314 G HN 0.632 nan 8.290 nan 0.000 0.511 315 C N 1.182 120.492 119.300 0.016 0.000 2.610 315 C HA 0.178 4.627 4.460 -0.018 0.000 0.285 315 C C 2.318 177.302 174.990 -0.009 0.000 1.267 315 C CA 1.794 60.809 59.018 -0.005 0.000 1.716 315 C CB -0.848 26.883 27.740 -0.016 0.000 2.117 315 C HN 0.620 nan 8.230 nan 0.000 0.481 316 D N -0.915 119.493 120.400 0.013 0.000 2.305 316 D HA 0.068 4.697 4.640 -0.018 0.000 0.206 316 D C 0.064 176.407 176.300 0.072 0.000 0.974 316 D CA 0.830 54.848 54.000 0.030 0.000 0.871 316 D CB 0.192 41.023 40.800 0.050 0.000 0.947 316 D HN 0.438 nan 8.370 nan 0.000 0.516 317 c N 1.596 120.233 118.600 0.062 0.000 2.505 317 c HA 0.471 5.030 4.570 -0.018 0.000 0.342 317 c C -0.575 173.479 174.090 -0.060 0.000 1.121 317 c CA -1.128 55.189 56.329 -0.020 0.000 1.306 317 c CB 1.184 43.687 42.510 -0.012 0.000 1.897 317 c HN 0.156 nan 8.230 nan 0.000 0.446 318 L N 4.000 125.152 121.223 -0.119 0.000 2.317 318 L HA 0.988 5.317 4.340 -0.018 0.000 0.281 318 L C 0.397 177.193 176.870 -0.123 0.000 1.024 318 L CA 1.584 56.377 54.840 -0.079 0.000 0.810 318 L CB 1.076 43.114 42.059 -0.035 0.000 1.240 318 L HN 1.179 nan 8.230 nan 0.000 0.427 319 G N 3.342 112.109 108.800 -0.055 0.000 2.396 319 G HA2 -0.121 3.829 3.960 -0.018 0.000 0.254 319 G HA3 -0.121 3.829 3.960 -0.018 0.000 0.254 319 G C -1.210 173.685 174.900 -0.009 0.000 1.248 319 G CA -0.263 44.825 45.100 -0.020 0.000 1.033 319 G HN 0.764 nan 8.290 nan 0.000 0.502 320 D N 1.354 121.776 120.400 0.036 0.000 2.441 320 D HA 0.409 5.038 4.640 -0.018 0.000 0.221 320 D C 0.369 176.704 176.300 0.059 0.000 1.156 320 D CA -0.232 53.793 54.000 0.041 0.000 0.896 320 D CB 0.077 40.906 40.800 0.049 0.000 1.028 320 D HN 0.359 nan 8.370 nan 0.000 0.509 321 I N 2.343 122.892 120.570 -0.035 0.000 2.428 321 I HA 0.227 4.386 4.170 -0.018 0.000 0.296 321 I C 0.710 176.718 176.117 -0.183 0.000 0.985 321 I CA -0.460 60.744 61.300 -0.160 0.000 1.260 321 I CB 1.497 39.219 38.000 -0.463 0.000 1.389 321 I HN 0.125 nan 8.210 nan 0.000 0.484 322 T N 6.024 120.506 114.554 -0.121 0.000 2.815 322 T HA 0.517 4.856 4.350 -0.018 0.000 0.289 322 T C -0.672 173.953 174.700 -0.124 0.000 1.000 322 T CA -0.312 61.786 62.100 -0.003 0.000 0.958 322 T CB 0.524 69.553 68.868 0.268 0.000 0.944 322 T HN 0.169 nan 8.240 nan 0.000 0.442 323 Y N 2.109 122.468 120.300 0.099 0.000 2.387 323 Y HA 0.654 5.193 4.550 -0.018 0.000 0.330 323 Y C 0.240 176.164 175.900 0.041 0.000 1.133 323 Y CA -1.246 56.892 58.100 0.063 0.000 1.152 323 Y CB 1.045 39.532 38.460 0.045 0.000 1.215 323 Y HN 0.362 nan 8.280 nan 0.000 0.466 324 L N 1.459 122.794 121.223 0.186 0.000 2.342 324 L HA 0.547 4.876 4.340 -0.018 0.000 0.271 324 L C -0.558 176.321 176.870 0.016 0.000 1.008 324 L CA -0.713 54.173 54.840 0.077 0.000 0.818 324 L CB 2.006 44.084 42.059 0.032 0.000 1.296 324 L HN 0.552 nan 8.230 nan 0.000 0.427 325 S N 3.004 118.687 115.700 -0.029 0.000 2.406 325 S HA 0.335 4.794 4.470 -0.018 0.000 0.224 325 S C -2.339 172.176 174.600 -0.142 0.000 1.426 325 S CA -1.042 57.105 58.200 -0.089 0.000 1.179 325 S CB 0.798 63.968 63.200 -0.049 0.000 1.042 325 S HN 0.386 nan 8.310 nan 0.000 0.479 326 P HA 0.205 nan 4.420 nan 0.000 0.270 326 P C -0.753 176.443 177.300 -0.173 0.000 1.223 326 P CA -0.283 62.636 63.100 -0.302 0.000 0.785 326 P CB 0.705 31.919 31.700 -0.810 0.000 0.923 327 V N 3.526 123.407 119.914 -0.055 0.000 2.495 327 V HA 0.461 4.571 4.120 -0.018 0.000 0.298 327 V C 0.652 176.773 176.094 0.043 0.000 1.031 327 V CA -0.541 61.755 62.300 -0.007 0.000 0.871 327 V CB 1.207 33.037 31.823 0.011 0.000 0.988 327 V HN 0.506 nan 8.190 nan 0.000 0.432 328 I N 1.012 121.603 120.570 0.035 0.000 3.294 328 I HA 0.809 4.968 4.170 -0.018 0.000 0.311 328 I C -0.212 175.906 176.117 0.002 0.000 1.111 328 I CA -0.692 60.633 61.300 0.041 0.000 0.976 328 I CB 2.329 40.368 38.000 0.065 0.000 1.260 328 I HN 0.500 nan 8.210 nan 0.000 0.474 329 S N 1.061 116.744 115.700 -0.029 0.000 2.541 329 S HA 0.381 4.840 4.470 -0.018 0.000 0.283 329 S C -0.592 173.984 174.600 -0.039 0.000 1.196 329 S CA -0.587 57.588 58.200 -0.042 0.000 1.062 329 S CB 0.671 63.825 63.200 -0.076 0.000 1.009 329 S HN 0.797 nan 8.310 nan 0.000 0.502 330 D N 2.849 123.237 120.400 -0.020 0.000 2.447 330 D HA 0.372 5.001 4.640 -0.018 0.000 0.265 330 D C 1.140 177.360 176.300 -0.132 0.000 1.250 330 D CA -0.178 53.800 54.000 -0.036 0.000 1.046 330 D CB 0.037 40.859 40.800 0.036 0.000 1.095 330 D HN 0.463 nan 8.370 nan 0.000 0.555 331 A N -1.227 121.414 122.820 -0.298 0.000 2.216 331 A HA 0.018 4.327 4.320 -0.018 0.000 0.214 331 A C 1.130 178.308 177.584 -0.677 0.000 1.160 331 A CA 0.577 52.313 52.037 -0.501 0.000 0.725 331 A CB -0.915 17.709 19.000 -0.628 0.000 0.784 331 A HN 0.440 nan 8.150 nan 0.000 0.472 332 F N -1.684 118.278 119.950 0.020 0.000 2.661 332 F HA 0.407 4.923 4.527 -0.018 0.000 0.306 332 F C 1.702 177.498 175.800 -0.006 0.000 1.094 332 F CA -0.015 57.992 58.000 0.010 0.000 1.254 332 F CB 0.134 39.139 39.000 0.010 0.000 1.040 332 F HN 0.273 nan 8.300 nan 0.000 0.562 333 G N 0.630 109.467 108.800 0.060 0.000 2.176 333 G HA2 -0.300 3.649 3.960 -0.018 0.000 0.253 333 G HA3 -0.300 3.649 3.960 -0.018 0.000 0.253 333 G C -0.022 174.890 174.900 0.021 0.000 0.979 333 G CA -0.170 44.942 45.100 0.020 0.000 0.641 333 G HN 0.427 nan 8.290 nan 0.000 0.530 334 N N 2.179 120.919 118.700 0.067 0.000 2.524 334 N HA 0.529 5.258 4.740 -0.018 0.000 0.283 334 N C -2.339 173.182 175.510 0.019 0.000 1.142 334 N CA -1.212 51.866 53.050 0.046 0.000 0.984 334 N CB 1.387 39.922 38.487 0.081 0.000 1.155 334 N HN 0.121 nan 8.380 nan 0.000 0.467 335 P HA 0.071 nan 4.420 nan 0.000 0.276 335 P C -0.955 176.351 177.300 0.010 0.000 1.230 335 P CA 0.028 63.126 63.100 -0.004 0.000 0.776 335 P CB 0.822 32.514 31.700 -0.013 0.000 0.888 336 R N 2.779 123.284 120.500 0.009 0.000 2.483 336 R HA 0.201 4.530 4.340 -0.018 0.000 0.303 336 R C -0.299 176.001 176.300 0.001 0.000 0.987 336 R CA -0.498 55.610 56.100 0.014 0.000 0.881 336 R CB 1.361 31.674 30.300 0.022 0.000 1.177 336 R HN 0.588 nan 8.270 nan 0.000 0.451 337 E N 5.199 125.395 120.200 -0.006 0.000 2.301 337 E HA 0.173 4.512 4.350 -0.018 0.000 0.275 337 E C -0.624 175.955 176.600 -0.036 0.000 1.030 337 E CA -0.401 55.982 56.400 -0.028 0.000 0.852 337 E CB 0.921 30.606 29.700 -0.025 0.000 1.060 337 E HN 0.531 nan 8.360 nan 0.000 0.401 338 I N 5.185 125.708 120.570 -0.079 0.000 2.313 338 I HA 0.215 4.374 4.170 -0.018 0.000 0.286 338 I C 0.617 176.678 176.117 -0.094 0.000 1.091 338 I CA -0.477 60.774 61.300 -0.083 0.000 1.216 338 I CB 0.434 38.343 38.000 -0.152 0.000 1.434 338 I HN 0.426 nan 8.210 nan 0.000 0.487 339 R N 6.091 126.555 120.500 -0.060 0.000 2.458 339 R HA 0.002 4.331 4.340 -0.018 0.000 0.303 339 R C 0.218 176.460 176.300 -0.096 0.000 1.013 339 R CA 0.243 56.300 56.100 -0.072 0.000 1.026 339 R CB 0.205 30.467 30.300 -0.063 0.000 0.948 339 R HN 0.598 nan 8.270 nan 0.000 0.417 340 N N 2.249 120.885 118.700 -0.106 0.000 2.735 340 N HA -0.178 4.552 4.740 -0.018 0.000 0.248 340 N C 0.642 176.161 175.510 0.014 0.000 1.083 340 N CA 1.118 54.093 53.050 -0.125 0.000 0.703 340 N CB -1.330 36.842 38.487 -0.526 0.000 1.005 340 N HN 0.894 nan 8.380 nan 0.000 0.550 341 G N -0.875 107.915 108.800 -0.015 0.000 2.572 341 G HA2 0.173 4.122 3.960 -0.018 0.000 0.216 341 G HA3 0.173 4.122 3.960 -0.018 0.000 0.216 341 G C 0.554 175.519 174.900 0.108 0.000 1.133 341 G CA 0.252 45.361 45.100 0.015 0.000 0.791 341 G HN 0.456 nan 8.290 nan 0.000 0.538 342 I N 0.299 120.927 120.570 0.098 0.000 2.389 342 I HA 0.301 4.460 4.170 -0.018 0.000 0.288 342 I C -0.772 175.472 176.117 0.212 0.000 0.999 342 I CA -0.909 60.482 61.300 0.152 0.000 1.129 342 I CB 2.214 40.245 38.000 0.051 0.000 1.288 342 I HN -0.093 nan 8.210 nan 0.000 0.444 343 c N 8.416 127.128 118.600 0.186 0.000 2.303 343 c HA 0.724 5.284 4.570 -0.018 0.000 0.326 343 c C -0.253 173.846 174.090 0.015 0.000 1.285 343 c CA -0.456 55.930 56.329 0.096 0.000 1.675 343 c CB 0.069 42.678 42.510 0.166 0.000 2.289 343 c HN 0.791 nan 8.230 nan 0.000 0.512 344 M N 7.871 127.432 119.600 -0.064 0.000 2.327 344 M HA 0.558 5.028 4.480 -0.018 0.000 0.298 344 M C -0.655 175.609 176.300 -0.060 0.000 1.065 344 M CA -0.216 54.981 55.300 -0.172 0.000 0.916 344 M CB 2.031 34.465 32.600 -0.276 0.000 1.630 344 M HN 0.943 nan 8.290 nan 0.000 0.442 345 H N 0.804 119.681 119.070 -0.320 0.000 2.950 345 H HA 0.470 5.016 4.556 -0.018 0.000 0.307 345 H C -2.096 173.104 175.328 -0.212 0.000 1.403 345 H CA -1.063 54.937 56.048 -0.081 0.000 1.145 345 H CB 1.075 30.832 29.762 -0.007 0.000 1.844 345 H HN 0.742 nan 8.280 nan 0.000 0.515 346 E N 1.028 121.229 120.200 0.001 0.000 2.207 346 E HA 0.517 4.856 4.350 -0.018 0.000 0.270 346 E C -0.893 175.738 176.600 0.052 0.000 0.927 346 E CA -0.957 55.349 56.400 -0.156 0.000 0.799 346 E CB 2.738 32.497 29.700 0.098 0.000 1.172 346 E HN 0.717 nan 8.360 nan 0.000 0.404 347 E N 1.721 121.921 120.200 -0.000 0.000 2.343 347 E HA 0.284 4.623 4.350 -0.018 0.000 0.270 347 E C -1.340 175.387 176.600 0.212 0.000 0.895 347 E CA -1.062 55.424 56.400 0.144 0.000 0.767 347 E CB 1.580 31.382 29.700 0.169 0.000 1.248 347 E HN 0.517 nan 8.360 nan 0.000 0.440 348 D N 1.178 121.718 120.400 0.233 0.000 2.414 348 D HA -0.037 4.592 4.640 -0.018 0.000 0.242 348 D C -0.975 175.551 176.300 0.377 0.000 1.129 348 D CA 0.051 54.199 54.000 0.246 0.000 0.885 348 D CB 0.542 41.434 40.800 0.154 0.000 1.198 348 D HN 0.528 nan 8.370 nan 0.000 0.437 349 W N 5.664 127.008 121.300 0.073 0.000 1.187 349 W HA 0.364 5.013 4.660 -0.018 0.000 0.297 349 W C 0.277 176.827 176.519 0.051 0.000 0.842 349 W CA 0.086 57.471 57.345 0.067 0.000 2.286 349 W CB 0.156 29.700 29.460 0.139 0.000 1.736 349 W HN 0.845 nan 8.180 nan 0.000 0.507 350 G N 1.922 110.675 108.800 -0.078 0.000 2.528 350 G HA2 -0.322 3.627 3.960 -0.018 0.000 0.262 350 G HA3 -0.322 3.627 3.960 -0.018 0.000 0.262 350 G C -0.485 174.398 174.900 -0.029 0.000 1.200 350 G CA 0.008 45.033 45.100 -0.124 0.000 0.951 350 G HN 0.053 nan 8.290 nan 0.000 0.566 351 I N 1.418 121.958 120.570 -0.049 0.000 2.428 351 I HA 0.314 4.474 4.170 -0.018 0.000 0.289 351 I C 1.521 177.657 176.117 0.032 0.000 1.019 351 I CA -0.239 61.055 61.300 -0.010 0.000 1.351 351 I CB 0.937 38.923 38.000 -0.024 0.000 1.412 351 I HN 0.642 nan 8.210 nan 0.000 0.513 352 L N 6.114 127.371 121.223 0.056 0.000 2.200 352 L HA 0.482 4.811 4.340 -0.018 0.000 0.200 352 L C 0.607 177.524 176.870 0.078 0.000 1.072 352 L CA 1.061 55.953 54.840 0.088 0.000 0.787 352 L CB 0.110 42.229 42.059 0.101 0.000 0.957 352 L HN 0.718 nan 8.230 nan 0.000 0.459 353 A N -0.685 122.186 122.820 0.085 0.000 2.594 353 A HA 0.671 4.980 4.320 -0.018 0.000 0.296 353 A C -1.094 176.595 177.584 0.176 0.000 1.061 353 A CA -0.610 51.509 52.037 0.137 0.000 0.689 353 A CB 1.099 20.225 19.000 0.210 0.000 1.280 353 A HN 0.041 nan 8.150 nan 0.000 0.406 354 K N 0.385 120.904 120.400 0.198 0.000 2.557 354 K HA 0.596 4.906 4.320 -0.018 0.000 0.261 354 K C -2.121 174.632 176.600 0.255 0.000 0.932 354 K CA -0.539 55.880 56.287 0.219 0.000 0.829 354 K CB 1.877 34.433 32.500 0.093 0.000 1.358 354 K HN 1.090 nan 8.250 nan 0.000 0.430 355 H N -0.020 119.131 119.070 0.135 0.000 3.137 355 H HA 0.349 4.894 4.556 -0.018 0.000 0.336 355 H C -1.915 173.438 175.328 0.043 0.000 1.055 355 H CA -0.364 55.712 56.048 0.047 0.000 1.349 355 H CB 1.707 31.466 29.762 -0.004 0.000 1.939 355 H HN 0.397 nan 8.280 nan 0.000 0.487 356 S N 3.995 119.343 115.700 -0.587 0.000 2.448 356 S HA 0.185 4.645 4.470 -0.018 0.000 0.320 356 S C -0.765 173.375 174.600 -0.766 0.000 1.071 356 S CA -0.616 57.321 58.200 -0.439 0.000 1.113 356 S CB 0.548 63.597 63.200 -0.252 0.000 0.972 356 S HN 0.636 nan 8.310 nan 0.000 0.465 357 D N 2.203 122.308 120.400 -0.492 0.000 2.232 357 D HA 0.320 4.949 4.640 -0.018 0.000 0.242 357 D C 0.910 177.116 176.300 -0.157 0.000 1.093 357 D CA -0.604 53.224 54.000 -0.287 0.000 0.845 357 D CB 0.933 41.767 40.800 0.057 0.000 1.124 357 D HN 0.260 nan 8.370 nan 0.000 0.467 358 L N 5.401 126.488 121.223 -0.226 0.000 1.976 358 L HA -0.030 4.299 4.340 -0.018 0.000 0.209 358 L C 1.505 178.400 176.870 0.042 0.000 1.071 358 L CA 1.567 56.317 54.840 -0.151 0.000 0.746 358 L CB -0.508 41.383 42.059 -0.281 0.000 0.890 358 L HN 0.604 nan 8.230 nan 0.000 0.432 359 W N -0.010 121.299 121.300 0.015 0.000 2.321 359 W HA -0.202 4.453 4.660 -0.007 0.000 0.306 359 W C 2.983 179.510 176.519 0.012 0.000 1.217 359 W CA 1.720 59.073 57.345 0.015 0.000 1.257 359 W CB -1.922 27.550 29.460 0.021 0.000 1.145 359 W HN 0.575 nan 8.180 nan 0.000 0.509 360 S N -1.107 114.737 115.700 0.241 0.000 2.503 360 S HA 0.311 4.770 4.470 -0.018 0.000 0.217 360 S C 1.757 176.410 174.600 0.089 0.000 0.999 360 S CA 0.867 59.154 58.200 0.144 0.000 0.914 360 S CB -0.007 63.268 63.200 0.125 0.000 0.782 360 S HN 0.471 nan 8.310 nan 0.000 0.520 361 G N 1.122 109.962 108.800 0.067 0.000 2.162 361 G HA2 -0.236 3.713 3.960 -0.018 0.000 0.260 361 G HA3 -0.236 3.713 3.960 -0.018 0.000 0.260 361 G C -0.007 174.907 174.900 0.023 0.000 0.976 361 G CA 0.403 45.524 45.100 0.034 0.000 0.655 361 G HN 0.608 nan 8.290 nan 0.000 0.533 362 I N 1.045 121.634 120.570 0.031 0.000 2.331 362 I HA 0.300 4.459 4.170 -0.018 0.000 0.292 362 I C -0.399 175.734 176.117 0.026 0.000 0.998 362 I CA -0.853 60.472 61.300 0.042 0.000 1.267 362 I CB 1.157 39.196 38.000 0.065 0.000 1.386 362 I HN -0.061 nan 8.210 nan 0.000 0.476 363 N N 6.067 124.791 118.700 0.041 0.000 2.408 363 N HA 0.349 5.078 4.740 -0.018 0.000 0.280 363 N C -1.368 174.223 175.510 0.136 0.000 1.002 363 N CA -0.399 52.672 53.050 0.035 0.000 0.907 363 N CB 1.666 40.154 38.487 0.000 0.000 1.161 363 N HN 0.440 nan 8.380 nan 0.000 0.488 364 Y N 0.939 121.233 120.300 -0.010 0.000 2.406 364 Y HA 0.526 5.067 4.550 -0.015 0.000 0.340 364 Y C -1.084 174.825 175.900 0.014 0.000 0.975 364 Y CA -0.368 57.740 58.100 0.014 0.000 1.056 364 Y CB 1.581 40.066 38.460 0.042 0.000 1.210 364 Y HN 0.381 nan 8.280 nan 0.000 0.448 365 T N 6.385 120.764 114.554 -0.291 0.000 2.993 365 T HA 0.605 4.944 4.350 -0.018 0.000 0.312 365 T C -1.345 173.113 174.700 -0.403 0.000 1.115 365 T CA -1.074 60.884 62.100 -0.238 0.000 1.027 365 T CB 1.476 70.276 68.868 -0.113 0.000 1.116 365 T HN 0.403 nan 8.240 nan 0.000 0.464 366 R N 1.607 121.945 120.500 -0.270 0.000 2.686 366 R HA 0.510 4.839 4.340 -0.018 0.000 0.283 366 R C -0.491 175.775 176.300 -0.058 0.000 0.978 366 R CA -0.888 55.094 56.100 -0.197 0.000 0.897 366 R CB 2.027 32.220 30.300 -0.178 0.000 1.192 366 R HN 0.528 nan 8.270 nan 0.000 0.457 367 R N 1.498 121.984 120.500 -0.023 0.000 2.410 367 R HA 0.266 4.596 4.340 -0.018 0.000 0.288 367 R C 0.258 176.616 176.300 0.096 0.000 1.051 367 R CA -0.683 55.437 56.100 0.034 0.000 1.021 367 R CB 0.878 31.201 30.300 0.038 0.000 1.032 367 R HN 0.405 nan 8.270 nan 0.000 0.481 368 N N 1.404 120.195 118.700 0.151 0.000 2.482 368 N HA 0.382 5.111 4.740 -0.018 0.000 0.279 368 N C -0.776 174.934 175.510 0.333 0.000 1.182 368 N CA -0.250 52.956 53.050 0.259 0.000 0.969 368 N CB 1.089 39.770 38.487 0.324 0.000 1.201 368 N HN 0.425 nan 8.380 nan 0.000 0.523 369 R N -0.393 120.361 120.500 0.423 0.000 2.692 369 R HA 0.444 4.773 4.340 -0.018 0.000 0.269 369 R C -1.032 175.517 176.300 0.415 0.000 1.030 369 R CA -0.815 55.544 56.100 0.432 0.000 0.882 369 R CB 2.207 32.799 30.300 0.486 0.000 1.250 369 R HN 0.731 nan 8.270 nan 0.000 0.465 370 R N 0.946 121.483 120.500 0.062 0.000 2.698 370 R HA 0.557 4.886 4.340 -0.018 0.000 0.275 370 R C -1.283 174.535 176.300 -0.805 0.000 1.001 370 R CA -1.027 54.787 56.100 -0.477 0.000 0.896 370 R CB 1.722 31.333 30.300 -1.149 0.000 1.218 370 R HN 0.400 nan 8.270 nan 0.000 0.462 371 M N 2.778 121.559 119.600 -1.365 0.000 2.144 371 M HA 0.316 4.785 4.480 -0.018 0.000 0.356 371 M C -1.544 174.230 176.300 -0.878 0.000 1.217 371 M CA -0.619 53.818 55.300 -1.437 0.000 1.087 371 M CB 1.661 33.165 32.600 -1.826 0.000 1.609 371 M HN 0.515 nan 8.290 nan 0.000 0.467 372 V N 7.284 126.728 119.914 -0.784 0.000 2.417 372 V HA 0.538 4.648 4.120 -0.018 0.000 0.291 372 V C -0.380 175.431 176.094 -0.472 0.000 1.024 372 V CA -0.542 61.435 62.300 -0.538 0.000 0.861 372 V CB 1.385 32.874 31.823 -0.556 0.000 0.985 372 V HN 0.781 nan 8.190 nan 0.000 0.436 373 I N 4.924 125.308 120.570 -0.309 0.000 2.439 373 I HA 0.586 4.745 4.170 -0.018 0.000 0.283 373 I C -0.011 176.073 176.117 -0.056 0.000 1.023 373 I CA 0.055 61.252 61.300 -0.171 0.000 1.100 373 I CB 1.784 39.698 38.000 -0.144 0.000 1.238 373 I HN 0.786 nan 8.210 nan 0.000 0.445 374 S N 5.764 121.441 115.700 -0.037 0.000 2.651 374 S HA 0.883 5.343 4.470 -0.018 0.000 0.279 374 S C -0.893 173.796 174.600 0.148 0.000 1.148 374 S CA -0.723 57.409 58.200 -0.113 0.000 0.837 374 S CB 2.671 65.491 63.200 -0.633 0.000 1.138 374 S HN 0.520 nan 8.310 nan 0.000 0.478 375 F N -1.269 118.636 119.950 -0.074 0.000 2.678 375 F HA 0.851 5.368 4.527 -0.018 0.000 0.308 375 F C -2.231 173.658 175.800 0.148 0.000 1.118 375 F CA -1.513 56.553 58.000 0.112 0.000 0.959 375 F CB 0.747 39.871 39.000 0.206 0.000 1.305 375 F HN 0.609 nan 8.300 nan 0.000 0.443 376 F N 1.225 121.222 119.950 0.078 0.000 2.522 376 F HA 0.756 5.273 4.527 -0.018 0.000 0.324 376 F C 0.014 175.948 175.800 0.223 0.000 1.077 376 F CA -0.404 57.619 58.000 0.039 0.000 0.944 376 F CB 2.348 41.385 39.000 0.062 0.000 1.175 376 F HN 0.848 nan 8.300 nan 0.000 0.468 377 T N 1.575 116.401 114.554 0.453 0.000 2.906 377 T HA 0.622 4.961 4.350 -0.018 0.000 0.295 377 T C -1.324 173.631 174.700 0.425 0.000 1.075 377 T CA -0.386 62.012 62.100 0.496 0.000 1.005 377 T CB 1.390 70.593 68.868 0.558 0.000 1.136 377 T HN 0.556 nan 8.240 nan 0.000 0.498 378 T N 4.235 118.994 114.554 0.340 0.000 2.906 378 T HA 0.483 4.823 4.350 -0.018 0.000 0.302 378 T C -0.707 174.041 174.700 0.080 0.000 1.002 378 T CA -0.531 61.669 62.100 0.168 0.000 0.988 378 T CB 0.400 69.345 68.868 0.127 0.000 0.972 378 T HN 0.404 nan 8.240 nan 0.000 0.447 379 I N 3.937 124.498 120.570 -0.015 0.000 2.442 379 I HA 0.401 4.560 4.170 -0.018 0.000 0.279 379 I C 1.331 177.340 176.117 -0.179 0.000 1.081 379 I CA 0.164 61.382 61.300 -0.138 0.000 1.197 379 I CB -0.374 37.580 38.000 -0.076 0.000 1.394 379 I HN 0.963 nan 8.210 nan 0.000 0.488 380 G N 6.812 115.527 108.800 -0.142 0.000 2.595 380 G HA2 -0.306 3.643 3.960 -0.018 0.000 0.297 380 G HA3 -0.306 3.643 3.960 -0.018 0.000 0.297 380 G C 0.427 175.254 174.900 -0.122 0.000 1.181 380 G CA 0.421 45.510 45.100 -0.019 0.000 0.963 380 G HN 0.639 nan 8.290 nan 0.000 0.541 384 Y N 0.302 120.633 120.300 0.051 0.000 2.409 384 Y HA 0.730 5.269 4.550 -0.018 0.000 0.343 384 Y C 0.783 175.985 175.900 -1.162 0.000 0.973 384 Y CA -1.056 56.816 58.100 -0.379 0.000 1.064 384 Y CB 2.498 40.796 38.460 -0.271 0.000 1.207 384 Y HN 0.436 nan 8.280 nan 0.000 0.452 385 G N 2.270 110.272 108.800 -1.330 0.000 2.416 385 G HA2 0.593 4.542 3.960 -0.018 0.000 0.324 385 G HA3 0.593 4.542 3.960 -0.018 0.000 0.324 385 G C -1.725 172.616 174.900 -0.933 0.000 1.194 385 G CA -0.444 43.687 45.100 -1.615 0.000 0.922 385 G HN 0.342 nan 8.290 nan 0.000 0.467 386 F N 1.606 120.984 119.950 -0.953 0.000 2.426 386 F HA 0.512 5.028 4.527 -0.018 0.000 0.348 386 F C -0.700 174.621 175.800 -0.799 0.000 1.124 386 F CA -0.711 56.906 58.000 -0.638 0.000 1.008 386 F CB 1.847 40.590 39.000 -0.428 0.000 1.139 386 F HN 0.308 nan 8.300 nan 0.000 0.452 387 Y N 1.332 121.133 120.300 -0.832 0.000 2.391 387 Y HA 0.425 4.965 4.550 -0.018 0.000 0.341 387 Y C -1.113 174.032 175.900 -1.258 0.000 0.965 387 Y CA -1.677 55.888 58.100 -0.891 0.000 1.067 387 Y CB 1.338 39.205 38.460 -0.988 0.000 1.199 387 Y HN 0.524 nan 8.280 nan 0.000 0.450 388 W N 3.182 124.127 121.300 -0.592 0.000 2.573 388 W HA 0.628 5.277 4.660 -0.018 0.000 0.326 388 W C -1.366 174.687 176.519 -0.777 0.000 1.049 388 W CA -0.676 56.371 57.345 -0.496 0.000 1.220 388 W CB 1.185 30.512 29.460 -0.222 0.000 1.373 388 W HN 0.335 nan 8.180 nan 0.000 0.507 389 Y N 2.809 122.987 120.300 -0.204 0.000 2.462 389 Y HA 0.660 5.199 4.550 -0.018 0.000 0.346 389 Y C -0.304 175.260 175.900 -0.560 0.000 0.976 389 Y CA -1.534 56.253 58.100 -0.521 0.000 1.044 389 Y CB 1.282 39.319 38.460 -0.705 0.000 1.230 389 Y HN 0.048 nan 8.280 nan 0.000 0.455 390 L N 3.860 124.703 121.223 -0.634 0.000 2.356 390 L HA 0.524 4.853 4.340 -0.018 0.000 0.277 390 L C -1.338 175.314 176.870 -0.363 0.000 0.996 390 L CA -0.824 53.595 54.840 -0.701 0.000 0.822 390 L CB 1.345 42.702 42.059 -1.171 0.000 1.256 390 L HN 0.593 nan 8.230 nan 0.000 0.413 391 Y N 2.029 122.481 120.300 0.253 0.000 2.457 391 Y HA 0.317 4.856 4.550 -0.018 0.000 0.333 391 Y C 1.199 177.564 175.900 0.775 0.000 1.119 391 Y CA -0.794 57.583 58.100 0.462 0.000 1.143 391 Y CB 1.581 40.194 38.460 0.254 0.000 1.230 391 Y HN 0.446 nan 8.280 nan 0.000 0.469 392 L N 0.967 122.632 121.223 0.738 0.000 2.089 392 L HA -0.258 4.072 4.340 -0.018 0.000 0.213 392 L C 1.775 178.876 176.870 0.384 0.000 1.079 392 L CA 1.897 57.006 54.840 0.449 0.000 0.758 392 L CB -0.247 41.959 42.059 0.246 0.000 0.891 392 L HN 0.780 nan 8.230 nan 0.000 0.433 393 D N -0.593 120.011 120.400 0.340 0.000 2.328 393 D HA -0.001 4.628 4.640 -0.018 0.000 0.226 393 D C 1.367 177.709 176.300 0.070 0.000 1.066 393 D CA 0.841 54.910 54.000 0.116 0.000 0.861 393 D CB 0.416 41.262 40.800 0.078 0.000 0.912 393 D HN 0.359 nan 8.370 nan 0.000 0.521 394 G N -0.104 108.920 108.800 0.373 0.000 2.175 394 G HA2 -0.242 3.708 3.960 -0.018 0.000 0.244 394 G HA3 -0.242 3.708 3.960 -0.018 0.000 0.244 394 G C 0.365 175.739 174.900 0.791 0.000 0.982 394 G CA 0.264 45.620 45.100 0.426 0.000 0.641 394 G HN 0.442 nan 8.290 nan 0.000 0.527 395 T N 1.067 116.016 114.554 0.659 0.000 2.869 395 T HA 0.593 4.932 4.350 -0.018 0.000 0.295 395 T C 0.464 175.536 174.700 0.620 0.000 0.987 395 T CA 0.329 62.751 62.100 0.536 0.000 1.109 395 T CB 1.398 70.401 68.868 0.224 0.000 0.932 395 T HN 0.321 nan 8.240 nan 0.000 0.518 396 I N 2.645 123.502 120.570 0.478 0.000 2.406 396 I HA 0.456 4.616 4.170 -0.018 0.000 0.290 396 I C 0.141 176.401 176.117 0.239 0.000 0.999 396 I CA -0.561 60.910 61.300 0.285 0.000 1.124 396 I CB 1.775 39.917 38.000 0.236 0.000 1.289 396 I HN 0.591 nan 8.210 nan 0.000 0.441 397 E N 5.771 126.075 120.200 0.174 0.000 2.367 397 E HA 0.504 4.843 4.350 -0.018 0.000 0.273 397 E C -1.976 174.455 176.600 -0.282 0.000 0.903 397 E CA -0.675 55.725 56.400 -0.001 0.000 0.764 397 E CB 2.698 32.538 29.700 0.233 0.000 1.252 397 E HN 0.409 nan 8.360 nan 0.000 0.446 398 F N 2.177 121.573 119.950 -0.924 0.000 2.532 398 F HA 0.492 5.008 4.527 -0.018 0.000 0.321 398 F C -1.180 174.116 175.800 -0.841 0.000 1.089 398 F CA -0.519 56.760 58.000 -1.202 0.000 0.926 398 F CB 1.801 39.772 39.000 -1.714 0.000 1.168 398 F HN 0.499 nan 8.300 nan 0.000 0.459 399 E N 4.252 123.372 120.200 -1.799 0.000 2.275 399 E HA 0.700 5.040 4.350 -0.018 0.000 0.270 399 E C -1.930 173.851 176.600 -1.365 0.000 0.882 399 E CA -0.982 54.721 56.400 -1.162 0.000 0.758 399 E CB 1.791 31.202 29.700 -0.482 0.000 1.195 399 E HN 0.861 nan 8.360 nan 0.000 0.419 400 A N 4.511 126.774 122.820 -0.929 0.000 2.304 400 A HA 0.537 4.846 4.320 -0.018 0.000 0.323 400 A C -0.826 176.472 177.584 -0.477 0.000 1.195 400 A CA -0.722 50.827 52.037 -0.813 0.000 0.826 400 A CB 0.824 19.186 19.000 -1.063 0.000 1.184 400 A HN 0.558 nan 8.150 nan 0.000 0.496 401 K N 1.807 121.976 120.400 -0.385 0.000 2.339 401 K HA 0.561 4.871 4.320 -0.018 0.000 0.264 401 K C -0.512 176.014 176.600 -0.123 0.000 0.986 401 K CA -0.255 55.907 56.287 -0.207 0.000 0.866 401 K CB 2.029 34.461 32.500 -0.113 0.000 1.103 401 K HN 0.736 nan 8.250 nan 0.000 0.441 402 A N 2.629 125.400 122.820 -0.081 0.000 2.274 402 A HA 0.519 4.828 4.320 -0.018 0.000 0.309 402 A C -0.014 177.498 177.584 -0.120 0.000 1.226 402 A CA -0.189 51.798 52.037 -0.085 0.000 0.853 402 A CB 1.173 20.060 19.000 -0.188 0.000 1.146 402 A HN 0.685 nan 8.150 nan 0.000 0.518 403 T N 0.897 115.368 114.554 -0.138 0.000 2.587 403 T HA 0.805 5.144 4.350 -0.018 0.000 0.282 403 T C 0.412 175.004 174.700 -0.181 0.000 1.018 403 T CA 1.048 63.084 62.100 -0.108 0.000 1.120 403 T CB 0.686 69.532 68.868 -0.036 0.000 1.538 403 T HN 2.635 nan 8.240 nan 0.000 0.480 404 G N -0.141 108.549 108.800 -0.183 0.000 2.451 404 G HA2 0.021 3.970 3.960 -0.018 0.000 0.208 404 G HA3 0.021 3.970 3.960 -0.018 0.000 0.208 404 G C -1.174 173.583 174.900 -0.239 0.000 1.248 404 G CA -0.218 44.742 45.100 -0.235 0.000 0.989 404 G HN 1.352 nan 8.290 nan 0.000 0.559 405 V N 0.321 120.054 119.914 -0.301 0.000 2.555 405 V HA 0.606 4.715 4.120 -0.018 0.000 0.302 405 V C 1.020 176.984 176.094 -0.217 0.000 1.038 405 V CA -0.711 61.434 62.300 -0.258 0.000 0.887 405 V CB 1.483 33.080 31.823 -0.376 0.000 0.991 405 V HN 0.910 nan 8.190 nan 0.000 0.434 406 V N 4.213 124.154 119.914 0.046 0.000 2.740 406 V HA 0.079 4.189 4.120 -0.018 0.000 0.303 406 V C 0.009 176.152 176.094 0.081 0.000 1.054 406 V CA 0.177 62.548 62.300 0.119 0.000 1.106 406 V CB 0.791 32.762 31.823 0.248 0.000 0.957 406 V HN 0.680 nan 8.190 nan 0.000 0.486 407 F N 4.812 124.736 119.950 -0.044 0.000 2.467 407 F HA 0.374 4.891 4.527 -0.018 0.000 0.362 407 F C 0.885 176.779 175.800 0.158 0.000 1.090 407 F CA -0.093 57.922 58.000 0.025 0.000 1.202 407 F CB 0.833 39.821 39.000 -0.019 0.000 1.113 407 F HN 0.681 nan 8.300 nan 0.000 0.541 408 T N 1.648 116.223 114.554 0.035 0.000 2.936 408 T HA 0.827 5.166 4.350 -0.018 0.000 0.282 408 T C -0.165 174.603 174.700 0.114 0.000 1.003 408 T CA -0.253 61.911 62.100 0.106 0.000 1.005 408 T CB 1.645 70.543 68.868 0.051 0.000 1.097 408 T HN 0.704 nan 8.240 nan 0.000 0.532 409 S N -0.408 115.306 115.700 0.022 0.000 2.790 409 S HA 0.792 5.251 4.470 -0.018 0.000 0.292 409 S C -0.657 173.875 174.600 -0.114 0.000 1.197 409 S CA -0.799 57.358 58.200 -0.072 0.000 0.851 409 S CB 0.791 63.955 63.200 -0.059 0.000 1.217 409 S HN 1.409 nan 8.310 nan 0.000 0.526 410 A N 0.424 123.108 122.820 -0.227 0.000 2.302 410 A HA 0.717 5.026 4.320 -0.018 0.000 0.285 410 A C -0.864 176.695 177.584 -0.042 0.000 1.105 410 A CA -0.454 51.495 52.037 -0.145 0.000 0.816 410 A CB -0.037 18.810 19.000 -0.256 0.000 1.067 410 A HN 0.934 nan 8.150 nan 0.000 0.489 411 F N 2.878 122.788 119.950 -0.066 0.000 2.404 411 F HA 0.519 5.035 4.527 -0.018 0.000 0.358 411 F C -2.124 173.698 175.800 0.037 0.000 1.120 411 F CA -2.572 55.406 58.000 -0.037 0.000 1.144 411 F CB 0.801 39.779 39.000 -0.037 0.000 1.133 411 F HN 0.312 nan 8.300 nan 0.000 0.495 412 P HA -0.024 nan 4.420 nan 0.000 0.266 412 P C 0.437 177.521 177.300 -0.360 0.000 1.193 412 P CA 0.290 63.194 63.100 -0.327 0.000 0.770 412 P CB 0.720 32.217 31.700 -0.339 0.000 0.836 413 E N 2.546 122.673 120.200 -0.122 0.000 2.033 413 E HA -0.153 4.186 4.350 -0.018 0.000 0.199 413 E C 1.755 178.306 176.600 -0.081 0.000 1.011 413 E CA 2.112 58.473 56.400 -0.064 0.000 0.815 413 E CB -1.051 28.623 29.700 -0.044 0.000 0.755 413 E HN 0.588 nan 8.360 nan 0.000 0.451 414 G N -0.735 108.005 108.800 -0.100 0.000 3.295 414 G HA2 0.383 4.333 3.960 -0.018 0.000 0.231 414 G HA3 0.383 4.333 3.960 -0.018 0.000 0.231 414 G C 0.501 175.343 174.900 -0.097 0.000 1.277 414 G CA 0.267 45.325 45.100 -0.071 0.000 1.013 414 G HN 0.621 nan 8.290 nan 0.000 0.509 415 G N -1.036 107.638 108.800 -0.210 0.000 2.855 415 G HA2 0.156 4.106 3.960 -0.018 0.000 0.352 415 G HA3 0.156 4.106 3.960 -0.018 0.000 0.352 415 G C -0.259 174.465 174.900 -0.294 0.000 1.415 415 G CA -0.022 44.960 45.100 -0.197 0.000 0.871 415 G HN 1.314 nan 8.290 nan 0.000 0.543 416 S N -1.250 114.391 115.700 -0.099 0.000 2.537 416 S HA 0.585 5.044 4.470 -0.018 0.000 0.271 416 S C -0.168 174.446 174.600 0.024 0.000 1.148 416 S CA 0.268 58.414 58.200 -0.090 0.000 0.868 416 S CB 1.738 64.818 63.200 -0.200 0.000 1.115 416 S HN 0.587 nan 8.310 nan 0.000 0.461 417 D N 2.457 122.857 120.400 -0.001 0.000 2.339 417 D HA 0.202 4.832 4.640 -0.018 0.000 0.217 417 D C 0.355 176.672 176.300 0.028 0.000 1.050 417 D CA 0.497 54.542 54.000 0.075 0.000 0.856 417 D CB 0.041 40.888 40.800 0.078 0.000 0.922 417 D HN 0.607 nan 8.370 nan 0.000 0.518 418 N N -0.740 117.791 118.700 -0.282 0.000 2.116 418 N HA 0.264 4.993 4.740 -0.018 0.000 0.230 418 N C -0.363 174.403 175.510 -1.240 0.000 1.326 418 N CA -0.028 52.645 53.050 -0.628 0.000 0.867 418 N CB 1.768 40.142 38.487 -0.189 0.000 1.174 418 N HN -0.022 nan 8.380 nan 0.000 0.506 419 I N 0.266 120.262 120.570 -0.956 0.000 2.802 419 I HA 0.385 4.545 4.170 -0.018 0.000 0.298 419 I C -0.783 175.300 176.117 -0.057 0.000 1.176 419 I CA -0.960 60.053 61.300 -0.478 0.000 1.025 419 I CB 2.258 40.216 38.000 -0.070 0.000 1.243 419 I HN -0.045 nan 8.210 nan 0.000 0.424 420 S N 3.372 119.163 115.700 0.152 0.000 2.607 420 S HA 0.532 4.992 4.470 -0.018 0.000 0.303 420 S C -0.870 173.617 174.600 -0.188 0.000 1.086 420 S CA -0.819 57.471 58.200 0.149 0.000 0.995 420 S CB 2.135 65.538 63.200 0.339 0.000 1.084 420 S HN 0.661 nan 8.310 nan 0.000 0.507 421 Q N 0.704 120.111 119.800 -0.655 0.000 2.274 421 Q HA 0.460 4.789 4.340 -0.018 0.000 0.256 421 Q C -0.141 175.647 176.000 -0.352 0.000 0.927 421 Q CA -0.496 54.835 55.803 -0.787 0.000 0.939 421 Q CB 0.818 28.801 28.738 -1.257 0.000 1.201 421 Q HN 0.854 nan 8.270 nan 0.000 0.426 422 L N 1.965 123.005 121.223 -0.306 0.000 2.500 422 L HA 0.502 4.832 4.340 -0.018 0.000 0.219 422 L C 0.432 177.162 176.870 -0.234 0.000 1.057 422 L CA 0.111 54.803 54.840 -0.246 0.000 0.854 422 L CB 0.519 42.317 42.059 -0.436 0.000 1.078 422 L HN 0.608 nan 8.230 nan 0.000 0.480 423 A N -0.948 121.702 122.820 -0.282 0.000 2.568 423 A HA 0.686 4.995 4.320 -0.018 0.000 0.291 423 A C -2.755 174.763 177.584 -0.110 0.000 1.159 423 A CA -1.079 50.868 52.037 -0.149 0.000 0.679 423 A CB 0.448 19.346 19.000 -0.169 0.000 1.285 423 A HN -0.229 nan 8.150 nan 0.000 0.428 424 P HA 0.345 nan 4.420 nan 0.000 0.266 424 P C 0.964 178.277 177.300 0.022 0.000 1.215 424 P CA 1.992 65.094 63.100 0.003 0.000 0.763 424 P CB 0.666 32.381 31.700 0.025 0.000 0.806 425 G N 2.343 111.186 108.800 0.073 0.000 2.284 425 G HA2 -0.288 3.662 3.960 -0.018 0.000 0.261 425 G HA3 -0.288 3.662 3.960 -0.018 0.000 0.261 425 G C -0.088 174.859 174.900 0.078 0.000 0.997 425 G CA -0.036 45.129 45.100 0.108 0.000 0.621 425 G HN 0.569 nan 8.290 nan 0.000 0.534 426 L N 2.053 123.259 121.223 -0.027 0.000 2.290 426 L HA 0.741 5.071 4.340 -0.018 0.000 0.284 426 L C 0.785 177.589 176.870 -0.110 0.000 1.078 426 L CA 0.341 55.097 54.840 -0.141 0.000 0.815 426 L CB 1.016 42.854 42.059 -0.368 0.000 1.162 426 L HN 0.447 nan 8.230 nan 0.000 0.435 427 G N 3.326 112.105 108.800 -0.035 0.000 2.568 427 G HA2 0.783 4.733 3.960 -0.018 0.000 0.313 427 G HA3 0.783 4.733 3.960 -0.018 0.000 0.313 427 G C -1.685 173.220 174.900 0.008 0.000 1.227 427 G CA -0.316 44.826 45.100 0.070 0.000 0.979 427 G HN 0.951 nan 8.290 nan 0.000 0.486 428 A N 1.162 124.028 122.820 0.076 0.000 2.569 428 A HA 0.741 5.051 4.320 -0.018 0.000 0.282 428 A C -2.877 174.826 177.584 0.198 0.000 1.165 428 A CA -1.262 50.855 52.037 0.133 0.000 0.747 428 A CB 1.561 20.633 19.000 0.119 0.000 1.215 428 A HN 0.389 nan 8.150 nan 0.000 0.431 429 P HA 0.194 nan 4.420 nan 0.000 0.265 429 P C -0.372 177.178 177.300 0.415 0.000 1.193 429 P CA 0.264 63.501 63.100 0.229 0.000 0.765 429 P CB 0.162 32.066 31.700 0.339 0.000 0.823 430 F N 3.613 123.646 119.950 0.139 0.000 2.506 430 F HA 0.245 4.761 4.527 -0.018 0.000 0.351 430 F C 1.625 177.306 175.800 -0.197 0.000 1.136 430 F CA 0.428 58.378 58.000 -0.083 0.000 1.298 430 F CB -0.349 38.602 39.000 -0.082 0.000 1.145 430 F HN 0.502 nan 8.300 nan 0.000 0.593 431 H N -0.429 118.451 119.070 -0.318 0.000 2.917 431 H HA 0.476 5.021 4.556 -0.018 0.000 0.299 431 H C -1.855 173.194 175.328 -0.464 0.000 1.418 431 H CA -1.121 54.562 56.048 -0.607 0.000 1.138 431 H CB 1.323 30.285 29.762 -1.334 0.000 1.830 431 H HN 0.582 nan 8.280 nan 0.000 0.514 432 Q N 0.133 119.683 119.800 -0.417 0.000 2.433 432 Q HA 0.390 4.720 4.340 -0.018 0.000 0.279 432 Q C -1.036 174.771 176.000 -0.321 0.000 1.105 432 Q CA -0.945 54.673 55.803 -0.308 0.000 0.815 432 Q CB 2.928 31.518 28.738 -0.248 0.000 1.403 432 Q HN 0.543 nan 8.270 nan 0.000 0.435 433 H N 1.506 120.471 119.070 -0.174 0.000 2.866 433 H HA 0.404 4.949 4.556 -0.018 0.000 0.287 433 H C -0.853 174.217 175.328 -0.430 0.000 1.106 433 H CA -0.209 55.659 56.048 -0.299 0.000 1.396 433 H CB 0.613 30.288 29.762 -0.145 0.000 1.469 433 H HN 0.430 nan 8.280 nan 0.000 0.500 434 I N 3.767 124.075 120.570 -0.435 0.000 2.354 434 I HA 0.233 4.392 4.170 -0.018 0.000 0.292 434 I C -0.407 175.392 176.117 -0.530 0.000 0.989 434 I CA -0.557 60.519 61.300 -0.373 0.000 1.188 434 I CB 0.835 38.670 38.000 -0.274 0.000 1.342 434 I HN 0.180 nan 8.210 nan 0.000 0.457 435 F N 3.054 122.737 119.950 -0.446 0.000 2.497 435 F HA 0.555 5.072 4.527 -0.018 0.000 0.331 435 F C 0.592 176.243 175.800 -0.249 0.000 1.060 435 F CA -0.924 56.804 58.000 -0.452 0.000 0.989 435 F CB 1.601 40.057 39.000 -0.907 0.000 1.245 435 F HN 0.265 nan 8.300 nan 0.000 0.486 436 S N 0.779 116.563 115.700 0.141 0.000 2.756 436 S HA 0.761 5.221 4.470 -0.018 0.000 0.303 436 S C -1.007 173.715 174.600 0.203 0.000 1.135 436 S CA -0.542 57.770 58.200 0.187 0.000 1.066 436 S CB 0.473 63.657 63.200 -0.027 0.000 1.008 436 S HN 0.855 nan 8.310 nan 0.000 0.482 437 A N 4.748 127.721 122.820 0.254 0.000 2.289 437 A HA 0.640 4.950 4.320 -0.018 0.000 0.298 437 A C 0.144 177.760 177.584 0.053 0.000 1.208 437 A CA -0.644 51.495 52.037 0.170 0.000 0.845 437 A CB 0.388 19.429 19.000 0.068 0.000 1.125 437 A HN 0.837 nan 8.150 nan 0.000 0.517 438 R N 3.529 123.995 120.500 -0.058 0.000 2.215 438 R HA 0.532 4.862 4.340 -0.018 0.000 0.336 438 R C -1.589 174.528 176.300 -0.304 0.000 0.996 438 R CA -0.372 55.492 56.100 -0.393 0.000 0.847 438 R CB 0.339 30.279 30.300 -0.601 0.000 1.127 438 R HN 0.719 nan 8.270 nan 0.000 0.465 439 L N 4.521 125.564 121.223 -0.300 0.000 2.313 439 L HA 0.260 4.589 4.340 -0.018 0.000 0.273 439 L C -0.473 176.285 176.870 -0.187 0.000 1.028 439 L CA -0.861 53.878 54.840 -0.168 0.000 0.871 439 L CB 1.407 43.432 42.059 -0.057 0.000 1.242 439 L HN 0.548 nan 8.230 nan 0.000 0.434 440 D N 4.853 125.151 120.400 -0.170 0.000 2.402 440 D HA 0.159 4.789 4.640 -0.018 0.000 0.235 440 D C 0.177 176.465 176.300 -0.020 0.000 1.226 440 D CA -0.257 53.692 54.000 -0.084 0.000 0.918 440 D CB 0.614 41.383 40.800 -0.051 0.000 1.043 440 D HN 0.142 nan 8.370 nan 0.000 0.506 441 M N 2.540 122.143 119.600 0.005 0.000 2.228 441 M HA 0.310 4.779 4.480 -0.018 0.000 0.351 441 M C 0.340 176.656 176.300 0.027 0.000 1.233 441 M CA -0.327 54.977 55.300 0.006 0.000 1.129 441 M CB 0.680 33.296 32.600 0.027 0.000 1.604 441 M HN 0.476 nan 8.290 nan 0.000 0.457 442 A N 4.522 127.280 122.820 -0.103 0.000 3.234 442 A HA 0.401 4.711 4.320 -0.018 0.000 0.247 442 A C -0.190 177.289 177.584 -0.175 0.000 0.938 442 A CA -0.533 51.330 52.037 -0.290 0.000 1.039 442 A CB 0.083 18.744 19.000 -0.565 0.000 1.197 442 A HN 0.633 nan 8.150 nan 0.000 0.498 443 I N 1.712 122.249 120.570 -0.054 0.000 2.705 443 I HA 0.041 4.200 4.170 -0.018 0.000 0.291 443 I C 0.276 176.464 176.117 0.118 0.000 1.146 443 I CA 0.827 62.170 61.300 0.072 0.000 1.383 443 I CB -1.291 36.791 38.000 0.136 0.000 1.454 443 I HN 0.480 nan 8.210 nan 0.000 0.581 444 D N 4.904 125.389 120.400 0.141 0.000 2.800 444 D HA -0.137 4.492 4.640 -0.018 0.000 0.232 444 D C 0.653 176.913 176.300 -0.066 0.000 1.137 444 D CA 1.619 55.632 54.000 0.022 0.000 0.718 444 D CB -0.733 40.038 40.800 -0.048 0.000 1.084 444 D HN 1.105 nan 8.370 nan 0.000 0.432 445 G N -1.919 106.781 108.800 -0.165 0.000 2.462 445 G HA2 -0.140 3.809 3.960 -0.018 0.000 0.685 445 G HA3 -0.140 3.809 3.960 -0.018 0.000 0.685 445 G C 0.333 175.061 174.900 -0.288 0.000 1.295 445 G CA -0.363 44.573 45.100 -0.274 0.000 0.941 445 G HN 0.076 nan 8.290 nan 0.000 0.554 446 F N 0.744 120.685 119.950 -0.015 0.000 2.710 446 F HA 0.208 4.725 4.527 -0.017 0.000 0.298 446 F C 2.283 178.081 175.800 -0.003 0.000 1.137 446 F CA 1.208 59.194 58.000 -0.024 0.000 1.444 446 F CB 0.182 39.151 39.000 -0.053 0.000 1.111 446 F HN 0.309 nan 8.300 nan 0.000 0.580 447 T N 2.738 117.384 114.554 0.153 0.000 2.978 447 T HA 0.169 4.508 4.350 -0.018 0.000 0.278 447 T C -0.104 174.651 174.700 0.091 0.000 0.945 447 T CA -0.126 62.040 62.100 0.110 0.000 1.070 447 T CB -0.466 68.447 68.868 0.075 0.000 0.948 447 T HN -0.003 nan 8.240 nan 0.000 0.617 448 N N 2.723 121.485 118.700 0.104 0.000 2.380 448 N HA 0.688 5.417 4.740 -0.018 0.000 0.290 448 N C -0.251 175.315 175.510 0.093 0.000 1.236 448 N CA -1.035 52.072 53.050 0.095 0.000 0.780 448 N CB 2.178 40.724 38.487 0.098 0.000 1.438 448 N HN 0.613 nan 8.380 nan 0.000 0.491 449 R N -1.629 118.926 120.500 0.093 0.000 2.781 449 R HA 0.820 5.150 4.340 -0.018 0.000 0.269 449 R C -1.710 174.653 176.300 0.106 0.000 1.025 449 R CA -0.870 55.287 56.100 0.094 0.000 0.914 449 R CB 0.818 31.168 30.300 0.082 0.000 1.236 449 R HN 0.183 nan 8.270 nan 0.000 0.465 450 V N 0.847 120.829 119.914 0.115 0.000 2.656 450 V HA 0.436 4.545 4.120 -0.018 0.000 0.307 450 V C -0.711 175.474 176.094 0.150 0.000 1.051 450 V CA -0.717 61.668 62.300 0.142 0.000 0.893 450 V CB 1.898 33.811 31.823 0.151 0.000 0.999 450 V HN 0.775 nan 8.190 nan 0.000 0.426 451 E N 2.215 122.512 120.200 0.162 0.000 2.266 451 E HA 0.452 4.792 4.350 -0.018 0.000 0.268 451 E C -1.041 175.651 176.600 0.152 0.000 0.879 451 E CA -0.696 55.783 56.400 0.131 0.000 0.762 451 E CB 2.917 32.663 29.700 0.077 0.000 1.199 451 E HN 0.737 nan 8.360 nan 0.000 0.422 452 E N 2.623 122.890 120.200 0.111 0.000 2.115 452 E HA 0.081 4.420 4.350 -0.018 0.000 0.282 452 E C -1.017 175.494 176.600 -0.148 0.000 0.987 452 E CA -0.300 56.066 56.400 -0.057 0.000 0.797 452 E CB 0.921 30.658 29.700 0.062 0.000 1.086 452 E HN 0.394 nan 8.360 nan 0.000 0.397 453 E N 4.484 124.528 120.200 -0.259 0.000 2.109 453 E HA 0.157 4.497 4.350 -0.018 0.000 0.278 453 E C -1.209 175.270 176.600 -0.202 0.000 0.954 453 E CA -0.779 55.517 56.400 -0.174 0.000 0.779 453 E CB 0.809 30.430 29.700 -0.131 0.000 1.093 453 E HN 0.447 nan 8.360 nan 0.000 0.401 454 D N 2.562 122.886 120.400 -0.126 0.000 2.252 454 D HA 0.243 4.873 4.640 -0.018 0.000 0.245 454 D C -0.418 175.854 176.300 -0.046 0.000 1.009 454 D CA -0.569 53.369 54.000 -0.104 0.000 0.870 454 D CB 2.064 42.817 40.800 -0.078 0.000 1.251 454 D HN 0.147 nan 8.370 nan 0.000 0.460 455 V N 1.405 121.299 119.914 -0.033 0.000 2.715 455 V HA 0.188 4.297 4.120 -0.018 0.000 0.299 455 V C 0.155 176.263 176.094 0.023 0.000 1.054 455 V CA -0.231 62.078 62.300 0.015 0.000 1.077 455 V CB 1.367 33.181 31.823 -0.015 0.000 0.972 455 V HN 0.262 nan 8.190 nan 0.000 0.484 456 V N 6.070 126.026 119.914 0.069 0.000 2.409 456 V HA 0.469 4.578 4.120 -0.018 0.000 0.291 456 V C 0.113 176.263 176.094 0.093 0.000 1.020 456 V CA -0.860 61.474 62.300 0.058 0.000 0.848 456 V CB 1.548 33.400 31.823 0.047 0.000 0.990 456 V HN 0.800 nan 8.190 nan 0.000 0.430 457 R N 3.525 124.060 120.500 0.058 0.000 2.349 457 R HA 0.551 4.880 4.340 -0.018 0.000 0.299 457 R C -0.536 175.800 176.300 0.060 0.000 1.027 457 R CA -0.478 55.662 56.100 0.066 0.000 0.958 457 R CB 1.318 31.632 30.300 0.023 0.000 1.047 457 R HN 0.690 nan 8.270 nan 0.000 0.468 458 Q N 0.723 120.567 119.800 0.074 0.000 2.306 458 Q HA 0.290 4.619 4.340 -0.018 0.000 0.265 458 Q C -0.603 175.420 176.000 0.038 0.000 1.022 458 Q CA -0.700 55.132 55.803 0.049 0.000 0.853 458 Q CB 2.327 31.093 28.738 0.047 0.000 1.327 458 Q HN 0.455 nan 8.270 nan 0.000 0.449 459 T N 2.040 116.609 114.554 0.025 0.000 2.869 459 T HA 0.227 4.566 4.350 -0.018 0.000 0.295 459 T C 0.067 174.778 174.700 0.018 0.000 0.987 459 T CA -0.395 61.716 62.100 0.019 0.000 1.109 459 T CB 0.432 69.308 68.868 0.014 0.000 0.932 459 T HN 0.491 nan 8.240 nan 0.000 0.518 460 M N 3.274 122.884 119.600 0.017 0.000 2.238 460 M HA 0.434 4.903 4.480 -0.018 0.000 0.350 460 M C 0.492 176.798 176.300 0.011 0.000 1.321 460 M CA 0.945 56.254 55.300 0.015 0.000 1.097 460 M CB -0.543 32.065 32.600 0.014 0.000 1.713 460 M HN 0.912 nan 8.290 nan 0.000 0.455 461 G N 4.429 113.234 108.800 0.009 0.000 2.367 461 G HA2 0.215 4.165 3.960 -0.018 0.000 0.272 461 G HA3 0.215 4.165 3.960 -0.018 0.000 0.272 461 G C -3.401 171.502 174.900 0.005 0.000 1.271 461 G CA -1.120 43.984 45.100 0.006 0.000 0.893 461 G HN 0.423 nan 8.290 nan 0.000 0.485 462 P HA 0.314 nan 4.420 nan 0.000 0.262 462 P C 1.005 178.306 177.300 0.001 0.000 1.182 462 P CA 2.320 65.421 63.100 0.002 0.000 0.761 462 P CB 0.741 32.442 31.700 0.001 0.000 0.795 463 G N 2.749 111.549 108.800 -0.001 0.000 2.212 463 G HA2 -0.290 3.660 3.960 -0.018 0.000 0.266 463 G HA3 -0.290 3.660 3.960 -0.018 0.000 0.266 463 G C 0.550 175.448 174.900 -0.004 0.000 0.978 463 G CA 0.440 45.538 45.100 -0.004 0.000 0.632 463 G HN 0.663 nan 8.290 nan 0.000 0.537 464 N N -0.082 118.619 118.700 0.000 0.000 2.620 464 N HA 0.337 5.067 4.740 -0.018 0.000 0.277 464 N C 0.971 176.485 175.510 0.006 0.000 1.726 464 N CA 0.504 53.556 53.050 0.003 0.000 0.840 464 N CB 0.387 38.878 38.487 0.008 0.000 1.379 464 N HN 0.166 nan 8.380 nan 0.000 0.506 465 E N 0.127 120.329 120.200 0.004 0.000 2.130 465 E HA -0.087 4.252 4.350 -0.018 0.000 0.196 465 E C 1.110 177.715 176.600 0.007 0.000 0.998 465 E CA 1.379 57.782 56.400 0.005 0.000 0.806 465 E CB 0.094 29.796 29.700 0.003 0.000 0.738 465 E HN 0.396 nan 8.360 nan 0.000 0.459 466 R N -0.566 119.939 120.500 0.008 0.000 2.310 466 R HA 0.156 4.486 4.340 -0.018 0.000 0.202 466 R C 0.645 176.955 176.300 0.017 0.000 0.933 466 R CA 0.465 56.572 56.100 0.012 0.000 1.054 466 R CB 0.269 30.576 30.300 0.011 0.000 0.985 466 R HN 0.210 nan 8.270 nan 0.000 0.489 467 G N 2.497 111.309 108.800 0.019 0.000 2.371 467 G HA2 -0.330 3.619 3.960 -0.018 0.000 0.299 467 G HA3 -0.330 3.619 3.960 -0.018 0.000 0.299 467 G C 0.104 175.029 174.900 0.042 0.000 1.014 467 G CA 0.929 46.045 45.100 0.028 0.000 1.097 467 G HN 0.714 nan 8.290 nan 0.000 0.512 468 N N -1.402 117.327 118.700 0.048 0.000 2.166 468 N HA 0.521 5.250 4.740 -0.018 0.000 0.213 468 N C 1.049 176.624 175.510 0.108 0.000 1.222 468 N CA 0.453 53.549 53.050 0.077 0.000 0.900 468 N CB 0.616 39.136 38.487 0.055 0.000 1.055 468 N HN 0.798 nan 8.380 nan 0.000 0.515 469 A N 0.896 123.754 122.820 0.063 0.000 2.388 469 A HA 0.510 4.819 4.320 -0.018 0.000 0.257 469 A C -0.682 176.976 177.584 0.122 0.000 1.095 469 A CA -0.326 51.723 52.037 0.021 0.000 0.791 469 A CB -0.197 18.794 19.000 -0.016 0.000 1.029 469 A HN 0.478 nan 8.150 nan 0.000 0.489 470 F N 0.509 120.455 119.950 -0.007 0.000 2.608 470 F HA 0.785 5.303 4.527 -0.016 0.000 0.309 470 F C -0.229 175.565 175.800 -0.010 0.000 1.103 470 F CA -0.595 57.400 58.000 -0.009 0.000 0.954 470 F CB 1.041 40.035 39.000 -0.010 0.000 1.267 470 F HN 0.524 nan 8.300 nan 0.000 0.444 471 S N 1.754 117.541 115.700 0.144 0.000 2.894 471 S HA 0.845 5.305 4.470 -0.018 0.000 0.298 471 S C -1.192 173.480 174.600 0.119 0.000 1.054 471 S CA -0.841 57.388 58.200 0.047 0.000 0.903 471 S CB 1.332 64.540 63.200 0.012 0.000 1.356 471 S HN 1.070 nan 8.310 nan 0.000 0.626 472 R N 0.646 121.179 120.500 0.054 0.000 2.680 472 R HA 0.575 4.905 4.340 -0.018 0.000 0.269 472 R C -1.966 174.343 176.300 0.015 0.000 1.026 472 R CA -0.880 55.246 56.100 0.043 0.000 0.889 472 R CB 1.248 31.572 30.300 0.039 0.000 1.241 472 R HN 0.703 nan 8.270 nan 0.000 0.463 473 K N 1.927 122.327 120.400 0.001 0.000 2.435 473 K HA 0.604 4.913 4.320 -0.018 0.000 0.251 473 K C -1.134 175.457 176.600 -0.015 0.000 0.954 473 K CA -1.151 55.133 56.287 -0.004 0.000 0.820 473 K CB 2.723 35.223 32.500 -0.001 0.000 1.292 473 K HN 0.626 nan 8.250 nan 0.000 0.436 474 R N 1.020 121.517 120.500 -0.005 0.000 2.513 474 R HA 0.346 4.675 4.340 -0.018 0.000 0.301 474 R C -1.222 175.087 176.300 0.014 0.000 0.968 474 R CA -0.830 55.269 56.100 -0.002 0.000 0.872 474 R CB 2.558 32.862 30.300 0.007 0.000 1.177 474 R HN 0.665 nan 8.270 nan 0.000 0.444 475 T N 2.537 117.105 114.554 0.023 0.000 2.770 475 T HA 0.244 4.583 4.350 -0.018 0.000 0.283 475 T C 0.050 174.788 174.700 0.062 0.000 0.988 475 T CA -0.618 61.506 62.100 0.039 0.000 0.957 475 T CB 1.490 70.382 68.868 0.039 0.000 0.930 475 T HN 0.147 nan 8.240 nan 0.000 0.443 476 V N 5.058 125.007 119.914 0.059 0.000 2.555 476 V HA 0.227 4.336 4.120 -0.018 0.000 0.286 476 V C 0.363 176.504 176.094 0.077 0.000 1.044 476 V CA -0.554 61.788 62.300 0.070 0.000 1.026 476 V CB 0.389 32.247 31.823 0.058 0.000 0.981 476 V HN 0.726 nan 8.190 nan 0.000 0.480 477 L N 5.433 126.713 121.223 0.094 0.000 2.282 477 L HA 0.258 4.587 4.340 -0.018 0.000 0.287 477 L C 1.531 178.449 176.870 0.081 0.000 1.075 477 L CA -0.193 54.702 54.840 0.091 0.000 0.839 477 L CB 0.898 43.023 42.059 0.111 0.000 1.219 477 L HN 0.934 nan 8.230 nan 0.000 0.434 478 T N -0.290 114.304 114.554 0.068 0.000 2.894 478 T HA 0.104 4.443 4.350 -0.018 0.000 0.258 478 T C 1.054 175.792 174.700 0.064 0.000 1.043 478 T CA 0.295 62.432 62.100 0.062 0.000 1.141 478 T CB 0.246 69.144 68.868 0.051 0.000 0.873 478 T HN 0.369 nan 8.240 nan 0.000 0.449 479 R N 0.665 121.202 120.500 0.062 0.000 2.803 479 R HA 0.423 4.753 4.340 -0.018 0.000 0.276 479 R C 0.721 177.065 176.300 0.074 0.000 0.978 479 R CA -0.560 55.578 56.100 0.063 0.000 0.939 479 R CB 1.511 31.843 30.300 0.052 0.000 1.179 479 R HN 0.261 nan 8.270 nan 0.000 0.472 480 E N 0.388 120.639 120.200 0.084 0.000 2.209 480 E HA -0.149 4.190 4.350 -0.018 0.000 0.196 480 E C 1.184 177.837 176.600 0.089 0.000 0.993 480 E CA 1.242 57.705 56.400 0.105 0.000 0.819 480 E CB 0.148 29.920 29.700 0.119 0.000 0.745 480 E HN 0.427 nan 8.360 nan 0.000 0.477 481 S N 0.706 116.446 115.700 0.067 0.000 2.442 481 S HA -0.147 4.312 4.470 -0.018 0.000 0.236 481 S C 1.385 176.003 174.600 0.030 0.000 1.007 481 S CA 1.166 59.396 58.200 0.049 0.000 0.965 481 S CB -0.119 63.105 63.200 0.041 0.000 0.773 481 S HN 0.428 nan 8.310 nan 0.000 0.504 482 E N -0.326 119.895 120.200 0.035 0.000 2.603 482 E HA 0.427 4.766 4.350 -0.018 0.000 0.211 482 E C 0.669 177.284 176.600 0.025 0.000 0.995 482 E CA 0.043 56.458 56.400 0.024 0.000 0.990 482 E CB 0.377 30.099 29.700 0.036 0.000 1.036 482 E HN 0.292 nan 8.360 nan 0.000 0.475 483 A N 1.095 123.934 122.820 0.031 0.000 2.415 483 A HA 0.298 4.607 4.320 -0.018 0.000 0.248 483 A C 0.312 177.863 177.584 -0.055 0.000 1.299 483 A CA -0.196 51.861 52.037 0.033 0.000 0.899 483 A CB 0.157 19.214 19.000 0.095 0.000 0.997 483 A HN 0.107 nan 8.150 nan 0.000 0.506 484 V N 2.737 122.550 119.914 -0.169 0.000 2.311 484 V HA 0.407 4.516 4.120 -0.018 0.000 0.275 484 V C -0.410 175.469 176.094 -0.359 0.000 1.022 484 V CA -0.716 61.292 62.300 -0.485 0.000 0.830 484 V CB 0.493 31.909 31.823 -0.679 0.000 1.012 484 V HN 0.462 nan 8.190 nan 0.000 0.452 485 R N 3.420 123.721 120.500 -0.333 0.000 2.832 485 R HA 0.673 5.002 4.340 -0.018 0.000 0.271 485 R C -0.236 176.026 176.300 -0.063 0.000 0.996 485 R CA -0.762 55.279 56.100 -0.099 0.000 0.977 485 R CB 2.176 32.552 30.300 0.126 0.000 1.168 485 R HN 0.892 nan 8.270 nan 0.000 0.482 486 E N 0.329 120.592 120.200 0.105 0.000 2.235 486 E HA 0.722 5.061 4.350 -0.018 0.000 0.265 486 E C -0.763 176.036 176.600 0.331 0.000 0.940 486 E CA -1.139 55.349 56.400 0.147 0.000 0.819 486 E CB 1.572 31.315 29.700 0.072 0.000 1.206 486 E HN 0.546 nan 8.360 nan 0.000 0.409 487 A N 1.183 124.191 122.820 0.314 0.000 2.366 487 A HA 0.271 4.581 4.320 -0.018 0.000 0.249 487 A C -0.319 177.360 177.584 0.159 0.000 1.084 487 A CA -0.083 52.150 52.037 0.325 0.000 0.794 487 A CB 0.327 19.504 19.000 0.295 0.000 1.034 487 A HN 0.694 nan 8.150 nan 0.000 0.491 488 D N 0.122 120.571 120.400 0.080 0.000 2.527 488 D HA 0.420 5.050 4.640 -0.018 0.000 0.242 488 D C 0.684 176.986 176.300 0.003 0.000 1.285 488 D CA 0.291 54.308 54.000 0.028 0.000 0.886 488 D CB 0.666 41.464 40.800 -0.003 0.000 1.402 488 D HN 0.477 nan 8.370 nan 0.000 0.528 489 A N 2.793 125.632 122.820 0.033 0.000 1.978 489 A HA -0.169 4.141 4.320 -0.018 0.000 0.220 489 A C 2.082 179.664 177.584 -0.002 0.000 1.170 489 A CA 1.426 53.478 52.037 0.026 0.000 0.636 489 A CB -0.188 18.841 19.000 0.049 0.000 0.810 489 A HN 0.485 nan 8.150 nan 0.000 0.448 490 R N -0.191 120.306 120.500 -0.005 0.000 2.091 490 R HA -0.130 4.199 4.340 -0.018 0.000 0.238 490 R C 1.692 177.971 176.300 -0.036 0.000 1.136 490 R CA 1.993 58.082 56.100 -0.018 0.000 0.959 490 R CB -0.379 29.915 30.300 -0.011 0.000 0.856 490 R HN 0.602 nan 8.270 nan 0.000 0.437 491 T N -3.169 111.361 114.554 -0.039 0.000 3.244 491 T HA 0.245 4.584 4.350 -0.018 0.000 0.254 491 T C 0.884 175.544 174.700 -0.066 0.000 1.024 491 T CA 0.140 62.210 62.100 -0.051 0.000 0.920 491 T CB 0.628 69.468 68.868 -0.046 0.000 1.042 491 T HN 0.397 nan 8.240 nan 0.000 0.572 492 G N 2.388 111.152 108.800 -0.060 0.000 2.321 492 G HA2 -0.365 3.584 3.960 -0.018 0.000 0.287 492 G HA3 -0.365 3.584 3.960 -0.018 0.000 0.287 492 G C 0.106 174.935 174.900 -0.117 0.000 1.018 492 G CA 0.304 45.367 45.100 -0.061 0.000 0.855 492 G HN 0.916 nan 8.290 nan 0.000 0.507 493 R N 0.572 120.964 120.500 -0.180 0.000 2.502 493 R HA 0.383 4.712 4.340 -0.018 0.000 0.292 493 R C 0.941 176.889 176.300 -0.586 0.000 0.998 493 R CA 1.131 57.003 56.100 -0.380 0.000 1.056 493 R CB 0.175 30.230 30.300 -0.408 0.000 0.939 493 R HN 0.493 nan 8.270 nan 0.000 0.411 494 T N 0.762 114.874 114.554 -0.737 0.000 2.716 494 T HA 0.553 4.893 4.350 -0.018 0.000 0.286 494 T C -1.093 173.072 174.700 -0.892 0.000 1.052 494 T CA -0.963 60.708 62.100 -0.716 0.000 1.024 494 T CB 1.268 69.894 68.868 -0.403 0.000 1.349 494 T HN 0.582 nan 8.240 nan 0.000 0.525 495 W N 0.449 121.695 121.300 -0.090 0.000 2.957 495 W HA 0.591 5.240 4.660 -0.017 0.000 0.336 495 W C -1.272 175.225 176.519 -0.038 0.000 1.087 495 W CA -1.114 56.205 57.345 -0.044 0.000 1.235 495 W CB 1.725 31.168 29.460 -0.029 0.000 1.399 495 W HN 0.605 nan 8.180 nan 0.000 0.480 496 I N 4.136 124.803 120.570 0.162 0.000 2.377 496 I HA 0.342 4.501 4.170 -0.018 0.000 0.293 496 I C -0.384 175.823 176.117 0.150 0.000 0.987 496 I CA -1.036 60.337 61.300 0.122 0.000 1.185 496 I CB 1.526 39.566 38.000 0.067 0.000 1.341 496 I HN 0.080 nan 8.210 nan 0.000 0.455 497 I N 5.697 126.360 120.570 0.154 0.000 2.330 497 I HA 0.284 4.443 4.170 -0.018 0.000 0.289 497 I C 0.196 176.399 176.117 0.143 0.000 1.001 497 I CA 0.242 61.626 61.300 0.140 0.000 1.193 497 I CB 1.362 39.437 38.000 0.124 0.000 1.345 497 I HN 0.574 nan 8.210 nan 0.000 0.461 498 S N 3.910 119.684 115.700 0.122 0.000 2.634 498 S HA 0.591 5.050 4.470 -0.018 0.000 0.296 498 S C -0.652 174.008 174.600 0.100 0.000 1.104 498 S CA -0.934 57.339 58.200 0.121 0.000 0.920 498 S CB 1.943 65.201 63.200 0.097 0.000 1.111 498 S HN 0.492 nan 8.310 nan 0.000 0.493 499 N N 2.045 120.800 118.700 0.092 0.000 2.546 499 N HA 0.360 5.089 4.740 -0.018 0.000 0.238 499 N C -2.044 173.492 175.510 0.043 0.000 0.984 499 N CA -2.345 50.743 53.050 0.064 0.000 0.935 499 N CB 1.303 39.821 38.487 0.051 0.000 1.122 499 N HN 0.397 nan 8.380 nan 0.000 0.510 500 P HA -0.011 nan 4.420 nan 0.000 0.242 500 P C -0.238 177.074 177.300 0.020 0.000 1.198 500 P CA 0.941 64.060 63.100 0.032 0.000 0.756 500 P CB 0.358 32.081 31.700 0.038 0.000 0.911 501 E N -1.596 118.612 120.200 0.014 0.000 2.676 501 E HA 0.144 4.483 4.350 -0.018 0.000 0.222 501 E C -0.121 176.470 176.600 -0.014 0.000 0.968 501 E CA -0.084 56.318 56.400 0.003 0.000 1.090 501 E CB 0.688 30.394 29.700 0.010 0.000 1.066 501 E HN -0.065 nan 8.360 nan 0.000 0.496 502 S N 1.296 116.982 115.700 -0.023 0.000 2.707 502 S HA 0.362 4.821 4.470 -0.018 0.000 0.312 502 S C -0.947 173.614 174.600 -0.065 0.000 1.116 502 S CA -0.636 57.529 58.200 -0.058 0.000 1.078 502 S CB 0.381 63.531 63.200 -0.082 0.000 0.997 502 S HN -0.013 nan 8.310 nan 0.000 0.477 503 K N 2.995 123.355 120.400 -0.066 0.000 2.156 503 K HA 0.417 4.726 4.320 -0.018 0.000 0.254 503 K C -0.008 176.541 176.600 -0.084 0.000 0.950 503 K CA -1.011 55.240 56.287 -0.060 0.000 0.849 503 K CB 0.996 33.475 32.500 -0.036 0.000 1.100 503 K HN 0.741 nan 8.250 nan 0.000 0.434 504 N N 0.804 119.457 118.700 -0.078 0.000 2.366 504 N HA 0.013 4.743 4.740 -0.018 0.000 0.277 504 N C 0.748 176.226 175.510 -0.053 0.000 1.275 504 N CA -0.392 52.608 53.050 -0.083 0.000 0.964 504 N CB 0.286 38.732 38.487 -0.068 0.000 1.167 504 N HN 0.573 nan 8.380 nan 0.000 0.568 505 R N -0.687 119.788 120.500 -0.042 0.000 2.241 505 R HA 0.002 4.332 4.340 -0.018 0.000 0.224 505 R C 0.567 176.854 176.300 -0.022 0.000 1.101 505 R CA 1.111 57.194 56.100 -0.029 0.000 0.995 505 R CB -0.733 29.554 30.300 -0.021 0.000 0.870 505 R HN 0.574 nan 8.270 nan 0.000 0.463 506 L N 1.079 122.290 121.223 -0.020 0.000 2.629 506 L HA 0.152 4.481 4.340 -0.018 0.000 0.230 506 L C 0.326 177.187 176.870 -0.015 0.000 1.151 506 L CA -0.078 54.753 54.840 -0.015 0.000 0.924 506 L CB -0.598 41.454 42.059 -0.011 0.000 1.137 506 L HN 0.414 nan 8.230 nan 0.000 0.457 507 N N 1.294 119.982 118.700 -0.019 0.000 2.747 507 N HA -0.155 4.575 4.740 -0.018 0.000 0.249 507 N C -0.344 175.158 175.510 -0.014 0.000 1.107 507 N CA 0.349 53.389 53.050 -0.018 0.000 0.707 507 N CB -0.025 38.454 38.487 -0.014 0.000 1.054 507 N HN 0.383 nan 8.380 nan 0.000 0.555 508 E N 0.317 120.508 120.200 -0.015 0.000 2.195 508 E HA 0.411 4.750 4.350 -0.018 0.000 0.271 508 E C -2.487 174.108 176.600 -0.008 0.000 0.923 508 E CA -1.715 54.681 56.400 -0.006 0.000 0.790 508 E CB 1.519 31.218 29.700 -0.002 0.000 1.155 508 E HN 0.106 nan 8.360 nan 0.000 0.402 509 P HA -0.071 nan 4.420 nan 0.000 0.264 509 P C -0.039 177.273 177.300 0.020 0.000 1.193 509 P CA -0.010 63.095 63.100 0.009 0.000 0.763 509 P CB 0.363 32.079 31.700 0.027 0.000 0.810 510 V N 1.921 121.837 119.914 0.004 0.000 2.999 510 V HA 0.698 4.808 4.120 -0.018 0.000 0.307 510 V C 0.583 176.787 176.094 0.182 0.000 1.084 510 V CA 0.330 62.656 62.300 0.043 0.000 1.155 510 V CB 0.218 31.970 31.823 -0.118 0.000 0.975 510 V HN 0.738 nan 8.190 nan 0.000 0.490 511 G N 2.030 110.992 108.800 0.270 0.000 2.600 511 G HA2 0.597 4.546 3.960 -0.018 0.000 0.293 511 G HA3 0.597 4.546 3.960 -0.018 0.000 0.293 511 G C -2.318 172.712 174.900 0.218 0.000 1.408 511 G CA -0.742 44.507 45.100 0.249 0.000 0.782 511 G HN 0.770 nan 8.290 nan 0.000 0.482 512 Y N -0.024 120.297 120.300 0.036 0.000 2.421 512 Y HA 0.583 5.122 4.550 -0.017 0.000 0.339 512 Y C 0.116 176.042 175.900 0.043 0.000 0.996 512 Y CA -0.777 57.328 58.100 0.008 0.000 1.046 512 Y CB 2.728 41.158 38.460 -0.049 0.000 1.226 512 Y HN 0.506 nan 8.280 nan 0.000 0.445 513 K N 3.911 124.371 120.400 0.100 0.000 2.185 513 K HA 0.520 4.829 4.320 -0.018 0.000 0.269 513 K C -1.505 175.109 176.600 0.023 0.000 0.987 513 K CA -0.852 55.448 56.287 0.021 0.000 0.865 513 K CB 0.916 33.363 32.500 -0.089 0.000 1.090 513 K HN 0.623 nan 8.250 nan 0.000 0.450 514 L N 5.060 126.298 121.223 0.025 0.000 2.265 514 L HA 0.276 4.605 4.340 -0.018 0.000 0.288 514 L C -1.328 175.516 176.870 -0.044 0.000 1.058 514 L CA 0.055 54.950 54.840 0.092 0.000 0.809 514 L CB 0.495 42.642 42.059 0.146 0.000 1.179 514 L HN 0.646 nan 8.230 nan 0.000 0.429 515 H N 4.570 123.764 119.070 0.206 0.000 2.597 515 H HA 0.690 5.235 4.556 -0.018 0.000 0.303 515 H C -0.020 175.460 175.328 0.254 0.000 1.057 515 H CA 0.010 56.171 56.048 0.189 0.000 1.261 515 H CB 1.210 31.065 29.762 0.154 0.000 1.397 515 H HN 0.880 nan 8.280 nan 0.000 0.461 516 A N 2.308 125.329 122.820 0.334 0.000 2.279 516 A HA 0.198 4.508 4.320 -0.018 0.000 0.303 516 A C 0.409 178.291 177.584 0.496 0.000 1.108 516 A CA -0.566 51.705 52.037 0.391 0.000 0.830 516 A CB 0.477 19.724 19.000 0.412 0.000 1.106 516 A HN 1.015 nan 8.150 nan 0.000 0.493 517 H N 0.833 120.095 119.070 0.321 0.000 2.548 517 H HA -0.011 4.534 4.556 -0.018 0.000 0.268 517 H C -0.095 175.355 175.328 0.204 0.000 0.975 517 H CA 0.303 56.486 56.048 0.225 0.000 1.195 517 H CB 0.169 30.053 29.762 0.204 0.000 1.397 517 H HN 0.763 nan 8.280 nan 0.000 0.572 518 N N 1.771 120.696 118.700 0.375 0.000 2.754 518 N HA -0.168 4.561 4.740 -0.018 0.000 0.248 518 N C -0.589 175.053 175.510 0.221 0.000 1.093 518 N CA 0.531 53.746 53.050 0.275 0.000 0.699 518 N CB -0.952 37.657 38.487 0.203 0.000 1.016 518 N HN 0.524 nan 8.380 nan 0.000 0.552 519 Q N -0.017 119.929 119.800 0.245 0.000 2.368 519 Q HA 0.333 4.662 4.340 -0.018 0.000 0.237 519 Q C -1.857 174.227 176.000 0.139 0.000 0.987 519 Q CA -1.016 54.896 55.803 0.182 0.000 0.896 519 Q CB 0.260 29.119 28.738 0.202 0.000 1.241 519 Q HN 0.124 nan 8.270 nan 0.000 0.485 520 P HA -0.016 nan 4.420 nan 0.000 0.269 520 P C -0.166 177.159 177.300 0.042 0.000 1.209 520 P CA 0.256 63.394 63.100 0.064 0.000 0.776 520 P CB 0.511 32.237 31.700 0.043 0.000 0.876 521 T N 0.369 114.941 114.554 0.030 0.000 2.973 521 T HA 0.297 4.636 4.350 -0.018 0.000 0.308 521 T C 0.288 174.957 174.700 -0.052 0.000 1.177 521 T CA -0.800 61.296 62.100 -0.006 0.000 0.938 521 T CB -0.059 68.816 68.868 0.011 0.000 1.791 521 T HN 0.156 nan 8.240 nan 0.000 0.581 522 L N 1.176 122.345 121.223 -0.089 0.000 2.534 522 L HA 0.201 4.531 4.340 -0.018 0.000 0.271 522 L C 0.851 177.684 176.870 -0.061 0.000 1.178 522 L CA 0.183 54.957 54.840 -0.109 0.000 0.907 522 L CB -0.427 41.543 42.059 -0.148 0.000 1.164 522 L HN 0.614 nan 8.230 nan 0.000 0.482 523 L N 4.806 125.994 121.223 -0.058 0.000 2.307 523 L HA 0.203 4.532 4.340 -0.018 0.000 0.211 523 L C 1.435 178.301 176.870 -0.007 0.000 1.099 523 L CA 0.252 55.078 54.840 -0.023 0.000 0.816 523 L CB -0.499 41.548 42.059 -0.020 0.000 0.952 523 L HN 0.829 nan 8.230 nan 0.000 0.455 524 A N 0.663 123.474 122.820 -0.016 0.000 2.547 524 A HA -0.122 4.187 4.320 -0.018 0.000 0.233 524 A C 0.314 177.906 177.584 0.013 0.000 1.067 524 A CA -0.033 52.008 52.037 0.007 0.000 0.763 524 A CB -0.090 18.915 19.000 0.008 0.000 1.007 524 A HN 0.298 nan 8.150 nan 0.000 0.506 525 D N 1.986 122.402 120.400 0.027 0.000 2.472 525 D HA 0.011 4.641 4.640 -0.018 0.000 0.237 525 D C -1.090 175.222 176.300 0.021 0.000 1.141 525 D CA -0.799 53.217 54.000 0.026 0.000 0.875 525 D CB 0.827 41.647 40.800 0.034 0.000 1.192 525 D HN 0.280 nan 8.370 nan 0.000 0.450 526 P HA -0.121 nan 4.420 nan 0.000 0.217 526 P C 1.030 178.338 177.300 0.013 0.000 1.148 526 P CA 1.015 64.123 63.100 0.012 0.000 0.828 526 P CB 0.066 31.773 31.700 0.012 0.000 0.783 527 G N -0.146 108.664 108.800 0.016 0.000 3.088 527 G HA2 0.043 3.993 3.960 -0.018 0.000 0.212 527 G HA3 0.043 3.993 3.960 -0.018 0.000 0.212 527 G C 0.549 175.461 174.900 0.021 0.000 1.173 527 G CA 0.067 45.176 45.100 0.015 0.000 0.779 527 G HN 0.444 nan 8.290 nan 0.000 0.540 528 S N -0.580 115.139 115.700 0.031 0.000 2.592 528 S HA 0.320 4.779 4.470 -0.018 0.000 0.271 528 S C 1.609 176.229 174.600 0.033 0.000 1.326 528 S CA 0.421 58.653 58.200 0.053 0.000 1.024 528 S CB 1.773 65.016 63.200 0.071 0.000 0.921 528 S HN 0.139 nan 8.310 nan 0.000 0.527 529 S N 1.487 117.211 115.700 0.039 0.000 2.374 529 S HA -0.175 4.284 4.470 -0.018 0.000 0.227 529 S C 1.623 176.213 174.600 -0.015 0.000 1.037 529 S CA 1.397 59.562 58.200 -0.059 0.000 1.024 529 S CB -0.792 62.260 63.200 -0.247 0.000 0.861 529 S HN 0.740 nan 8.310 nan 0.000 0.456 530 I N 1.852 122.464 120.570 0.070 0.000 2.315 530 I HA 0.081 4.240 4.170 -0.018 0.000 0.248 530 I C 2.412 178.558 176.117 0.048 0.000 1.117 530 I CA 1.150 62.509 61.300 0.099 0.000 1.404 530 I CB -0.978 37.087 38.000 0.109 0.000 1.071 530 I HN 0.344 nan 8.210 nan 0.000 0.419 531 A N 0.557 123.389 122.820 0.020 0.000 1.902 531 A HA -0.182 4.128 4.320 -0.018 0.000 0.217 531 A C 2.323 179.905 177.584 -0.003 0.000 1.181 531 A CA 1.391 53.426 52.037 -0.003 0.000 0.623 531 A CB -0.502 18.500 19.000 0.003 0.000 0.818 531 A HN 0.337 nan 8.150 nan 0.000 0.443 532 R N -0.223 120.271 120.500 -0.010 0.000 2.062 532 R HA -0.005 4.324 4.340 -0.018 0.000 0.229 532 R C 2.172 178.445 176.300 -0.045 0.000 1.128 532 R CA 1.476 57.555 56.100 -0.036 0.000 0.960 532 R CB -0.711 29.551 30.300 -0.065 0.000 0.855 532 R HN 0.597 nan 8.270 nan 0.000 0.432 533 R N 0.375 120.863 120.500 -0.020 0.000 2.115 533 R HA 0.077 4.406 4.340 -0.018 0.000 0.226 533 R C 0.902 177.299 176.300 0.162 0.000 1.100 533 R CA 1.221 57.316 56.100 -0.009 0.000 0.980 533 R CB 0.072 30.369 30.300 -0.006 0.000 0.875 533 R HN 0.061 nan 8.270 nan 0.000 0.445 534 A N 0.290 123.238 122.820 0.213 0.000 3.154 534 A HA 0.513 4.823 4.320 -0.018 0.000 0.310 534 A C 1.085 178.617 177.584 -0.088 0.000 1.093 534 A CA -0.132 52.028 52.037 0.204 0.000 1.006 534 A CB 0.331 19.374 19.000 0.071 0.000 1.084 534 A HN 0.244 nan 8.150 nan 0.000 0.549 535 A N 0.221 123.047 122.820 0.009 0.000 2.019 535 A HA -0.017 4.293 4.320 -0.018 0.000 0.219 535 A C 1.741 179.355 177.584 0.049 0.000 1.164 535 A CA 1.719 53.762 52.037 0.009 0.000 0.644 535 A CB -0.892 18.120 19.000 0.019 0.000 0.805 535 A HN 1.345 nan 8.150 nan 0.000 0.449 536 F N -0.324 119.533 119.950 -0.156 0.000 2.216 536 F HA 0.083 4.599 4.527 -0.018 0.000 0.300 536 F C 2.011 177.905 175.800 0.157 0.000 1.085 536 F CA 0.742 58.595 58.000 -0.245 0.000 1.326 536 F CB -0.852 37.853 39.000 -0.491 0.000 1.027 536 F HN 0.137 nan 8.300 nan 0.000 0.497 537 A N 0.537 122.734 122.820 -1.038 0.000 2.209 537 A HA -0.018 4.291 4.320 -0.018 0.000 0.212 537 A C 2.102 179.547 177.584 -0.232 0.000 1.158 537 A CA 1.323 52.908 52.037 -0.753 0.000 0.742 537 A CB -1.500 16.921 19.000 -0.964 0.000 0.790 537 A HN 0.570 nan 8.150 nan 0.000 0.472 538 T N -3.642 110.869 114.554 -0.071 0.000 3.100 538 T HA 0.194 4.533 4.350 -0.018 0.000 0.253 538 T C 0.568 175.293 174.700 0.042 0.000 1.118 538 T CA 0.251 62.354 62.100 0.004 0.000 1.058 538 T CB 0.087 68.976 68.868 0.035 0.000 0.953 538 T HN 0.077 nan 8.240 nan 0.000 0.515 539 K N 0.894 121.366 120.400 0.119 0.000 2.469 539 K HA 0.414 4.724 4.320 -0.018 0.000 0.254 539 K C -0.430 176.227 176.600 0.096 0.000 0.939 539 K CA -0.569 55.714 56.287 -0.006 0.000 0.812 539 K CB 2.120 34.381 32.500 -0.398 0.000 1.301 539 K HN -0.055 nan 8.250 nan 0.000 0.433 540 D N 0.292 120.715 120.400 0.037 0.000 2.162 540 D HA -0.006 4.623 4.640 -0.018 0.000 0.203 540 D C -0.002 176.358 176.300 0.100 0.000 0.967 540 D CA 0.819 54.895 54.000 0.128 0.000 0.840 540 D CB 0.337 41.257 40.800 0.200 0.000 0.972 540 D HN 0.128 nan 8.370 nan 0.000 0.482 541 L N -0.396 120.716 121.223 -0.186 0.000 2.455 541 L HA 0.477 4.806 4.340 -0.018 0.000 0.264 541 L C -1.977 174.763 176.870 -0.216 0.000 0.968 541 L CA -0.622 54.063 54.840 -0.258 0.000 0.827 541 L CB 1.585 43.044 42.059 -0.998 0.000 1.317 541 L HN -0.117 nan 8.230 nan 0.000 0.407 542 W N 3.960 125.254 121.300 -0.010 0.000 2.915 542 W HA 0.754 5.403 4.660 -0.018 0.000 0.337 542 W C -1.281 175.350 176.519 0.187 0.000 1.102 542 W CA -0.797 56.586 57.345 0.063 0.000 1.224 542 W CB 2.021 31.503 29.460 0.038 0.000 1.416 542 W HN 0.154 nan 8.180 nan 0.000 0.503 543 V N 2.450 122.589 119.914 0.376 0.000 2.531 543 V HA 0.748 4.857 4.120 -0.018 0.000 0.301 543 V C -0.078 176.222 176.094 0.344 0.000 1.034 543 V CA -0.829 61.670 62.300 0.332 0.000 0.865 543 V CB 1.371 33.302 31.823 0.180 0.000 0.995 543 V HN 0.593 nan 8.190 nan 0.000 0.424 544 T N 1.404 116.200 114.554 0.403 0.000 2.907 544 T HA 0.761 5.100 4.350 -0.018 0.000 0.290 544 T C -0.486 174.352 174.700 0.230 0.000 1.066 544 T CA -0.966 61.332 62.100 0.330 0.000 1.012 544 T CB 2.172 71.306 68.868 0.444 0.000 1.184 544 T HN 0.509 nan 8.240 nan 0.000 0.522 545 R N 0.838 121.433 120.500 0.159 0.000 2.308 545 R HA 0.346 4.675 4.340 -0.018 0.000 0.305 545 R C -0.901 175.456 176.300 0.095 0.000 1.053 545 R CA -1.065 55.107 56.100 0.119 0.000 0.957 545 R CB -0.637 29.710 30.300 0.079 0.000 1.022 545 R HN 0.776 nan 8.270 nan 0.000 0.461 546 Y N 3.140 123.435 120.300 -0.008 0.000 2.712 546 Y HA 0.273 4.812 4.550 -0.018 0.000 0.333 546 Y C -0.777 175.070 175.900 -0.089 0.000 1.225 546 Y CA 0.845 58.908 58.100 -0.061 0.000 1.499 546 Y CB 0.455 38.847 38.460 -0.114 0.000 1.288 546 Y HN 0.726 nan 8.280 nan 0.000 0.575 547 A N 5.249 127.422 122.820 -1.077 0.000 2.456 547 A HA 0.264 4.574 4.320 -0.018 0.000 0.288 547 A C 0.150 177.106 177.584 -1.046 0.000 1.042 547 A CA -0.309 51.229 52.037 -0.832 0.000 0.738 547 A CB 0.465 19.181 19.000 -0.472 0.000 1.266 547 A HN 0.842 nan 8.150 nan 0.000 0.407 548 D N 1.980 121.894 120.400 -0.810 0.000 2.315 548 D HA -0.210 4.420 4.640 -0.018 0.000 0.211 548 D C 0.608 176.723 176.300 -0.308 0.000 0.977 548 D CA 1.732 55.469 54.000 -0.439 0.000 0.894 548 D CB 0.046 40.778 40.800 -0.112 0.000 0.910 548 D HN 0.579 nan 8.370 nan 0.000 0.490 549 D N -0.166 120.041 120.400 -0.321 0.000 2.349 549 D HA -0.052 4.577 4.640 -0.018 0.000 0.214 549 D C -0.179 175.929 176.300 -0.320 0.000 1.063 549 D CA -0.153 53.701 54.000 -0.242 0.000 0.847 549 D CB -0.560 40.141 40.800 -0.165 0.000 0.933 549 D HN 0.260 nan 8.370 nan 0.000 0.513 550 E N 0.847 120.759 120.200 -0.480 0.000 2.042 550 E HA 0.341 4.680 4.350 -0.018 0.000 0.260 550 E C 0.427 176.894 176.600 -0.222 0.000 0.975 550 E CA -0.237 55.783 56.400 -0.634 0.000 0.799 550 E CB 1.275 30.354 29.700 -1.034 0.000 1.131 550 E HN 0.110 nan 8.360 nan 0.000 0.423 551 R N 1.345 121.712 120.500 -0.222 0.000 2.257 551 R HA 0.132 4.462 4.340 -0.018 0.000 0.195 551 R C -0.192 175.826 176.300 -0.469 0.000 0.921 551 R CA 0.458 56.269 56.100 -0.482 0.000 1.069 551 R CB 0.628 30.318 30.300 -1.016 0.000 1.115 551 R HN 0.320 nan 8.270 nan 0.000 0.571 552 Y N -0.013 120.444 120.300 0.261 0.000 2.499 552 Y HA 0.307 4.846 4.550 -0.018 0.000 0.347 552 Y C -1.826 174.039 175.900 -0.058 0.000 0.987 552 Y CA -3.113 55.069 58.100 0.138 0.000 1.044 552 Y CB 1.299 39.731 38.460 -0.046 0.000 1.245 552 Y HN -0.170 nan 8.280 nan 0.000 0.461 553 P HA -0.068 nan 4.420 nan 0.000 0.233 553 P C 0.645 177.618 177.300 -0.545 0.000 1.167 553 P CA 1.364 64.039 63.100 -0.708 0.000 0.770 553 P CB 0.201 31.361 31.700 -0.899 0.000 0.837 554 T N -5.063 109.308 114.554 -0.305 0.000 3.044 554 T HA 0.509 4.848 4.350 -0.018 0.000 0.260 554 T C 0.916 175.537 174.700 -0.132 0.000 1.019 554 T CA 0.194 62.182 62.100 -0.187 0.000 0.921 554 T CB 0.148 68.951 68.868 -0.107 0.000 1.053 554 T HN 0.329 nan 8.240 nan 0.000 0.533 555 G N 1.209 109.972 108.800 -0.062 0.000 2.592 555 G HA2 -0.115 3.834 3.960 -0.018 0.000 0.684 555 G HA3 -0.115 3.834 3.960 -0.018 0.000 0.684 555 G C -0.387 174.519 174.900 0.011 0.000 1.291 555 G CA -0.100 45.006 45.100 0.010 0.000 0.891 555 G HN 0.086 nan 8.290 nan 0.000 0.544 556 D N -0.677 119.628 120.400 -0.158 0.000 2.194 556 D HA 0.124 4.754 4.640 -0.018 0.000 0.204 556 D C 0.785 176.584 176.300 -0.835 0.000 0.964 556 D CA 1.395 55.090 54.000 -0.507 0.000 0.846 556 D CB -0.044 40.194 40.800 -0.935 0.000 0.962 556 D HN 0.213 nan 8.370 nan 0.000 0.490 557 F N 0.012 119.875 119.950 -0.145 0.000 2.552 557 F HA 0.229 4.745 4.527 -0.018 0.000 0.369 557 F C 1.026 176.727 175.800 -0.166 0.000 1.112 557 F CA -0.665 57.207 58.000 -0.215 0.000 1.129 557 F CB 1.207 40.000 39.000 -0.345 0.000 1.360 557 F HN -0.350 nan 8.300 nan 0.000 0.473 558 V N -0.147 119.741 119.914 -0.043 0.000 2.535 558 V HA -0.116 3.993 4.120 -0.018 0.000 0.246 558 V C 1.214 177.233 176.094 -0.125 0.000 1.045 558 V CA 0.482 62.692 62.300 -0.150 0.000 1.058 558 V CB -0.497 31.133 31.823 -0.322 0.000 0.689 558 V HN 0.640 nan 8.190 nan 0.000 0.461 559 N N 1.573 120.243 118.700 -0.049 0.000 2.374 559 N HA -0.085 4.644 4.740 -0.018 0.000 0.269 559 N C 0.556 176.048 175.510 -0.030 0.000 1.310 559 N CA 0.742 53.771 53.050 -0.035 0.000 0.877 559 N CB -0.240 38.226 38.487 -0.035 0.000 1.096 559 N HN 0.494 nan 8.380 nan 0.000 0.484 560 Q N -0.155 119.623 119.800 -0.036 0.000 2.437 560 Q HA -0.310 4.019 4.340 -0.018 0.000 0.274 560 Q C -0.900 175.099 176.000 -0.002 0.000 1.165 560 Q CA 0.901 56.682 55.803 -0.036 0.000 0.925 560 Q CB -1.684 27.028 28.738 -0.043 0.000 1.327 560 Q HN 0.661 nan 8.270 nan 0.000 0.505 561 H N -0.392 118.592 119.070 -0.143 0.000 2.459 561 H HA 0.533 5.078 4.556 -0.018 0.000 0.332 561 H C -0.077 175.159 175.328 -0.153 0.000 1.094 561 H CA -0.088 55.880 56.048 -0.133 0.000 1.224 561 H CB 1.532 31.225 29.762 -0.115 0.000 1.449 561 H HN 0.160 nan 8.280 nan 0.000 0.484 562 S N 2.277 117.698 115.700 -0.465 0.000 2.632 562 S HA 0.393 4.852 4.470 -0.018 0.000 0.254 562 S C 0.973 175.188 174.600 -0.642 0.000 1.291 562 S CA -0.058 57.875 58.200 -0.445 0.000 0.974 562 S CB -0.047 62.990 63.200 -0.272 0.000 1.016 562 S HN 0.924 nan 8.310 nan 0.000 0.579 563 G N -1.242 107.334 108.800 -0.372 0.000 2.525 563 G HA2 0.457 4.407 3.960 -0.018 0.000 0.276 563 G HA3 0.457 4.407 3.960 -0.018 0.000 0.276 563 G C 0.914 175.640 174.900 -0.290 0.000 1.388 563 G CA 0.095 45.014 45.100 -0.301 0.000 1.050 563 G HN 1.748 nan 8.290 nan 0.000 0.520 564 G N -2.653 106.043 108.800 -0.174 0.000 2.213 564 G HA2 0.281 4.230 3.960 -0.018 0.000 0.226 564 G HA3 0.281 4.230 3.960 -0.018 0.000 0.226 564 G C 0.369 175.238 174.900 -0.051 0.000 0.992 564 G CA 0.943 45.988 45.100 -0.092 0.000 0.632 564 G HN 1.907 nan 8.290 nan 0.000 0.511 565 A N -0.836 121.934 122.820 -0.083 0.000 2.443 565 A HA 1.119 5.428 4.320 -0.018 0.000 0.278 565 A C 1.379 178.773 177.584 -0.316 0.000 1.252 565 A CA 1.004 52.991 52.037 -0.084 0.000 0.816 565 A CB 0.782 19.853 19.000 0.118 0.000 1.369 565 A HN 2.293 nan 8.150 nan 0.000 0.446 566 G N -1.608 106.869 108.800 -0.538 0.000 2.698 566 G HA2 -0.116 3.834 3.960 -0.018 0.000 0.233 566 G HA3 -0.116 3.834 3.960 -0.018 0.000 0.233 566 G C 0.758 174.796 174.900 -1.436 0.000 1.352 566 G CA 0.056 44.594 45.100 -0.936 0.000 0.879 566 G HN 1.324 nan 8.290 nan 0.000 0.567 567 L N 0.835 121.315 121.223 -1.237 0.000 2.010 567 L HA -0.170 4.159 4.340 -0.018 0.000 0.219 567 L C 0.355 176.851 176.870 -0.624 0.000 1.077 567 L CA 2.845 57.025 54.840 -1.100 0.000 0.773 567 L CB -1.399 39.750 42.059 -1.517 0.000 0.892 567 L HN 0.464 nan 8.230 nan 0.000 0.436 568 P HA -0.167 nan 4.420 nan 0.000 0.218 568 P C 1.747 178.984 177.300 -0.105 0.000 1.148 568 P CA 1.853 64.879 63.100 -0.124 0.000 0.822 568 P CB -0.004 31.639 31.700 -0.095 0.000 0.784 569 S N -2.770 112.798 115.700 -0.221 0.000 2.439 569 S HA -0.097 4.363 4.470 -0.018 0.000 0.224 569 S C 1.855 176.485 174.600 0.049 0.000 1.029 569 S CA 0.418 58.564 58.200 -0.090 0.000 0.946 569 S CB -1.369 61.774 63.200 -0.095 0.000 0.797 569 S HN -0.032 nan 8.310 nan 0.000 0.504 570 Y N 2.451 122.693 120.300 -0.097 0.000 2.114 570 Y HA 0.055 4.594 4.550 -0.018 0.000 0.284 570 Y C 2.556 178.443 175.900 -0.022 0.000 1.143 570 Y CA -0.276 57.776 58.100 -0.080 0.000 1.135 570 Y CB -1.144 37.229 38.460 -0.145 0.000 0.980 570 Y HN 0.198 nan 8.280 nan 0.000 0.499 571 I N 0.215 120.884 120.570 0.165 0.000 2.248 571 I HA -0.302 3.858 4.170 -0.018 0.000 0.248 571 I C 2.498 178.684 176.117 0.114 0.000 1.107 571 I CA 1.540 62.934 61.300 0.157 0.000 1.373 571 I CB -1.720 36.409 38.000 0.215 0.000 1.055 571 I HN 0.143 nan 8.210 nan 0.000 0.418 572 A N 0.077 122.950 122.820 0.087 0.000 2.076 572 A HA -0.230 4.080 4.320 -0.018 0.000 0.220 572 A C 2.150 179.770 177.584 0.060 0.000 1.160 572 A CA 1.216 53.292 52.037 0.064 0.000 0.653 572 A CB -0.635 18.392 19.000 0.045 0.000 0.801 572 A HN 0.563 nan 8.150 nan 0.000 0.455 573 Q N -1.296 118.546 119.800 0.070 0.000 2.364 573 Q HA -0.124 4.205 4.340 -0.018 0.000 0.207 573 Q C 0.198 176.230 176.000 0.053 0.000 0.970 573 Q CA 0.555 56.392 55.803 0.056 0.000 0.888 573 Q CB -0.114 28.656 28.738 0.054 0.000 0.951 573 Q HN 0.624 nan 8.270 nan 0.000 0.469 574 D N 0.678 121.117 120.400 0.065 0.000 2.686 574 D HA -0.179 4.451 4.640 -0.018 0.000 0.235 574 D C -0.800 175.534 176.300 0.057 0.000 1.160 574 D CA 0.614 54.650 54.000 0.061 0.000 0.645 574 D CB -0.554 40.275 40.800 0.049 0.000 1.039 574 D HN 0.230 nan 8.370 nan 0.000 0.423 575 R N 0.150 120.688 120.500 0.062 0.000 2.738 575 R HA 0.338 4.668 4.340 -0.018 0.000 0.275 575 R C 0.262 176.599 176.300 0.061 0.000 1.121 575 R CA -0.331 55.803 56.100 0.056 0.000 1.207 575 R CB 0.308 30.640 30.300 0.053 0.000 1.141 575 R HN 0.183 nan 8.270 nan 0.000 0.571 576 D N 0.938 121.372 120.400 0.056 0.000 2.295 576 D HA 0.104 4.733 4.640 -0.018 0.000 0.248 576 D C 0.466 176.808 176.300 0.069 0.000 1.154 576 D CA -0.262 53.773 54.000 0.058 0.000 0.857 576 D CB 0.627 41.456 40.800 0.048 0.000 1.117 576 D HN 0.529 nan 8.370 nan 0.000 0.468 577 I N -0.111 120.505 120.570 0.077 0.000 4.154 577 I HA 0.355 4.515 4.170 -0.018 0.000 0.334 577 I C 0.327 176.495 176.117 0.084 0.000 1.371 577 I CA -0.433 60.921 61.300 0.089 0.000 1.110 577 I CB 0.437 38.500 38.000 0.106 0.000 1.085 577 I HN 0.112 nan 8.210 nan 0.000 0.398 578 D N 3.155 123.598 120.400 0.072 0.000 2.470 578 D HA 0.313 4.942 4.640 -0.018 0.000 0.226 578 D C 1.095 177.433 176.300 0.064 0.000 1.196 578 D CA 0.713 54.753 54.000 0.067 0.000 0.979 578 D CB 0.122 40.957 40.800 0.057 0.000 1.059 578 D HN 0.568 nan 8.370 nan 0.000 0.515 579 G N 3.056 111.899 108.800 0.070 0.000 2.325 579 G HA2 -0.180 3.769 3.960 -0.018 0.000 0.248 579 G HA3 -0.180 3.769 3.960 -0.018 0.000 0.248 579 G C -0.059 174.885 174.900 0.072 0.000 1.108 579 G CA -0.344 44.797 45.100 0.068 0.000 0.881 579 G HN 0.473 nan 8.290 nan 0.000 0.494 580 Q N -0.697 119.154 119.800 0.084 0.000 2.683 580 Q HA 0.410 4.739 4.340 -0.018 0.000 0.302 580 Q C -0.973 175.092 176.000 0.108 0.000 1.042 580 Q CA -0.907 54.948 55.803 0.086 0.000 0.773 580 Q CB 0.993 29.777 28.738 0.078 0.000 1.508 580 Q HN 0.231 nan 8.270 nan 0.000 0.459 581 D N 1.824 122.279 120.400 0.092 0.000 2.344 581 D HA 0.310 4.939 4.640 -0.018 0.000 0.253 581 D C -0.395 175.978 176.300 0.122 0.000 1.255 581 D CA 0.068 54.117 54.000 0.082 0.000 0.894 581 D CB -0.200 40.549 40.800 -0.085 0.000 1.067 581 D HN 0.433 nan 8.370 nan 0.000 0.492 582 I N 0.059 120.714 120.570 0.141 0.000 3.002 582 I HA 0.688 4.847 4.170 -0.018 0.000 0.310 582 I C -1.039 175.144 176.117 0.111 0.000 1.087 582 I CA -1.065 60.318 61.300 0.139 0.000 1.017 582 I CB 2.265 40.341 38.000 0.127 0.000 1.226 582 I HN -0.076 nan 8.210 nan 0.000 0.443 583 V N 3.490 123.460 119.914 0.093 0.000 2.638 583 V HA 0.420 4.529 4.120 -0.018 0.000 0.306 583 V C -0.253 175.803 176.094 -0.064 0.000 1.052 583 V CA -0.671 61.592 62.300 -0.061 0.000 0.885 583 V CB 1.886 33.599 31.823 -0.183 0.000 0.999 583 V HN 0.568 nan 8.190 nan 0.000 0.424 584 V N 3.625 123.456 119.914 -0.139 0.000 2.394 584 V HA 0.451 4.560 4.120 -0.018 0.000 0.282 584 V C -1.096 174.946 176.094 -0.085 0.000 1.031 584 V CA -0.456 61.834 62.300 -0.017 0.000 0.881 584 V CB 1.535 33.352 31.823 -0.011 0.000 0.982 584 V HN 0.913 nan 8.190 nan 0.000 0.451 585 W N 4.137 125.490 121.300 0.090 0.000 2.318 585 W HA 0.469 5.119 4.660 -0.018 0.000 0.315 585 W C 0.111 176.738 176.519 0.180 0.000 1.033 585 W CA -0.471 56.934 57.345 0.100 0.000 1.275 585 W CB 0.418 29.913 29.460 0.059 0.000 1.250 585 W HN 0.569 nan 8.180 nan 0.000 0.421 586 H N 2.331 121.499 119.070 0.164 0.000 2.504 586 H HA 0.374 4.919 4.556 -0.018 0.000 0.322 586 H C -0.527 174.975 175.328 0.291 0.000 1.055 586 H CA -0.337 55.764 56.048 0.087 0.000 1.231 586 H CB 1.151 30.767 29.762 -0.243 0.000 1.417 586 H HN 0.159 nan 8.280 nan 0.000 0.472 587 T N 7.114 121.692 114.554 0.041 0.000 2.771 587 T HA 0.269 4.608 4.350 -0.018 0.000 0.291 587 T C -0.839 173.763 174.700 -0.163 0.000 0.954 587 T CA -0.301 61.830 62.100 0.051 0.000 1.045 587 T CB -0.277 68.701 68.868 0.184 0.000 0.917 587 T HN 0.466 nan 8.240 nan 0.000 0.484 588 F N 0.308 120.145 119.950 -0.187 0.000 2.588 588 F HA 0.835 5.352 4.527 -0.017 0.000 0.314 588 F C -0.261 175.643 175.800 0.173 0.000 1.134 588 F CA -1.119 56.833 58.000 -0.081 0.000 0.961 588 F CB 1.065 39.976 39.000 -0.148 0.000 1.239 588 F HN 0.739 nan 8.300 nan 0.000 0.448 589 G N 2.401 111.294 108.800 0.155 0.000 2.645 589 G HA2 0.612 4.561 3.960 -0.018 0.000 0.292 589 G HA3 0.612 4.561 3.960 -0.018 0.000 0.292 589 G C -2.362 172.630 174.900 0.153 0.000 1.415 589 G CA -1.186 44.005 45.100 0.152 0.000 0.785 589 G HN 0.827 nan 8.290 nan 0.000 0.483 590 L N 0.561 121.870 121.223 0.144 0.000 2.309 590 L HA 0.532 4.861 4.340 -0.018 0.000 0.282 590 L C -0.019 176.848 176.870 -0.005 0.000 1.036 590 L CA -0.588 54.299 54.840 0.079 0.000 0.806 590 L CB 2.141 44.242 42.059 0.069 0.000 1.220 590 L HN 0.397 nan 8.230 nan 0.000 0.429 591 T N 1.217 115.722 114.554 -0.082 0.000 2.770 591 T HA 0.212 4.551 4.350 -0.018 0.000 0.297 591 T C -0.573 173.925 174.700 -0.336 0.000 0.997 591 T CA -0.236 61.710 62.100 -0.256 0.000 0.949 591 T CB -0.020 68.713 68.868 -0.225 0.000 0.941 591 T HN 0.420 nan 8.240 nan 0.000 0.457 592 H N 3.187 121.877 119.070 -0.632 0.000 2.597 592 H HA 0.382 4.928 4.556 -0.018 0.000 0.303 592 H C -1.062 173.819 175.328 -0.745 0.000 1.057 592 H CA -1.088 54.608 56.048 -0.587 0.000 1.261 592 H CB 0.284 29.713 29.762 -0.556 0.000 1.397 592 H HN 0.439 nan 8.280 nan 0.000 0.461 593 F N 6.839 126.721 119.950 -0.113 0.000 2.291 593 F HA 0.273 4.790 4.527 -0.018 0.000 0.368 593 F C -2.005 173.812 175.800 0.028 0.000 1.085 593 F CA -2.486 55.304 58.000 -0.350 0.000 1.165 593 F CB 0.752 39.427 39.000 -0.540 0.000 1.429 593 F HN 0.526 nan 8.300 nan 0.000 0.503 594 P HA 0.024 nan 4.420 nan 0.000 0.264 594 P C -0.443 176.993 177.300 0.227 0.000 1.179 594 P CA 0.033 63.227 63.100 0.157 0.000 0.763 594 P CB 0.547 32.274 31.700 0.045 0.000 0.806 595 R N 1.223 121.859 120.500 0.227 0.000 2.888 595 R HA 0.423 4.753 4.340 -0.018 0.000 0.266 595 R C 0.373 176.765 176.300 0.154 0.000 1.020 595 R CA -0.841 55.354 56.100 0.159 0.000 0.963 595 R CB 0.380 30.762 30.300 0.135 0.000 1.197 595 R HN 0.067 nan 8.270 nan 0.000 0.481 596 V N 1.242 121.222 119.914 0.110 0.000 2.439 596 V HA -0.262 3.847 4.120 -0.018 0.000 0.253 596 V C 1.603 177.797 176.094 0.166 0.000 1.074 596 V CA 2.264 64.641 62.300 0.128 0.000 1.076 596 V CB -0.739 31.131 31.823 0.079 0.000 0.664 596 V HN 0.768 nan 8.190 nan 0.000 0.461 597 E N -0.244 120.031 120.200 0.126 0.000 2.409 597 E HA -0.135 4.204 4.350 -0.018 0.000 0.198 597 E C 1.671 178.342 176.600 0.117 0.000 1.024 597 E CA 0.718 57.179 56.400 0.102 0.000 0.861 597 E CB -0.226 29.514 29.700 0.067 0.000 0.788 597 E HN 0.590 nan 8.360 nan 0.000 0.521 598 D N -0.965 119.543 120.400 0.180 0.000 2.347 598 D HA -0.068 4.561 4.640 -0.018 0.000 0.213 598 D C -0.187 176.259 176.300 0.243 0.000 0.985 598 D CA 0.276 54.399 54.000 0.204 0.000 0.879 598 D CB 0.126 41.106 40.800 0.300 0.000 0.919 598 D HN 0.216 nan 8.370 nan 0.000 0.526 599 W N 2.390 123.723 121.300 0.055 0.000 2.496 599 W HA 0.190 4.839 4.660 -0.018 0.000 0.327 599 W C -1.800 174.757 176.519 0.062 0.000 1.086 599 W CA -1.960 55.420 57.345 0.058 0.000 1.222 599 W CB 1.971 31.464 29.460 0.055 0.000 1.304 599 W HN -0.174 nan 8.180 nan 0.000 0.547 600 P HA 0.086 nan 4.420 nan 0.000 0.235 600 P C 0.018 176.889 177.300 -0.715 0.000 1.177 600 P CA 0.872 63.125 63.100 -1.412 0.000 0.785 600 P CB 1.420 32.578 31.700 -0.905 0.000 0.885 601 I N 0.557 120.887 120.570 -0.401 0.000 2.534 601 I HA 0.287 4.447 4.170 -0.018 0.000 0.288 601 I C -0.377 175.609 176.117 -0.218 0.000 1.077 601 I CA -1.850 59.211 61.300 -0.399 0.000 1.051 601 I CB 2.316 39.829 38.000 -0.813 0.000 1.234 601 I HN -0.241 nan 8.210 nan 0.000 0.425 602 M N 8.567 128.089 119.600 -0.130 0.000 2.217 602 M HA 0.588 5.058 4.480 -0.018 0.000 0.354 602 M C -2.614 173.639 176.300 -0.077 0.000 1.225 602 M CA -1.047 54.227 55.300 -0.043 0.000 1.137 602 M CB 0.549 33.179 32.600 0.050 0.000 1.576 602 M HN 0.200 nan 8.290 nan 0.000 0.461 603 P HA 0.187 nan 4.420 nan 0.000 0.275 603 P C -0.744 176.520 177.300 -0.060 0.000 1.228 603 P CA -0.555 62.510 63.100 -0.059 0.000 0.786 603 P CB 0.852 32.528 31.700 -0.040 0.000 0.927 604 V N 3.059 122.940 119.914 -0.056 0.000 2.644 604 V HA -0.047 4.062 4.120 -0.018 0.000 0.305 604 V C 0.625 176.674 176.094 -0.075 0.000 1.053 604 V CA 1.107 63.375 62.300 -0.054 0.000 1.186 604 V CB -0.147 31.659 31.823 -0.028 0.000 0.895 604 V HN 0.600 nan 8.190 nan 0.000 0.490 605 D N 2.672 123.012 120.400 -0.100 0.000 2.340 605 D HA 0.712 5.342 4.640 -0.018 0.000 0.240 605 D C -0.210 176.028 176.300 -0.104 0.000 1.001 605 D CA -0.183 53.751 54.000 -0.110 0.000 0.888 605 D CB 2.249 42.949 40.800 -0.167 0.000 1.310 605 D HN 0.726 nan 8.370 nan 0.000 0.474 606 T N -1.344 113.163 114.554 -0.078 0.000 2.901 606 T HA 0.766 5.105 4.350 -0.018 0.000 0.293 606 T C -0.923 173.775 174.700 -0.004 0.000 1.084 606 T CA -0.799 61.252 62.100 -0.082 0.000 1.008 606 T CB 1.493 70.301 68.868 -0.101 0.000 1.170 606 T HN 0.259 nan 8.240 nan 0.000 0.509 607 V N -0.447 119.457 119.914 -0.017 0.000 3.204 607 V HA 0.898 5.007 4.120 -0.018 0.000 0.298 607 V C -0.172 175.905 176.094 -0.029 0.000 1.328 607 V CA 0.547 62.916 62.300 0.115 0.000 1.035 607 V CB 1.730 33.680 31.823 0.212 0.000 1.095 607 V HN 1.720 nan 8.190 nan 0.000 0.442 608 G N 2.332 110.961 108.800 -0.284 0.000 2.392 608 G HA2 0.662 4.611 3.960 -0.018 0.000 0.260 608 G HA3 0.662 4.611 3.960 -0.018 0.000 0.260 608 G C -1.444 172.918 174.900 -0.897 0.000 1.226 608 G CA 0.247 44.976 45.100 -0.618 0.000 0.913 608 G HN 1.969 nan 8.290 nan 0.000 0.483 609 F N -1.173 118.433 119.950 -0.573 0.000 2.900 609 F HA 0.850 5.366 4.527 -0.018 0.000 0.321 609 F C -1.120 174.677 175.800 -0.005 0.000 1.160 609 F CA -0.804 57.050 58.000 -0.244 0.000 0.890 609 F CB 1.401 40.285 39.000 -0.194 0.000 1.334 609 F HN 0.889 nan 8.300 nan 0.000 0.459 610 K N 0.736 121.267 120.400 0.219 0.000 2.579 610 K HA 0.818 5.127 4.320 -0.018 0.000 0.284 610 K C -2.536 174.293 176.600 0.381 0.000 0.990 610 K CA -1.055 55.342 56.287 0.183 0.000 0.880 610 K CB 2.528 35.110 32.500 0.137 0.000 1.488 610 K HN 0.753 nan 8.250 nan 0.000 0.425 611 L N 1.280 122.729 121.223 0.376 0.000 2.385 611 L HA 0.587 4.917 4.340 -0.018 0.000 0.273 611 L C -0.556 176.585 176.870 0.450 0.000 0.990 611 L CA -0.608 54.493 54.840 0.435 0.000 0.821 611 L CB 2.098 44.438 42.059 0.468 0.000 1.279 611 L HN 0.550 nan 8.230 nan 0.000 0.412 612 R N 2.910 123.595 120.500 0.308 0.000 2.711 612 R HA 0.547 4.876 4.340 -0.018 0.000 0.284 612 R C -2.608 173.457 176.300 -0.392 0.000 0.968 612 R CA -1.939 54.208 56.100 0.079 0.000 0.924 612 R CB 1.999 32.374 30.300 0.125 0.000 1.162 612 R HN 0.282 nan 8.270 nan 0.000 0.465 613 P HA -0.031 nan 4.420 nan 0.000 0.266 613 P C -0.636 176.473 177.300 -0.320 0.000 1.195 613 P CA 0.202 62.729 63.100 -0.956 0.000 0.768 613 P CB 0.700 32.185 31.700 -0.359 0.000 0.838 614 E N 1.956 122.030 120.200 -0.210 0.000 2.873 614 E HA 0.437 4.776 4.350 -0.018 0.000 0.232 614 E C 0.608 177.222 176.600 0.022 0.000 1.123 614 E CA -0.417 55.959 56.400 -0.041 0.000 0.809 614 E CB -0.644 29.049 29.700 -0.012 0.000 1.366 614 E HN 0.673 nan 8.360 nan 0.000 0.400 615 G N 3.184 112.009 108.800 0.041 0.000 2.160 615 G HA2 -0.347 3.602 3.960 -0.018 0.000 0.244 615 G HA3 -0.347 3.602 3.960 -0.018 0.000 0.244 615 G C 0.408 175.341 174.900 0.056 0.000 1.022 615 G CA 0.378 45.507 45.100 0.048 0.000 0.741 615 G HN 0.515 nan 8.290 nan 0.000 0.508 616 F N 0.084 119.953 119.950 -0.135 0.000 2.179 616 F HA 0.493 5.010 4.527 -0.018 0.000 0.292 616 F C 1.360 176.926 175.800 -0.390 0.000 1.089 616 F CA 0.448 58.269 58.000 -0.298 0.000 1.295 616 F CB 0.055 38.774 39.000 -0.469 0.000 1.041 616 F HN 0.102 nan 8.300 nan 0.000 0.487 617 F N 0.618 120.593 119.950 0.042 0.000 2.380 617 F HA 0.217 4.733 4.527 -0.019 0.000 0.321 617 F C 1.439 177.203 175.800 -0.060 0.000 1.103 617 F CA -0.708 57.259 58.000 -0.054 0.000 1.067 617 F CB 0.234 39.206 39.000 -0.048 0.000 1.265 617 F HN -0.223 nan 8.300 nan 0.000 0.517 618 D N 0.113 120.593 120.400 0.133 0.000 2.355 618 D HA 0.037 4.667 4.640 -0.018 0.000 0.218 618 D C 0.497 176.828 176.300 0.052 0.000 1.004 618 D CA 0.672 54.704 54.000 0.054 0.000 0.880 618 D CB 0.244 41.058 40.800 0.025 0.000 0.911 618 D HN 0.544 nan 8.370 nan 0.000 0.528 619 R N -2.139 118.406 120.500 0.074 0.000 2.888 619 R HA 0.205 4.534 4.340 -0.018 0.000 0.277 619 R C -0.790 175.509 176.300 -0.002 0.000 0.981 619 R CA -0.745 55.371 56.100 0.026 0.000 0.841 619 R CB 0.378 30.681 30.300 0.005 0.000 1.405 619 R HN -0.168 nan 8.270 nan 0.000 0.472 620 S N 0.341 116.015 115.700 -0.044 0.000 2.546 620 S HA 0.138 4.597 4.470 -0.018 0.000 0.290 620 S C -1.639 172.861 174.600 -0.168 0.000 1.290 620 S CA -0.854 57.284 58.200 -0.103 0.000 1.069 620 S CB 0.520 63.682 63.200 -0.063 0.000 0.846 620 S HN 0.453 nan 8.310 nan 0.000 0.495 621 P HA 0.086 nan 4.420 nan 0.000 0.249 621 P C 0.491 177.697 177.300 -0.157 0.000 1.229 621 P CA 0.210 63.056 63.100 -0.422 0.000 0.788 621 P CB -0.007 31.044 31.700 -1.082 0.000 1.072 622 V N -4.564 115.293 119.914 -0.095 0.000 3.177 622 V HA 0.214 4.323 4.120 -0.018 0.000 0.342 622 V C 1.348 177.465 176.094 0.038 0.000 1.379 622 V CA 0.080 62.376 62.300 -0.007 0.000 1.191 622 V CB -1.085 30.754 31.823 0.026 0.000 1.167 622 V HN -0.032 nan 8.190 nan 0.000 0.471 623 L N 1.434 122.671 121.223 0.024 0.000 2.376 623 L HA -0.015 4.314 4.340 -0.018 0.000 0.219 623 L C 2.112 179.022 176.870 0.067 0.000 1.133 623 L CA 1.556 56.431 54.840 0.058 0.000 0.816 623 L CB -0.313 41.759 42.059 0.021 0.000 0.933 623 L HN 0.567 nan 8.230 nan 0.000 0.449 624 D N -0.938 119.485 120.400 0.037 0.000 2.339 624 D HA -0.011 4.618 4.640 -0.018 0.000 0.217 624 D C 0.711 177.022 176.300 0.019 0.000 1.050 624 D CA -0.026 53.991 54.000 0.027 0.000 0.856 624 D CB -0.315 40.491 40.800 0.010 0.000 0.922 624 D HN -0.024 nan 8.370 nan 0.000 0.518 625 V N 2.123 122.052 119.914 0.026 0.000 2.599 625 V HA 0.112 4.222 4.120 -0.018 0.000 0.300 625 V C -1.782 174.312 176.094 -0.001 0.000 1.034 625 V CA -0.922 61.382 62.300 0.006 0.000 1.115 625 V CB 0.531 32.361 31.823 0.012 0.000 0.934 625 V HN 0.072 nan 8.190 nan 0.000 0.485 626 P HA 0.167 nan 4.420 nan 0.000 0.270 626 P C 0.503 177.777 177.300 -0.044 0.000 1.223 626 P CA 0.008 63.097 63.100 -0.018 0.000 0.785 626 P CB 0.699 32.390 31.700 -0.015 0.000 0.923 627 A N 2.231 125.023 122.820 -0.048 0.000 1.873 627 A HA -0.132 4.177 4.320 -0.018 0.000 0.215 627 A C 0.678 178.224 177.584 -0.064 0.000 1.186 627 A CA 1.176 53.164 52.037 -0.083 0.000 0.616 627 A CB -1.329 17.637 19.000 -0.057 0.000 0.823 627 A HN 0.697 nan 8.150 nan 0.000 0.442 628 N N 0.000 118.679 118.700 -0.035 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667