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 1iu7_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 0.000 177.587 177.584 0.004 0.000 1.274 9 A CA 0.000 52.041 52.037 0.007 0.000 0.836 9 A CB 0.000 19.010 19.000 0.017 0.000 0.831 10 S N 1.117 116.830 115.700 0.022 0.000 2.562 10 S HA 0.430 4.889 4.470 -0.018 0.000 0.281 10 S C -1.767 172.832 174.600 -0.002 0.000 1.333 10 S CA -0.394 57.836 58.200 0.051 0.000 1.052 10 S CB 0.744 64.013 63.200 0.115 0.000 0.884 10 S HN 0.277 nan 8.310 nan 0.000 0.506 11 P HA 0.112 nan 4.420 nan 0.000 0.237 11 P C -0.024 176.969 177.300 -0.512 0.000 1.178 11 P CA 0.716 63.627 63.100 -0.316 0.000 0.766 11 P CB -0.021 31.404 31.700 -0.458 0.000 0.876 12 F N -0.370 119.506 119.950 -0.124 0.000 2.664 12 F HA 0.177 4.693 4.527 -0.017 0.000 0.303 12 F C 1.490 177.219 175.800 -0.118 0.000 1.092 12 F CA -0.691 57.187 58.000 -0.203 0.000 1.305 12 F CB -0.241 38.627 39.000 -0.220 0.000 1.054 12 F HN -0.180 nan 8.300 nan 0.000 0.565 13 R N 0.988 121.516 120.500 0.048 0.000 2.784 13 R HA 0.216 4.546 4.340 -0.018 0.000 0.266 13 R C -0.197 176.124 176.300 0.035 0.000 1.044 13 R CA -0.409 55.726 56.100 0.058 0.000 1.151 13 R CB 0.441 30.767 30.300 0.043 0.000 1.037 13 R HN 0.164 nan 8.270 nan 0.000 0.478 14 L N 1.684 122.942 121.223 0.059 0.000 2.467 14 L HA 0.159 4.489 4.340 -0.018 0.000 0.270 14 L C 0.768 177.677 176.870 0.065 0.000 1.205 14 L CA -0.206 54.672 54.840 0.063 0.000 0.828 14 L CB 0.604 42.703 42.059 0.068 0.000 1.101 14 L HN 0.858 nan 8.230 nan 0.000 0.479 15 A N 2.280 125.152 122.820 0.086 0.000 2.511 15 A HA 0.339 4.649 4.320 -0.018 0.000 0.242 15 A C 0.346 178.004 177.584 0.123 0.000 1.069 15 A CA -0.193 51.944 52.037 0.168 0.000 0.763 15 A CB 0.039 19.203 19.000 0.272 0.000 1.001 15 A HN 0.748 nan 8.150 nan 0.000 0.498 16 S N 1.458 117.226 115.700 0.113 0.000 2.654 16 S HA 0.610 5.070 4.470 -0.018 0.000 0.283 16 S C 1.200 175.818 174.600 0.030 0.000 1.180 16 S CA -0.232 58.002 58.200 0.057 0.000 1.021 16 S CB 1.559 64.785 63.200 0.042 0.000 1.018 16 S HN 1.565 nan 8.310 nan 0.000 0.532 17 A N 1.887 124.714 122.820 0.012 0.000 1.917 17 A HA 0.064 4.374 4.320 -0.018 0.000 0.219 17 A C 2.146 179.713 177.584 -0.028 0.000 1.182 17 A CA 1.950 53.983 52.037 -0.007 0.000 0.633 17 A CB -1.813 17.184 19.000 -0.004 0.000 0.819 17 A HN 1.180 nan 8.150 nan 0.000 0.448 18 G N -0.716 108.071 108.800 -0.022 0.000 2.422 18 G HA2 -0.209 3.740 3.960 -0.018 0.000 0.218 18 G HA3 -0.209 3.740 3.960 -0.018 0.000 0.218 18 G C 1.434 176.290 174.900 -0.074 0.000 1.146 18 G CA 0.980 46.058 45.100 -0.037 0.000 0.769 18 G HN 0.673 nan 8.290 nan 0.000 0.547 19 E N -0.106 120.049 120.200 -0.075 0.000 2.072 19 E HA -0.042 4.297 4.350 -0.018 0.000 0.191 19 E C 2.499 178.870 176.600 -0.381 0.000 0.985 19 E CA 0.513 56.807 56.400 -0.176 0.000 0.801 19 E CB -0.110 29.575 29.700 -0.025 0.000 0.750 19 E HN 0.487 nan 8.360 nan 0.000 0.452 20 I N 0.817 121.227 120.570 -0.267 0.000 2.252 20 I HA -0.242 3.917 4.170 -0.018 0.000 0.245 20 I C 2.356 178.352 176.117 -0.202 0.000 1.102 20 I CA 0.803 61.938 61.300 -0.275 0.000 1.385 20 I CB -0.110 37.816 38.000 -0.123 0.000 1.064 20 I HN -0.019 nan 8.210 nan 0.000 0.414 21 S N 0.100 115.722 115.700 -0.130 0.000 2.382 21 S HA -0.221 4.238 4.470 -0.018 0.000 0.228 21 S C 1.901 176.437 174.600 -0.108 0.000 1.027 21 S CA 1.374 59.520 58.200 -0.090 0.000 0.991 21 S CB -0.233 62.932 63.200 -0.058 0.000 0.823 21 S HN 0.378 nan 8.310 nan 0.000 0.469 22 E N 1.193 121.309 120.200 -0.141 0.000 2.106 22 E HA -0.058 4.282 4.350 -0.018 0.000 0.192 22 E C 1.868 178.373 176.600 -0.159 0.000 0.984 22 E CA 0.716 57.037 56.400 -0.132 0.000 0.806 22 E CB -0.285 29.339 29.700 -0.126 0.000 0.750 22 E HN 0.248 nan 8.360 nan 0.000 0.458 23 V N 0.846 120.605 119.914 -0.258 0.000 2.343 23 V HA -0.268 3.841 4.120 -0.018 0.000 0.247 23 V C 2.533 178.547 176.094 -0.132 0.000 1.051 23 V CA 2.168 64.320 62.300 -0.247 0.000 1.036 23 V CB -0.571 31.008 31.823 -0.408 0.000 0.654 23 V HN 0.402 nan 8.190 nan 0.000 0.451 24 Q N 0.168 119.899 119.800 -0.115 0.000 2.050 24 Q HA -0.180 4.150 4.340 -0.018 0.000 0.202 24 Q C 2.279 178.255 176.000 -0.040 0.000 0.980 24 Q CA 2.164 57.933 55.803 -0.056 0.000 0.840 24 Q CB -0.524 28.190 28.738 -0.039 0.000 0.898 24 Q HN 0.631 nan 8.270 nan 0.000 0.424 25 G N 1.047 109.817 108.800 -0.049 0.000 2.440 25 G HA2 -0.245 3.704 3.960 -0.018 0.000 0.218 25 G HA3 -0.245 3.704 3.960 -0.018 0.000 0.218 25 G C 1.416 176.298 174.900 -0.031 0.000 1.154 25 G CA 0.995 46.074 45.100 -0.036 0.000 0.767 25 G HN 0.383 nan 8.290 nan 0.000 0.552 26 I N 0.293 120.838 120.570 -0.042 0.000 2.226 26 I HA -0.120 4.039 4.170 -0.018 0.000 0.245 26 I C 2.702 178.809 176.117 -0.016 0.000 1.100 26 I CA 0.667 61.949 61.300 -0.029 0.000 1.374 26 I CB -0.191 37.787 38.000 -0.037 0.000 1.057 26 I HN 0.128 nan 8.210 nan 0.000 0.413 27 L N 0.031 121.244 121.223 -0.017 0.000 2.056 27 L HA -0.179 4.151 4.340 -0.018 0.000 0.207 27 L C 2.772 179.644 176.870 0.003 0.000 1.078 27 L CA 1.312 56.151 54.840 -0.000 0.000 0.749 27 L CB -0.559 41.502 42.059 0.004 0.000 0.901 27 L HN 0.153 nan 8.230 nan 0.000 0.433 28 R N -0.583 119.916 120.500 -0.001 0.000 2.073 28 R HA -0.137 4.193 4.340 -0.018 0.000 0.234 28 R C 2.304 178.604 176.300 -0.001 0.000 1.134 28 R CA 1.962 58.063 56.100 0.002 0.000 0.952 28 R CB -0.664 29.636 30.300 -0.001 0.000 0.850 28 R HN 0.288 nan 8.270 nan 0.000 0.433 29 T N 0.676 115.227 114.554 -0.005 0.000 2.759 29 T HA -0.140 4.200 4.350 -0.018 0.000 0.269 29 T C 1.693 176.392 174.700 -0.002 0.000 1.042 29 T CA 1.447 63.544 62.100 -0.005 0.000 1.140 29 T CB -0.137 68.726 68.868 -0.008 0.000 0.864 29 T HN 0.376 nan 8.240 nan 0.000 0.455 30 A N 0.231 123.051 122.820 0.000 0.000 2.235 30 A HA 0.487 4.796 4.320 -0.018 0.000 0.208 30 A C 1.898 179.485 177.584 0.005 0.000 1.172 30 A CA 0.861 52.900 52.037 0.004 0.000 0.786 30 A CB -0.743 18.261 19.000 0.007 0.000 0.804 30 A HN 0.739 nan 8.150 nan 0.000 0.479 31 G N -1.253 107.549 108.800 0.004 0.000 2.147 31 G HA2 -0.240 3.710 3.960 -0.018 0.000 0.244 31 G HA3 -0.240 3.710 3.960 -0.018 0.000 0.244 31 G C 0.538 175.442 174.900 0.007 0.000 1.005 31 G CA 0.515 45.618 45.100 0.004 0.000 0.713 31 G HN 0.510 nan 8.290 nan 0.000 0.515 32 L N -1.388 119.842 121.223 0.011 0.000 2.616 32 L HA 0.470 4.800 4.340 -0.018 0.000 0.229 32 L C 1.173 178.056 176.870 0.021 0.000 1.110 32 L CA 0.143 54.993 54.840 0.017 0.000 0.884 32 L CB 0.545 42.618 42.059 0.024 0.000 1.115 32 L HN 0.195 nan 8.230 nan 0.000 0.481 33 L N 0.525 121.760 121.223 0.021 0.000 2.783 33 L HA 0.491 4.820 4.340 -0.018 0.000 0.265 33 L C 0.660 177.550 176.870 0.033 0.000 1.398 33 L CA -0.193 54.666 54.840 0.032 0.000 0.802 33 L CB 0.453 42.532 42.059 0.035 0.000 1.126 33 L HN -0.052 nan 8.230 nan 0.000 0.529 34 G N 0.443 109.258 108.800 0.024 0.000 2.611 34 G HA2 0.269 4.218 3.960 -0.018 0.000 0.273 34 G HA3 0.269 4.218 3.960 -0.018 0.000 0.273 34 G C -1.474 173.449 174.900 0.038 0.000 1.305 34 G CA -0.403 44.710 45.100 0.021 0.000 1.010 34 G HN 0.369 nan 8.290 nan 0.000 0.509 35 P HA -0.068 nan 4.420 nan 0.000 0.221 35 P C 0.844 178.184 177.300 0.066 0.000 1.145 35 P CA 1.028 64.153 63.100 0.042 0.000 0.795 35 P CB 0.353 32.061 31.700 0.013 0.000 0.775 36 E N -0.433 119.789 120.200 0.037 0.000 2.479 36 E HA 0.069 4.408 4.350 -0.018 0.000 0.193 36 E C 0.434 177.036 176.600 0.003 0.000 1.049 36 E CA 0.348 56.760 56.400 0.020 0.000 0.870 36 E CB 0.165 29.856 29.700 -0.015 0.000 0.944 36 E HN 0.342 nan 8.360 nan 0.000 0.492 37 K N 1.415 121.836 120.400 0.035 0.000 2.118 37 K HA 0.378 4.688 4.320 -0.018 0.000 0.267 37 K C 0.384 177.019 176.600 0.060 0.000 0.991 37 K CA -0.522 55.778 56.287 0.021 0.000 0.916 37 K CB 1.590 34.108 32.500 0.030 0.000 1.041 37 K HN -0.171 nan 8.250 nan 0.000 0.455 38 R N 1.643 122.166 120.500 0.037 0.000 2.673 38 R HA 0.434 4.763 4.340 -0.018 0.000 0.281 38 R C -0.316 176.005 176.300 0.036 0.000 0.991 38 R CA -0.950 55.148 56.100 -0.004 0.000 0.896 38 R CB 1.289 31.602 30.300 0.021 0.000 1.201 38 R HN 0.461 nan 8.270 nan 0.000 0.457 39 I N 2.660 123.215 120.570 -0.026 0.000 2.308 39 I HA 0.131 4.291 4.170 -0.018 0.000 0.293 39 I C 1.384 177.518 176.117 0.027 0.000 1.078 39 I CA 0.039 61.348 61.300 0.014 0.000 1.292 39 I CB 0.511 38.490 38.000 -0.035 0.000 1.423 39 I HN 0.717 nan 8.210 nan 0.000 0.493 40 A N 6.661 129.558 122.820 0.128 0.000 2.072 40 A HA -0.012 4.297 4.320 -0.018 0.000 0.216 40 A C 0.469 178.180 177.584 0.211 0.000 1.156 40 A CA 0.756 52.885 52.037 0.153 0.000 0.701 40 A CB 0.123 19.251 19.000 0.212 0.000 0.816 40 A HN 0.657 nan 8.150 nan 0.000 0.458 41 Y N -2.047 118.273 120.300 0.034 0.000 2.474 41 Y HA 0.549 5.089 4.550 -0.018 0.000 0.326 41 Y C -1.850 173.945 175.900 -0.176 0.000 1.160 41 Y CA -1.143 56.878 58.100 -0.131 0.000 1.056 41 Y CB 1.097 39.344 38.460 -0.355 0.000 1.330 41 Y HN 0.142 nan 8.280 nan 0.000 0.447 42 L N 5.535 126.063 121.223 -1.159 0.000 2.505 42 L HA 0.977 5.306 4.340 -0.018 0.000 0.266 42 L C -1.207 175.125 176.870 -0.897 0.000 0.954 42 L CA -0.241 54.119 54.840 -0.799 0.000 0.852 42 L CB 2.007 43.894 42.059 -0.287 0.000 1.282 42 L HN 0.944 nan 8.230 nan 0.000 0.403 43 G N 2.850 111.296 108.800 -0.589 0.000 2.718 43 G HA2 0.488 4.437 3.960 -0.018 0.000 0.295 43 G HA3 0.488 4.437 3.960 -0.018 0.000 0.295 43 G C -1.944 172.795 174.900 -0.269 0.000 1.421 43 G CA -0.557 44.361 45.100 -0.304 0.000 0.902 43 G HN 0.486 nan 8.290 nan 0.000 0.501 44 V N 1.540 121.139 119.914 -0.525 0.000 2.732 44 V HA 0.581 4.690 4.120 -0.018 0.000 0.297 44 V C 0.205 176.043 176.094 -0.427 0.000 1.060 44 V CA -0.525 61.200 62.300 -0.959 0.000 1.038 44 V CB 0.878 32.046 31.823 -1.091 0.000 1.003 44 V HN 0.566 nan 8.190 nan 0.000 0.481 45 L N 4.821 125.826 121.223 -0.364 0.000 2.379 45 L HA 0.488 4.817 4.340 -0.018 0.000 0.269 45 L C -0.053 176.691 176.870 -0.210 0.000 1.084 45 L CA -0.834 53.893 54.840 -0.190 0.000 0.802 45 L CB 1.103 43.090 42.059 -0.121 0.000 1.175 45 L HN 0.582 nan 8.230 nan 0.000 0.448 46 D N 1.621 121.943 120.400 -0.131 0.000 2.339 46 D HA 0.241 4.871 4.640 -0.018 0.000 0.245 46 D C -2.048 174.138 176.300 -0.189 0.000 1.115 46 D CA -0.927 52.976 54.000 -0.161 0.000 0.917 46 D CB 0.517 41.330 40.800 0.022 0.000 1.192 46 D HN 0.241 nan 8.370 nan 0.000 0.428 47 P HA 0.150 nan 4.420 nan 0.000 0.267 47 P C -0.707 176.535 177.300 -0.098 0.000 1.200 47 P CA -0.150 62.805 63.100 -0.242 0.000 0.772 47 P CB 0.481 31.959 31.700 -0.369 0.000 0.855 48 A N 3.138 125.917 122.820 -0.068 0.000 2.406 48 A HA 0.173 4.483 4.320 -0.018 0.000 0.243 48 A C 0.406 177.969 177.584 -0.035 0.000 1.082 48 A CA -0.255 51.765 52.037 -0.030 0.000 0.786 48 A CB 0.056 19.042 19.000 -0.024 0.000 1.029 48 A HN 0.373 nan 8.150 nan 0.000 0.495 49 R N 0.648 121.115 120.500 -0.055 0.000 2.435 49 R HA 0.320 4.649 4.340 -0.018 0.000 0.325 49 R C 0.233 176.501 176.300 -0.054 0.000 1.149 49 R CA 0.727 56.755 56.100 -0.120 0.000 0.995 49 R CB -0.726 29.447 30.300 -0.213 0.000 1.008 49 R HN 1.037 nan 8.270 nan 0.000 0.470 50 G N 1.046 109.836 108.800 -0.017 0.000 2.902 50 G HA2 0.264 4.213 3.960 -0.018 0.000 0.293 50 G HA3 0.264 4.213 3.960 -0.018 0.000 0.293 50 G C -0.417 174.498 174.900 0.025 0.000 3.296 50 G CA -0.358 44.743 45.100 0.002 0.000 0.614 50 G HN 0.584 nan 8.290 nan 0.000 0.354 51 A N 0.855 123.705 122.820 0.051 0.000 2.547 51 A HA 0.469 4.779 4.320 -0.018 0.000 0.269 51 A C 1.949 179.558 177.584 0.043 0.000 1.041 51 A CA 1.956 54.033 52.037 0.066 0.000 0.855 51 A CB -0.383 18.658 19.000 0.068 0.000 0.934 51 A HN 2.728 nan 8.150 nan 0.000 0.521 52 G N 2.098 110.925 108.800 0.044 0.000 3.078 52 G HA2 -0.208 3.742 3.960 -0.018 0.000 0.227 52 G HA3 -0.208 3.742 3.960 -0.018 0.000 0.227 52 G C 1.060 175.963 174.900 0.004 0.000 1.306 52 G CA 0.766 45.880 45.100 0.024 0.000 0.841 52 G HN 2.348 nan 8.290 nan 0.000 0.530 53 S N -0.740 114.962 115.700 0.005 0.000 3.443 53 S HA -0.195 4.264 4.470 -0.018 0.000 0.635 53 S C 0.063 174.660 174.600 -0.006 0.000 2.555 53 S CA 1.510 59.708 58.200 -0.004 0.000 2.778 53 S CB -0.592 62.599 63.200 -0.015 0.000 0.331 53 S HN 1.916 nan 8.310 nan 0.000 1.765 54 E N 2.406 122.600 120.200 -0.009 0.000 1.979 54 E HA 0.544 4.884 4.350 -0.018 0.000 0.285 54 E C 0.316 176.908 176.600 -0.012 0.000 1.188 54 E CA 1.125 57.520 56.400 -0.008 0.000 1.214 54 E CB -0.657 29.040 29.700 -0.007 0.000 1.210 54 E HN 1.546 nan 8.360 nan 0.000 0.477 55 A N 2.458 125.271 122.820 -0.013 0.000 6.643 55 A HA -0.269 4.041 4.320 -0.018 0.000 0.230 55 A C 0.178 177.746 177.584 -0.027 0.000 2.273 55 A CA 0.520 52.547 52.037 -0.016 0.000 0.690 55 A CB -0.893 18.100 19.000 -0.012 0.000 0.908 55 A HN 0.631 nan 8.150 nan 0.000 0.366 56 E N 0.209 120.391 120.200 -0.029 0.000 2.324 56 E HA 0.360 4.700 4.350 -0.018 0.000 0.271 56 E C -0.804 175.774 176.600 -0.035 0.000 1.028 56 E CA 0.415 56.789 56.400 -0.042 0.000 0.890 56 E CB 0.416 30.094 29.700 -0.036 0.000 1.004 56 E HN 0.539 nan 8.360 nan 0.000 0.431 57 D N 4.428 124.799 120.400 -0.050 0.000 2.364 57 D HA 0.131 4.760 4.640 -0.018 0.000 0.251 57 D C -1.131 175.143 176.300 -0.044 0.000 1.282 57 D CA -0.575 53.405 54.000 -0.033 0.000 0.927 57 D CB 0.327 41.109 40.800 -0.029 0.000 1.267 57 D HN 0.271 nan 8.370 nan 0.000 0.531 58 R N 3.005 123.497 120.500 -0.014 0.000 2.288 58 R HA 0.342 4.672 4.340 -0.018 0.000 0.330 58 R C 0.236 176.583 176.300 0.079 0.000 1.069 58 R CA -0.155 55.944 56.100 -0.003 0.000 0.941 58 R CB 0.571 30.918 30.300 0.077 0.000 0.998 58 R HN 0.327 nan 8.270 nan 0.000 0.452 59 R N 2.454 122.946 120.500 -0.012 0.000 2.532 59 R HA 0.457 4.786 4.340 -0.018 0.000 0.295 59 R C -0.646 175.647 176.300 -0.010 0.000 0.968 59 R CA -0.564 55.570 56.100 0.057 0.000 0.916 59 R CB 1.289 31.590 30.300 0.001 0.000 1.124 59 R HN 0.246 nan 8.270 nan 0.000 0.463 60 F N 0.860 120.791 119.950 -0.032 0.000 2.520 60 F HA 0.460 4.976 4.527 -0.017 0.000 0.322 60 F C 0.390 176.181 175.800 -0.015 0.000 1.103 60 F CA -0.794 57.182 58.000 -0.040 0.000 0.926 60 F CB 1.850 40.815 39.000 -0.059 0.000 1.154 60 F HN 0.198 nan 8.300 nan 0.000 0.453 61 R N 2.016 122.598 120.500 0.137 0.000 2.460 61 R HA 0.868 5.197 4.340 -0.018 0.000 0.303 61 R C -1.828 174.530 176.300 0.097 0.000 0.968 61 R CA -0.532 55.654 56.100 0.143 0.000 0.889 61 R CB 1.500 31.892 30.300 0.155 0.000 1.123 61 R HN 0.556 nan 8.270 nan 0.000 0.455 62 V N 4.405 124.408 119.914 0.148 0.000 2.841 62 V HA 0.506 4.615 4.120 -0.018 0.000 0.310 62 V C -1.219 175.109 176.094 0.391 0.000 1.090 62 V CA -0.821 61.553 62.300 0.124 0.000 0.930 62 V CB 2.027 33.908 31.823 0.096 0.000 1.014 62 V HN 0.569 nan 8.190 nan 0.000 0.425 63 F N 3.890 123.999 119.950 0.264 0.000 2.426 63 F HA 0.640 5.156 4.527 -0.018 0.000 0.348 63 F C 0.053 175.946 175.800 0.155 0.000 1.124 63 F CA -1.713 56.434 58.000 0.245 0.000 1.008 63 F CB 1.413 40.604 39.000 0.317 0.000 1.139 63 F HN 0.206 nan 8.300 nan 0.000 0.452 64 I N 3.942 124.686 120.570 0.289 0.000 2.355 64 I HA 0.221 4.380 4.170 -0.018 0.000 0.288 64 I C -0.252 175.953 176.117 0.146 0.000 0.999 64 I CA -0.721 60.684 61.300 0.174 0.000 1.163 64 I CB 1.410 39.474 38.000 0.108 0.000 1.316 64 I HN 0.528 nan 8.210 nan 0.000 0.454 65 H N 5.899 124.997 119.070 0.047 0.000 2.488 65 H HA 0.352 4.898 4.556 -0.018 0.000 0.347 65 H C -1.149 174.181 175.328 0.005 0.000 1.174 65 H CA -0.315 55.739 56.048 0.011 0.000 1.307 65 H CB 1.437 31.203 29.762 0.006 0.000 1.517 65 H HN 0.517 nan 8.280 nan 0.000 0.554 66 D N 3.882 123.790 120.400 -0.821 0.000 2.549 66 D HA 0.084 4.713 4.640 -0.018 0.000 0.251 66 D C 1.032 176.900 176.300 -0.720 0.000 1.153 66 D CA -0.473 53.201 54.000 -0.543 0.000 0.861 66 D CB 1.533 42.176 40.800 -0.262 0.000 1.207 66 D HN 0.501 nan 8.370 nan 0.000 0.543 67 V N 2.135 121.811 119.914 -0.397 0.000 3.078 67 V HA -0.082 4.028 4.120 -0.018 0.000 0.265 67 V C 1.572 177.625 176.094 -0.068 0.000 1.122 67 V CA 1.742 63.961 62.300 -0.134 0.000 1.141 67 V CB -0.723 31.109 31.823 0.015 0.000 0.735 67 V HN 0.491 nan 8.190 nan 0.000 0.498 68 S N -0.501 115.143 115.700 -0.094 0.000 2.556 68 S HA 0.473 4.932 4.470 -0.018 0.000 0.216 68 S C 1.649 176.219 174.600 -0.050 0.000 0.970 68 S CA 0.667 58.838 58.200 -0.049 0.000 0.912 68 S CB 0.344 63.520 63.200 -0.040 0.000 0.790 68 S HN 1.721 nan 8.310 nan 0.000 0.504 69 G N 0.592 109.345 108.800 -0.077 0.000 2.176 69 G HA2 -0.066 3.884 3.960 -0.018 0.000 0.232 69 G HA3 -0.066 3.884 3.960 -0.018 0.000 0.232 69 G C 0.345 175.210 174.900 -0.059 0.000 0.986 69 G CA -0.120 44.950 45.100 -0.050 0.000 0.643 69 G HN 1.194 nan 8.290 nan 0.000 0.522 70 A N 0.340 123.112 122.820 -0.079 0.000 2.386 70 A HA 0.652 4.961 4.320 -0.018 0.000 0.246 70 A C 0.951 178.490 177.584 -0.076 0.000 1.089 70 A CA 0.093 52.089 52.037 -0.068 0.000 0.790 70 A CB 0.235 19.195 19.000 -0.067 0.000 1.042 70 A HN 0.523 nan 8.150 nan 0.000 0.497 71 R N 0.992 121.453 120.500 -0.064 0.000 2.590 71 R HA 0.238 4.567 4.340 -0.018 0.000 0.274 71 R C -2.246 174.008 176.300 -0.076 0.000 1.061 71 R CA -1.043 55.014 56.100 -0.072 0.000 1.081 71 R CB -0.019 30.238 30.300 -0.071 0.000 0.984 71 R HN 0.597 nan 8.270 nan 0.000 0.448 72 P HA 0.111 nan 4.420 nan 0.000 0.279 72 P C -0.983 176.274 177.300 -0.071 0.000 1.282 72 P CA -0.393 62.669 63.100 -0.063 0.000 0.788 72 P CB 0.939 32.609 31.700 -0.049 0.000 1.139 73 Q N -0.953 118.836 119.800 -0.019 0.000 2.421 73 Q HA 0.372 4.701 4.340 -0.018 0.000 0.280 73 Q C -0.879 175.175 176.000 0.091 0.000 1.085 73 Q CA -0.699 55.109 55.803 0.007 0.000 0.807 73 Q CB 2.638 31.394 28.738 0.031 0.000 1.405 73 Q HN 0.450 nan 8.270 nan 0.000 0.419 74 E N 1.682 121.951 120.200 0.114 0.000 2.133 74 E HA 0.490 4.829 4.350 -0.018 0.000 0.274 74 E C -1.490 175.243 176.600 0.222 0.000 0.930 74 E CA -0.524 56.043 56.400 0.278 0.000 0.770 74 E CB 1.319 31.191 29.700 0.287 0.000 1.104 74 E HN 0.306 nan 8.360 nan 0.000 0.403 75 V N 3.363 123.428 119.914 0.251 0.000 2.789 75 V HA 0.406 4.516 4.120 -0.018 0.000 0.311 75 V C -0.353 175.838 176.094 0.161 0.000 1.073 75 V CA -0.784 61.615 62.300 0.165 0.000 0.921 75 V CB 2.277 34.175 31.823 0.125 0.000 1.009 75 V HN 0.724 nan 8.190 nan 0.000 0.426 76 T N 3.687 118.313 114.554 0.120 0.000 2.812 76 T HA 0.666 5.006 4.350 -0.018 0.000 0.282 76 T C -0.494 174.259 174.700 0.088 0.000 0.990 76 T CA -0.422 61.743 62.100 0.109 0.000 0.960 76 T CB 1.547 70.468 68.868 0.088 0.000 0.948 76 T HN 0.820 nan 8.240 nan 0.000 0.438 77 V N 0.795 120.770 119.914 0.102 0.000 2.864 77 V HA 0.903 5.012 4.120 -0.018 0.000 0.314 77 V C -0.148 176.004 176.094 0.098 0.000 1.073 77 V CA -0.915 61.432 62.300 0.078 0.000 0.956 77 V CB 2.140 33.991 31.823 0.047 0.000 1.023 77 V HN 0.761 nan 8.190 nan 0.000 0.435 78 S N 2.378 118.117 115.700 0.065 0.000 2.461 78 S HA 0.342 4.801 4.470 -0.018 0.000 0.322 78 S C 0.565 175.197 174.600 0.054 0.000 1.063 78 S CA 0.082 58.322 58.200 0.067 0.000 1.120 78 S CB 1.023 64.244 63.200 0.036 0.000 0.968 78 S HN 1.187 nan 8.310 nan 0.000 0.467 79 V N 5.407 125.374 119.914 0.088 0.000 2.626 79 V HA -0.085 4.024 4.120 -0.018 0.000 0.252 79 V C 2.079 178.185 176.094 0.019 0.000 1.067 79 V CA 2.690 65.002 62.300 0.020 0.000 1.081 79 V CB -0.780 31.033 31.823 -0.017 0.000 0.686 79 V HN 0.998 nan 8.190 nan 0.000 0.468 80 T N 0.811 115.388 114.554 0.038 0.000 2.737 80 T HA -0.121 4.218 4.350 -0.018 0.000 0.265 80 T C 1.574 176.279 174.700 0.008 0.000 1.038 80 T CA 1.727 63.838 62.100 0.019 0.000 1.144 80 T CB -0.332 68.546 68.868 0.015 0.000 0.866 80 T HN 0.493 nan 8.240 nan 0.000 0.434 81 N N 0.530 119.236 118.700 0.010 0.000 2.412 81 N HA 0.149 4.878 4.740 -0.018 0.000 0.184 81 N C 1.325 176.836 175.510 0.001 0.000 1.101 81 N CA 0.648 53.701 53.050 0.005 0.000 0.881 81 N CB 0.190 38.680 38.487 0.006 0.000 0.969 81 N HN 0.557 nan 8.380 nan 0.000 0.459 82 G N 1.471 110.270 108.800 -0.001 0.000 2.246 82 G HA2 -0.269 3.680 3.960 -0.018 0.000 0.273 82 G HA3 -0.269 3.680 3.960 -0.018 0.000 0.273 82 G C 0.148 175.046 174.900 -0.003 0.000 1.055 82 G CA 0.988 46.083 45.100 -0.008 0.000 0.851 82 G HN 0.506 nan 8.290 nan 0.000 0.500 83 T N -3.723 110.834 114.554 0.005 0.000 2.916 83 T HA 0.720 5.059 4.350 -0.018 0.000 0.292 83 T C -0.384 174.325 174.700 0.016 0.000 1.064 83 T CA -0.696 61.410 62.100 0.009 0.000 1.011 83 T CB 2.874 71.749 68.868 0.010 0.000 1.152 83 T HN 0.736 nan 8.240 nan 0.000 0.510 84 V N 3.065 122.989 119.914 0.018 0.000 2.350 84 V HA 0.233 4.342 4.120 -0.018 0.000 0.276 84 V C 0.960 177.070 176.094 0.028 0.000 1.028 84 V CA -0.748 61.568 62.300 0.027 0.000 0.860 84 V CB 0.745 32.583 31.823 0.025 0.000 0.990 84 V HN 0.819 nan 8.190 nan 0.000 0.453 85 I N 3.252 123.843 120.570 0.035 0.000 2.286 85 I HA 0.003 4.162 4.170 -0.018 0.000 0.245 85 I C 1.062 177.199 176.117 0.032 0.000 1.104 85 I CA 1.256 62.574 61.300 0.031 0.000 1.397 85 I CB -0.398 37.622 38.000 0.034 0.000 1.072 85 I HN 0.790 nan 8.210 nan 0.000 0.417 86 S N -0.581 115.144 115.700 0.043 0.000 2.552 86 S HA 0.806 5.265 4.470 -0.018 0.000 0.272 86 S C -0.958 173.675 174.600 0.056 0.000 1.150 86 S CA -0.520 57.706 58.200 0.043 0.000 0.849 86 S CB 2.462 65.689 63.200 0.044 0.000 1.113 86 S HN 0.325 nan 8.310 nan 0.000 0.458 87 A N 1.015 123.864 122.820 0.048 0.000 2.466 87 A HA 0.745 5.054 4.320 -0.018 0.000 0.284 87 A C -0.671 176.936 177.584 0.038 0.000 1.049 87 A CA -0.381 51.688 52.037 0.053 0.000 0.760 87 A CB 1.007 20.033 19.000 0.042 0.000 1.274 87 A HN 2.168 nan 8.150 nan 0.000 0.412 88 V N -0.057 119.882 119.914 0.042 0.000 2.656 88 V HA 0.734 4.844 4.120 -0.018 0.000 0.307 88 V C -0.277 175.814 176.094 -0.005 0.000 1.051 88 V CA -0.742 61.568 62.300 0.017 0.000 0.893 88 V CB 1.586 33.421 31.823 0.020 0.000 0.999 88 V HN 0.942 nan 8.190 nan 0.000 0.426 89 E N 3.168 123.353 120.200 -0.025 0.000 2.338 89 E HA 0.525 4.864 4.350 -0.018 0.000 0.272 89 E C -1.124 175.422 176.600 -0.089 0.000 1.029 89 E CA -0.546 55.823 56.400 -0.051 0.000 0.872 89 E CB 1.161 30.835 29.700 -0.043 0.000 1.015 89 E HN 0.757 nan 8.360 nan 0.000 0.417 90 L N 3.487 124.623 121.223 -0.144 0.000 2.322 90 L HA 0.287 4.617 4.340 -0.018 0.000 0.279 90 L C 0.062 176.814 176.870 -0.197 0.000 1.036 90 L CA -0.695 54.010 54.840 -0.225 0.000 0.807 90 L CB 1.329 43.134 42.059 -0.424 0.000 1.226 90 L HN 0.504 nan 8.230 nan 0.000 0.433 91 D N 1.255 121.545 120.400 -0.183 0.000 2.485 91 D HA 0.052 4.681 4.640 -0.018 0.000 0.221 91 D C 1.263 177.454 176.300 -0.181 0.000 1.112 91 D CA -0.201 53.715 54.000 -0.141 0.000 0.911 91 D CB 1.255 41.998 40.800 -0.096 0.000 1.019 91 D HN 0.713 nan 8.370 nan 0.000 0.516 92 T N 0.641 115.075 114.554 -0.200 0.000 2.849 92 T HA -0.165 4.175 4.350 -0.018 0.000 0.270 92 T C 1.850 176.470 174.700 -0.132 0.000 1.066 92 T CA 1.075 63.042 62.100 -0.222 0.000 1.130 92 T CB -0.065 68.685 68.868 -0.196 0.000 0.864 92 T HN 0.253 nan 8.240 nan 0.000 0.481 93 A N 1.334 124.104 122.820 -0.083 0.000 2.019 93 A HA 0.401 4.710 4.320 -0.018 0.000 0.219 93 A C 2.679 180.255 177.584 -0.014 0.000 1.164 93 A CA 1.686 53.700 52.037 -0.039 0.000 0.644 93 A CB -1.094 17.887 19.000 -0.033 0.000 0.805 93 A HN 0.775 nan 8.150 nan 0.000 0.449 94 A N -0.796 122.002 122.820 -0.036 0.000 1.881 94 A HA 0.093 4.402 4.320 -0.018 0.000 0.210 94 A C 2.273 179.870 177.584 0.022 0.000 1.239 94 A CA 1.881 53.918 52.037 -0.001 0.000 0.629 94 A CB -0.905 18.079 19.000 -0.026 0.000 0.906 94 A HN 0.675 nan 8.150 nan 0.000 0.460 95 T N -3.467 111.002 114.554 -0.140 0.000 3.081 95 T HA 0.463 4.803 4.350 -0.018 0.000 0.250 95 T C 0.868 175.151 174.700 -0.695 0.000 1.100 95 T CA 0.889 62.794 62.100 -0.325 0.000 1.038 95 T CB -0.120 68.617 68.868 -0.217 0.000 0.962 95 T HN 1.912 nan 8.240 nan 0.000 0.516 96 G N 0.844 109.378 108.800 -0.444 0.000 2.576 96 G HA2 0.086 4.036 3.960 -0.018 0.000 0.686 96 G HA3 0.086 4.036 3.960 -0.018 0.000 0.686 96 G C -1.130 173.604 174.900 -0.278 0.000 1.242 96 G CA -1.061 43.857 45.100 -0.302 0.000 0.819 96 G HN 0.228 nan 8.290 nan 0.000 0.655 97 E N 0.133 120.248 120.200 -0.143 0.000 2.345 97 E HA 0.489 4.828 4.350 -0.018 0.000 0.259 97 E C 1.167 177.697 176.600 -0.118 0.000 1.117 97 E CA -0.490 55.821 56.400 -0.149 0.000 0.913 97 E CB 0.878 30.531 29.700 -0.078 0.000 1.057 97 E HN 0.502 nan 8.360 nan 0.000 0.432 98 L N 1.662 122.820 121.223 -0.109 0.000 2.466 98 L HA 0.206 4.536 4.340 -0.018 0.000 0.257 98 L C -1.920 174.980 176.870 0.050 0.000 1.189 98 L CA -1.753 53.095 54.840 0.013 0.000 0.813 98 L CB -0.245 41.839 42.059 0.041 0.000 1.118 98 L HN 0.135 nan 8.230 nan 0.000 0.471 99 P HA -0.033 nan 4.420 nan 0.000 0.267 99 P C -0.580 176.750 177.300 0.048 0.000 1.201 99 P CA -0.218 62.949 63.100 0.112 0.000 0.775 99 P CB 0.387 32.195 31.700 0.180 0.000 0.854 100 V N 3.566 123.517 119.914 0.061 0.000 2.673 100 V HA -0.054 4.055 4.120 -0.018 0.000 0.303 100 V C 0.816 176.831 176.094 -0.130 0.000 1.046 100 V CA 0.353 62.612 62.300 -0.069 0.000 1.126 100 V CB -0.339 31.468 31.823 -0.026 0.000 0.934 100 V HN 0.325 nan 8.190 nan 0.000 0.487 101 L N 3.547 124.620 121.223 -0.250 0.000 2.326 101 L HA 0.260 4.590 4.340 -0.018 0.000 0.278 101 L C 1.605 178.315 176.870 -0.267 0.000 1.092 101 L CA -0.000 54.727 54.840 -0.188 0.000 0.810 101 L CB 0.940 42.889 42.059 -0.183 0.000 1.153 101 L HN 0.785 nan 8.230 nan 0.000 0.439 102 E N 2.080 122.261 120.200 -0.031 0.000 2.130 102 E HA -0.268 4.072 4.350 -0.018 0.000 0.196 102 E C 1.584 178.250 176.600 0.110 0.000 0.998 102 E CA 1.831 58.336 56.400 0.176 0.000 0.806 102 E CB 0.212 30.115 29.700 0.338 0.000 0.738 102 E HN 0.785 nan 8.360 nan 0.000 0.459 103 E N 0.153 120.366 120.200 0.022 0.000 2.204 103 E HA -0.215 4.125 4.350 -0.018 0.000 0.194 103 E C 1.536 178.143 176.600 0.012 0.000 0.989 103 E CA 1.141 57.566 56.400 0.041 0.000 0.824 103 E CB -0.153 29.563 29.700 0.026 0.000 0.756 103 E HN 0.400 nan 8.360 nan 0.000 0.477 104 E N -0.089 120.050 120.200 -0.101 0.000 2.358 104 E HA -0.063 4.277 4.350 -0.018 0.000 0.195 104 E C 1.394 177.976 176.600 -0.030 0.000 1.010 104 E CA 0.392 56.729 56.400 -0.106 0.000 0.856 104 E CB -0.113 29.469 29.700 -0.198 0.000 0.795 104 E HN 0.243 nan 8.360 nan 0.000 0.504 105 F N 2.137 122.115 119.950 0.047 0.000 2.102 105 F HA -0.187 4.329 4.527 -0.018 0.000 0.298 105 F C 2.406 178.221 175.800 0.025 0.000 1.105 105 F CA 1.566 59.587 58.000 0.034 0.000 1.239 105 F CB -0.618 38.389 39.000 0.012 0.000 0.991 105 F HN 0.108 nan 8.300 nan 0.000 0.474 106 E N -0.232 120.099 120.200 0.219 0.000 2.274 106 E HA -0.108 4.231 4.350 -0.018 0.000 0.194 106 E C 2.087 178.734 176.600 0.077 0.000 0.996 106 E CA 1.274 57.749 56.400 0.126 0.000 0.840 106 E CB -0.794 28.968 29.700 0.105 0.000 0.772 106 E HN 0.241 nan 8.360 nan 0.000 0.491 107 V N 1.715 121.670 119.914 0.067 0.000 2.392 107 V HA -0.278 3.832 4.120 -0.018 0.000 0.249 107 V C 2.484 178.578 176.094 0.000 0.000 1.059 107 V CA 1.596 63.913 62.300 0.029 0.000 1.051 107 V CB -0.343 31.492 31.823 0.021 0.000 0.658 107 V HN 0.215 nan 8.190 nan 0.000 0.455 108 V N -0.120 119.801 119.914 0.012 0.000 2.255 108 V HA -0.346 3.764 4.120 -0.018 0.000 0.247 108 V C 2.430 178.454 176.094 -0.118 0.000 1.051 108 V CA 2.559 64.832 62.300 -0.046 0.000 1.018 108 V CB -0.639 31.188 31.823 0.006 0.000 0.641 108 V HN 0.665 nan 8.190 nan 0.000 0.445 109 E N -0.369 119.795 120.200 -0.059 0.000 2.077 109 E HA -0.270 4.070 4.350 -0.018 0.000 0.193 109 E C 2.302 178.863 176.600 -0.065 0.000 0.989 109 E CA 1.446 57.806 56.400 -0.067 0.000 0.800 109 E CB -0.082 29.626 29.700 0.013 0.000 0.746 109 E HN 0.698 nan 8.360 nan 0.000 0.452 110 Q N 0.257 120.040 119.800 -0.029 0.000 2.030 110 Q HA -0.194 4.135 4.340 -0.018 0.000 0.204 110 Q C 2.433 178.409 176.000 -0.041 0.000 0.986 110 Q CA 1.770 57.563 55.803 -0.015 0.000 0.843 110 Q CB -0.145 28.595 28.738 0.004 0.000 0.904 110 Q HN 0.360 nan 8.270 nan 0.000 0.420 111 L N 0.112 121.293 121.223 -0.070 0.000 2.027 111 L HA -0.181 4.149 4.340 -0.018 0.000 0.206 111 L C 2.328 179.116 176.870 -0.136 0.000 1.074 111 L CA 0.861 55.650 54.840 -0.084 0.000 0.745 111 L CB -0.428 41.579 42.059 -0.087 0.000 0.898 111 L HN 0.261 nan 8.230 nan 0.000 0.433 112 L N -0.151 120.908 121.223 -0.274 0.000 2.131 112 L HA -0.187 4.142 4.340 -0.018 0.000 0.210 112 L C 2.836 179.589 176.870 -0.196 0.000 1.092 112 L CA 0.929 55.471 54.840 -0.496 0.000 0.759 112 L CB -0.737 40.568 42.059 -1.257 0.000 0.903 112 L HN 0.249 nan 8.230 nan 0.000 0.435 113 A N -0.145 122.643 122.820 -0.054 0.000 2.024 113 A HA -0.195 4.115 4.320 -0.018 0.000 0.220 113 A C 2.104 179.750 177.584 0.103 0.000 1.164 113 A CA 2.152 54.251 52.037 0.103 0.000 0.643 113 A CB -0.709 18.332 19.000 0.068 0.000 0.806 113 A HN 0.519 nan 8.150 nan 0.000 0.451 114 T N -3.284 111.301 114.554 0.052 0.000 3.174 114 T HA 0.301 4.641 4.350 -0.018 0.000 0.269 114 T C -0.194 174.537 174.700 0.052 0.000 1.017 114 T CA 0.173 62.304 62.100 0.050 0.000 0.899 114 T CB -0.313 68.571 68.868 0.027 0.000 1.077 114 T HN 0.310 nan 8.240 nan 0.000 0.552 115 D N 1.773 122.216 120.400 0.072 0.000 2.225 115 D HA 0.174 4.804 4.640 -0.018 0.000 0.248 115 D C 1.452 177.824 176.300 0.120 0.000 1.096 115 D CA -0.549 53.495 54.000 0.073 0.000 0.863 115 D CB 1.276 42.106 40.800 0.050 0.000 1.156 115 D HN 0.434 nan 8.370 nan 0.000 0.450 116 E N 3.430 123.676 120.200 0.076 0.000 2.150 116 E HA -0.210 4.129 4.350 -0.018 0.000 0.193 116 E C 1.391 178.036 176.600 0.074 0.000 0.985 116 E CA 0.613 57.053 56.400 0.066 0.000 0.814 116 E CB 0.088 29.810 29.700 0.037 0.000 0.752 116 E HN 0.427 nan 8.360 nan 0.000 0.466 117 R N 0.070 120.621 120.500 0.086 0.000 2.075 117 R HA -0.059 4.270 4.340 -0.018 0.000 0.232 117 R C 2.158 178.539 176.300 0.135 0.000 1.126 117 R CA 1.635 57.784 56.100 0.081 0.000 0.963 117 R CB -0.455 29.885 30.300 0.066 0.000 0.858 117 R HN 0.424 nan 8.270 nan 0.000 0.435 118 W N 1.488 122.768 121.300 -0.034 0.000 2.379 118 W HA -0.140 4.509 4.660 -0.018 0.000 0.307 118 W C 1.464 177.970 176.519 -0.022 0.000 1.200 118 W CA 1.212 58.539 57.345 -0.030 0.000 1.297 118 W CB -0.122 29.323 29.460 -0.024 0.000 1.140 118 W HN 0.071 nan 8.180 nan 0.000 0.507 119 L N 0.840 122.149 121.223 0.143 0.000 2.083 119 L HA -0.254 4.075 4.340 -0.018 0.000 0.209 119 L C 2.601 179.441 176.870 -0.051 0.000 1.083 119 L CA 1.719 56.573 54.840 0.023 0.000 0.752 119 L CB -0.897 41.203 42.059 0.069 0.000 0.899 119 L HN -0.081 nan 8.230 nan 0.000 0.433 120 K N 0.349 120.732 120.400 -0.029 0.000 2.097 120 K HA -0.157 4.152 4.320 -0.018 0.000 0.205 120 K C 2.156 178.698 176.600 -0.096 0.000 1.050 120 K CA 1.190 57.449 56.287 -0.047 0.000 0.938 120 K CB -0.051 32.435 32.500 -0.023 0.000 0.718 120 K HN 0.258 nan 8.250 nan 0.000 0.442 121 A N 1.272 124.006 122.820 -0.143 0.000 1.902 121 A HA -0.100 4.209 4.320 -0.018 0.000 0.217 121 A C 2.072 179.495 177.584 -0.268 0.000 1.181 121 A CA 1.181 53.092 52.037 -0.210 0.000 0.623 121 A CB -0.528 18.301 19.000 -0.284 0.000 0.818 121 A HN 0.307 nan 8.150 nan 0.000 0.443 122 L N -0.972 120.044 121.223 -0.344 0.000 2.109 122 L HA -0.133 4.196 4.340 -0.018 0.000 0.207 122 L C 3.057 179.826 176.870 -0.169 0.000 1.086 122 L CA 0.933 55.590 54.840 -0.304 0.000 0.760 122 L CB -0.576 41.282 42.059 -0.335 0.000 0.910 122 L HN 0.436 nan 8.230 nan 0.000 0.437 123 A N 0.247 122.991 122.820 -0.127 0.000 1.972 123 A HA -0.115 4.194 4.320 -0.018 0.000 0.219 123 A C 2.480 180.018 177.584 -0.076 0.000 1.169 123 A CA 1.511 53.500 52.037 -0.081 0.000 0.635 123 A CB -0.550 18.416 19.000 -0.058 0.000 0.810 123 A HN 0.383 nan 8.150 nan 0.000 0.446 124 A N -0.666 122.102 122.820 -0.088 0.000 2.121 124 A HA -0.063 4.246 4.320 -0.018 0.000 0.218 124 A C 2.057 179.597 177.584 -0.074 0.000 1.154 124 A CA 1.319 53.312 52.037 -0.074 0.000 0.679 124 A CB -0.279 18.675 19.000 -0.076 0.000 0.795 124 A HN 0.527 nan 8.150 nan 0.000 0.458 125 R N -0.941 119.505 120.500 -0.090 0.000 2.397 125 R HA 0.110 4.439 4.340 -0.018 0.000 0.241 125 R C -0.313 175.946 176.300 -0.069 0.000 0.914 125 R CA 0.090 56.142 56.100 -0.080 0.000 1.071 125 R CB 0.293 30.532 30.300 -0.102 0.000 1.116 125 R HN 0.442 nan 8.270 nan 0.000 0.524 126 N N 0.925 119.585 118.700 -0.067 0.000 2.735 126 N HA -0.183 4.546 4.740 -0.018 0.000 0.248 126 N C -1.041 174.435 175.510 -0.057 0.000 1.083 126 N CA 0.981 53.999 53.050 -0.053 0.000 0.703 126 N CB -1.437 37.026 38.487 -0.040 0.000 1.005 126 N HN 0.264 nan 8.380 nan 0.000 0.550 127 L N 0.148 121.326 121.223 -0.075 0.000 2.307 127 L HA 0.357 4.686 4.340 -0.018 0.000 0.284 127 L C 0.615 177.449 176.870 -0.060 0.000 1.023 127 L CA -0.907 53.888 54.840 -0.075 0.000 0.810 127 L CB 1.469 43.466 42.059 -0.104 0.000 1.231 127 L HN -0.097 nan 8.230 nan 0.000 0.423 128 D N 2.017 122.393 120.400 -0.039 0.000 2.343 128 D HA 0.009 4.639 4.640 -0.018 0.000 0.255 128 D C 0.795 177.092 176.300 -0.006 0.000 1.187 128 D CA 0.036 54.024 54.000 -0.019 0.000 0.875 128 D CB 1.860 42.654 40.800 -0.010 0.000 1.136 128 D HN 0.284 nan 8.370 nan 0.000 0.469 129 V N 3.930 123.851 119.914 0.011 0.000 2.453 129 V HA -0.261 3.849 4.120 -0.018 0.000 0.252 129 V C 2.056 178.189 176.094 0.066 0.000 1.068 129 V CA 2.862 65.195 62.300 0.056 0.000 1.070 129 V CB -0.531 31.347 31.823 0.091 0.000 0.664 129 V HN 0.745 nan 8.190 nan 0.000 0.461 130 S N -1.181 114.544 115.700 0.042 0.000 2.474 130 S HA -0.069 4.391 4.470 -0.018 0.000 0.235 130 S C 1.656 176.273 174.600 0.029 0.000 0.997 130 S CA 0.679 58.902 58.200 0.038 0.000 0.949 130 S CB -0.244 62.973 63.200 0.028 0.000 0.766 130 S HN 0.561 nan 8.310 nan 0.000 0.517 131 K N 1.107 121.519 120.400 0.019 0.000 2.358 131 K HA 0.374 4.683 4.320 -0.018 0.000 0.197 131 K C -0.377 176.226 176.600 0.006 0.000 1.025 131 K CA -0.000 56.288 56.287 0.002 0.000 1.104 131 K CB 0.711 33.202 32.500 -0.014 0.000 0.855 131 K HN 0.304 nan 8.250 nan 0.000 0.531 132 V N 3.907 123.845 119.914 0.040 0.000 2.348 132 V HA 0.227 4.337 4.120 -0.018 0.000 0.270 132 V C 0.392 176.551 176.094 0.109 0.000 1.037 132 V CA -0.780 61.563 62.300 0.072 0.000 0.872 132 V CB 0.923 32.805 31.823 0.099 0.000 1.002 132 V HN 0.039 nan 8.190 nan 0.000 0.464 133 R N 3.303 123.847 120.500 0.074 0.000 2.459 133 R HA 0.606 4.935 4.340 -0.018 0.000 0.281 133 R C -0.771 175.619 176.300 0.150 0.000 1.050 133 R CA -0.463 55.671 56.100 0.056 0.000 1.055 133 R CB 1.778 32.040 30.300 -0.064 0.000 1.045 133 R HN 0.442 nan 8.270 nan 0.000 0.495 134 V N 1.758 121.755 119.914 0.138 0.000 2.483 134 V HA 0.364 4.474 4.120 -0.018 0.000 0.297 134 V C -0.007 176.200 176.094 0.188 0.000 1.027 134 V CA -1.162 61.260 62.300 0.205 0.000 0.855 134 V CB 1.680 33.575 31.823 0.119 0.000 0.995 134 V HN 0.854 nan 8.190 nan 0.000 0.424 135 A N 7.786 130.795 122.820 0.315 0.000 2.396 135 A HA 0.626 4.936 4.320 -0.018 0.000 0.279 135 A C -2.241 175.527 177.584 0.308 0.000 1.165 135 A CA -1.241 50.983 52.037 0.313 0.000 0.824 135 A CB 0.056 19.392 19.000 0.560 0.000 1.100 135 A HN 0.579 nan 8.150 nan 0.000 0.516 136 P HA 0.378 nan 4.420 nan 0.000 0.283 136 P C -0.875 176.640 177.300 0.359 0.000 1.412 136 P CA 0.162 63.431 63.100 0.282 0.000 0.912 136 P CB 0.501 32.408 31.700 0.346 0.000 1.132 137 L N 2.114 123.586 121.223 0.414 0.000 2.322 137 L HA 0.478 4.807 4.340 -0.018 0.000 0.269 137 L C 1.084 178.281 176.870 0.545 0.000 1.012 137 L CA -1.038 54.130 54.840 0.546 0.000 0.815 137 L CB 1.529 44.006 42.059 0.697 0.000 1.295 137 L HN 0.270 nan 8.230 nan 0.000 0.438 138 S N 0.339 116.422 115.700 0.639 0.000 2.568 138 S HA 0.212 4.672 4.470 -0.018 0.000 0.282 138 S C 0.811 175.647 174.600 0.394 0.000 1.338 138 S CA -0.053 58.403 58.200 0.427 0.000 1.045 138 S CB 1.375 64.747 63.200 0.287 0.000 0.873 138 S HN 0.739 nan 8.310 nan 0.000 0.516 139 A N 3.199 126.151 122.820 0.221 0.000 1.984 139 A HA 0.558 4.868 4.320 -0.018 0.000 0.214 139 A C 1.569 179.333 177.584 0.300 0.000 1.173 139 A CA 0.704 52.818 52.037 0.128 0.000 0.673 139 A CB -1.526 17.460 19.000 -0.023 0.000 0.830 139 A HN 2.347 nan 8.150 nan 0.000 0.453 140 G N -1.813 107.139 108.800 0.254 0.000 2.645 140 G HA2 -0.043 3.906 3.960 -0.018 0.000 0.239 140 G HA3 -0.043 3.906 3.960 -0.018 0.000 0.239 140 G C -0.419 174.470 174.900 -0.019 0.000 1.331 140 G CA -0.233 44.984 45.100 0.195 0.000 0.890 140 G HN 1.158 nan 8.290 nan 0.000 0.572 141 V N 0.829 120.488 119.914 -0.425 0.000 2.482 141 V HA 0.747 4.856 4.120 -0.018 0.000 0.295 141 V C -0.190 175.313 176.094 -0.984 0.000 1.026 141 V CA -0.358 61.667 62.300 -0.457 0.000 0.856 141 V CB 1.093 32.715 31.823 -0.336 0.000 1.001 141 V HN 0.731 nan 8.190 nan 0.000 0.424 142 F N 1.671 121.595 119.950 -0.043 0.000 3.345 142 F HA 0.436 4.953 4.527 -0.018 0.000 0.253 142 F C 1.572 177.228 175.800 -0.240 0.000 1.576 142 F CA -0.538 57.381 58.000 -0.135 0.000 0.970 142 F CB 0.344 39.256 39.000 -0.147 0.000 1.808 142 F HN 0.448 nan 8.300 nan 0.000 0.354 143 E N 0.539 120.575 120.200 -0.274 0.000 2.463 143 E HA -0.017 4.323 4.350 -0.018 0.000 0.193 143 E C -0.950 175.483 176.600 -0.277 0.000 1.041 143 E CA 0.254 56.477 56.400 -0.295 0.000 0.879 143 E CB -0.544 29.004 29.700 -0.254 0.000 0.997 143 E HN 0.511 nan 8.360 nan 0.000 0.478 144 Y N 1.371 121.727 120.300 0.093 0.000 2.636 144 Y HA 0.413 4.952 4.550 -0.018 0.000 0.341 144 Y C 1.618 177.541 175.900 0.038 0.000 1.169 144 Y CA -0.212 57.931 58.100 0.071 0.000 1.498 144 Y CB 0.438 38.942 38.460 0.073 0.000 1.362 144 Y HN 0.085 nan 8.280 nan 0.000 0.494 145 A N 2.296 125.195 122.820 0.132 0.000 1.986 145 A HA -0.231 4.078 4.320 -0.018 0.000 0.220 145 A C 2.194 179.823 177.584 0.075 0.000 1.171 145 A CA 1.849 53.931 52.037 0.075 0.000 0.640 145 A CB -0.287 18.743 19.000 0.050 0.000 0.811 145 A HN 0.728 nan 8.150 nan 0.000 0.451 146 E N 0.636 120.896 120.200 0.100 0.000 2.409 146 E HA -0.185 4.155 4.350 -0.018 0.000 0.198 146 E C 1.142 177.777 176.600 0.060 0.000 1.024 146 E CA 1.311 57.753 56.400 0.070 0.000 0.861 146 E CB -0.426 29.315 29.700 0.069 0.000 0.788 146 E HN 0.777 nan 8.360 nan 0.000 0.521 147 E N 0.759 121.007 120.200 0.081 0.000 2.371 147 E HA 0.036 4.375 4.350 -0.018 0.000 0.194 147 E C 0.206 176.823 176.600 0.027 0.000 1.012 147 E CA -0.142 56.289 56.400 0.052 0.000 0.860 147 E CB 0.072 29.815 29.700 0.072 0.000 0.811 147 E HN 0.191 nan 8.360 nan 0.000 0.502 148 R N 0.536 121.050 120.500 0.025 0.000 2.446 148 R HA 0.126 4.455 4.340 -0.018 0.000 0.325 148 R C 0.808 177.105 176.300 -0.004 0.000 0.997 148 R CA 0.703 56.806 56.100 0.005 0.000 1.010 148 R CB 0.177 30.478 30.300 0.001 0.000 0.946 148 R HN 0.274 nan 8.270 nan 0.000 0.422 149 G N 2.634 111.425 108.800 -0.015 0.000 2.194 149 G HA2 -0.279 3.670 3.960 -0.018 0.000 0.236 149 G HA3 -0.279 3.670 3.960 -0.018 0.000 0.236 149 G C 0.129 175.018 174.900 -0.018 0.000 0.987 149 G CA -0.398 44.688 45.100 -0.024 0.000 0.635 149 G HN 0.519 nan 8.290 nan 0.000 0.520 150 R N -0.059 120.435 120.500 -0.009 0.000 2.604 150 R HA 0.655 4.984 4.340 -0.018 0.000 0.287 150 R C 0.055 176.349 176.300 -0.009 0.000 0.970 150 R CA -0.888 55.210 56.100 -0.004 0.000 0.946 150 R CB 1.083 31.385 30.300 0.003 0.000 1.127 150 R HN 0.120 nan 8.270 nan 0.000 0.473 151 R N 2.394 122.890 120.500 -0.007 0.000 2.205 151 R HA 0.299 4.628 4.340 -0.018 0.000 0.342 151 R C -0.330 175.959 176.300 -0.018 0.000 1.058 151 R CA -0.190 55.897 56.100 -0.022 0.000 0.904 151 R CB 0.416 30.693 30.300 -0.039 0.000 1.089 151 R HN 0.288 nan 8.270 nan 0.000 0.471 152 I N 4.615 125.175 120.570 -0.017 0.000 2.493 152 I HA 0.421 4.581 4.170 -0.018 0.000 0.298 152 I C 0.044 176.155 176.117 -0.010 0.000 0.998 152 I CA -0.781 60.505 61.300 -0.023 0.000 1.137 152 I CB 1.720 39.689 38.000 -0.051 0.000 1.310 152 I HN 0.476 nan 8.210 nan 0.000 0.445 153 L N 5.254 126.476 121.223 -0.003 0.000 2.370 153 L HA 0.550 4.879 4.340 -0.018 0.000 0.266 153 L C -0.173 176.693 176.870 -0.007 0.000 1.002 153 L CA -0.817 54.051 54.840 0.047 0.000 0.818 153 L CB 2.589 44.711 42.059 0.104 0.000 1.325 153 L HN 0.522 nan 8.230 nan 0.000 0.418 154 R N 0.656 121.136 120.500 -0.033 0.000 2.668 154 R HA 0.710 5.039 4.340 -0.018 0.000 0.279 154 R C -0.265 176.081 176.300 0.076 0.000 0.976 154 R CA -0.758 55.265 56.100 -0.129 0.000 0.978 154 R CB 1.980 31.833 30.300 -0.745 0.000 1.133 154 R HN 0.747 nan 8.270 nan 0.000 0.484 155 G N 2.049 110.910 108.800 0.102 0.000 2.590 155 G HA2 0.584 4.534 3.960 -0.018 0.000 0.310 155 G HA3 0.584 4.534 3.960 -0.018 0.000 0.310 155 G C -1.010 174.088 174.900 0.330 0.000 1.347 155 G CA -0.592 44.620 45.100 0.186 0.000 0.963 155 G HN 0.275 nan 8.290 nan 0.000 0.494 156 L N 1.562 123.053 121.223 0.447 0.000 2.341 156 L HA 0.706 5.036 4.340 -0.018 0.000 0.278 156 L C 0.509 177.564 176.870 0.308 0.000 1.005 156 L CA -0.998 54.096 54.840 0.424 0.000 0.818 156 L CB 2.167 44.575 42.059 0.581 0.000 1.259 156 L HN 0.640 nan 8.230 nan 0.000 0.418 157 A N 3.104 125.981 122.820 0.094 0.000 2.304 157 A HA 0.847 5.156 4.320 -0.018 0.000 0.301 157 A C -1.157 176.118 177.584 -0.515 0.000 1.132 157 A CA -0.148 51.898 52.037 0.013 0.000 0.819 157 A CB 0.465 19.527 19.000 0.102 0.000 1.094 157 A HN 0.515 nan 8.150 nan 0.000 0.492 158 F N 0.712 120.639 119.950 -0.039 0.000 2.574 158 F HA 0.417 4.933 4.527 -0.018 0.000 0.313 158 F C -0.147 175.598 175.800 -0.091 0.000 1.130 158 F CA -0.695 57.235 58.000 -0.117 0.000 0.936 158 F CB 2.235 41.041 39.000 -0.323 0.000 1.219 158 F HN 0.317 nan 8.300 nan 0.000 0.445 159 V N 2.798 122.776 119.914 0.107 0.000 2.498 159 V HA 0.273 4.383 4.120 -0.018 0.000 0.279 159 V C -0.283 175.839 176.094 0.048 0.000 1.048 159 V CA -0.451 61.869 62.300 0.035 0.000 0.967 159 V CB 1.380 33.176 31.823 -0.045 0.000 0.988 159 V HN 0.753 nan 8.190 nan 0.000 0.473 160 Q N 2.696 122.474 119.800 -0.037 0.000 2.394 160 Q HA 0.239 4.569 4.340 -0.018 0.000 0.259 160 Q C -0.019 175.900 176.000 -0.136 0.000 1.021 160 Q CA -0.648 55.094 55.803 -0.101 0.000 0.805 160 Q CB 1.270 29.927 28.738 -0.135 0.000 1.226 160 Q HN 0.764 nan 8.270 nan 0.000 0.476 161 D N 3.368 123.649 120.400 -0.199 0.000 2.219 161 D HA -0.017 4.613 4.640 -0.018 0.000 0.205 161 D C 0.037 176.396 176.300 0.099 0.000 0.970 161 D CA 1.240 55.196 54.000 -0.073 0.000 0.851 161 D CB 0.115 40.929 40.800 0.024 0.000 0.943 161 D HN 0.433 nan 8.370 nan 0.000 0.488 162 F N -4.808 115.131 119.950 -0.018 0.000 2.713 162 F HA 0.373 4.889 4.527 -0.018 0.000 0.311 162 F C -2.453 173.334 175.800 -0.022 0.000 1.141 162 F CA -2.126 55.860 58.000 -0.023 0.000 0.939 162 F CB 0.546 39.528 39.000 -0.032 0.000 1.325 162 F HN -0.416 nan 8.300 nan 0.000 0.453 163 P HA -0.207 nan 4.420 nan 0.000 0.219 163 P C 0.203 177.505 177.300 0.004 0.000 1.158 163 P CA 2.503 65.640 63.100 0.062 0.000 0.895 163 P CB 0.071 31.830 31.700 0.098 0.000 0.792 164 E N -1.545 118.716 120.200 0.101 0.000 2.419 164 E HA 0.115 4.454 4.350 -0.018 0.000 0.190 164 E C -0.007 176.469 176.600 -0.205 0.000 1.040 164 E CA -0.096 56.319 56.400 0.024 0.000 0.900 164 E CB -0.628 29.163 29.700 0.151 0.000 1.054 164 E HN 0.301 nan 8.360 nan 0.000 0.462 165 D N 0.352 120.359 120.400 -0.654 0.000 2.304 165 D HA 0.091 4.720 4.640 -0.018 0.000 0.247 165 D C -0.582 175.501 176.300 -0.362 0.000 1.089 165 D CA -0.207 53.291 54.000 -0.836 0.000 0.910 165 D CB 1.023 41.038 40.800 -1.308 0.000 1.199 165 D HN -0.079 nan 8.370 nan 0.000 0.426 166 S N 2.097 117.659 115.700 -0.230 0.000 2.400 166 S HA 0.434 4.894 4.470 -0.018 0.000 0.295 166 S C 0.988 175.515 174.600 -0.122 0.000 1.113 166 S CA -0.257 57.880 58.200 -0.104 0.000 1.064 166 S CB 0.369 63.562 63.200 -0.011 0.000 0.990 166 S HN 0.506 nan 8.310 nan 0.000 0.502 167 A N 4.944 127.582 122.820 -0.303 0.000 2.019 167 A HA -0.017 4.293 4.320 -0.018 0.000 0.219 167 A C 1.415 178.850 177.584 -0.248 0.000 1.164 167 A CA 0.854 52.719 52.037 -0.286 0.000 0.644 167 A CB -0.714 18.013 19.000 -0.455 0.000 0.805 167 A HN 0.993 nan 8.150 nan 0.000 0.449 168 W N -0.139 121.117 121.300 -0.073 0.000 2.387 168 W HA -0.001 4.648 4.660 -0.017 0.000 0.272 168 W C 2.366 179.004 176.519 0.199 0.000 1.224 168 W CA 0.752 58.050 57.345 -0.078 0.000 1.210 168 W CB -0.161 29.249 29.460 -0.083 0.000 1.125 168 W HN 0.366 nan 8.180 nan 0.000 0.572 169 A N -0.617 122.376 122.820 0.288 0.000 2.167 169 A HA -0.057 4.253 4.320 -0.018 0.000 0.214 169 A C 0.620 178.066 177.584 -0.229 0.000 1.151 169 A CA 0.787 52.891 52.037 0.111 0.000 0.735 169 A CB -0.593 18.383 19.000 -0.040 0.000 0.802 169 A HN 0.337 nan 8.150 nan 0.000 0.467 170 H N -0.085 119.111 119.070 0.211 0.000 2.355 170 H HA 0.249 4.794 4.556 -0.018 0.000 0.232 170 H C -2.901 172.463 175.328 0.061 0.000 1.422 170 H CA -2.304 53.808 56.048 0.108 0.000 1.261 170 H CB -0.307 29.492 29.762 0.062 0.000 1.595 170 H HN 0.356 nan 8.280 nan 0.000 0.529 171 P HA 0.009 nan 4.420 nan 0.000 0.271 171 P C 0.334 177.468 177.300 -0.277 0.000 1.218 171 P CA -0.274 62.644 63.100 -0.303 0.000 0.780 171 P CB 1.961 33.541 31.700 -0.201 0.000 0.901 172 V N 3.516 123.183 119.914 -0.412 0.000 2.259 172 V HA 0.141 4.250 4.120 -0.018 0.000 0.267 172 V C 0.689 176.639 176.094 -0.241 0.000 1.051 172 V CA -0.291 61.859 62.300 -0.249 0.000 0.830 172 V CB 0.166 31.846 31.823 -0.239 0.000 1.080 172 V HN 0.530 nan 8.190 nan 0.000 0.467 173 D N 3.024 123.286 120.400 -0.230 0.000 2.358 173 D HA 0.390 5.019 4.640 -0.018 0.000 0.244 173 D C 1.284 177.520 176.300 -0.107 0.000 1.163 173 D CA 1.431 55.223 54.000 -0.347 0.000 0.945 173 D CB 1.725 42.006 40.800 -0.865 0.000 1.152 173 D HN 0.751 nan 8.370 nan 0.000 0.451 174 G N 0.475 109.223 108.800 -0.087 0.000 2.148 174 G HA2 -0.212 3.737 3.960 -0.018 0.000 0.254 174 G HA3 -0.212 3.737 3.960 -0.018 0.000 0.254 174 G C -0.151 174.799 174.900 0.084 0.000 0.981 174 G CA 0.559 45.769 45.100 0.183 0.000 0.670 174 G HN 0.483 nan 8.290 nan 0.000 0.528 175 L N -0.163 121.078 121.223 0.030 0.000 2.464 175 L HA 0.917 5.246 4.340 -0.018 0.000 0.266 175 L C -0.759 176.195 176.870 0.140 0.000 0.965 175 L CA -1.045 53.813 54.840 0.030 0.000 0.833 175 L CB 2.396 44.389 42.059 -0.110 0.000 1.296 175 L HN 0.675 nan 8.230 nan 0.000 0.405 176 V N 3.890 123.918 119.914 0.190 0.000 3.048 176 V HA 0.980 5.089 4.120 -0.018 0.000 0.303 176 V C -1.393 174.763 176.094 0.103 0.000 1.214 176 V CA 0.335 62.783 62.300 0.247 0.000 0.984 176 V CB 2.094 34.100 31.823 0.305 0.000 1.054 176 V HN 1.224 nan 8.190 nan 0.000 0.430 177 A N 4.811 127.674 122.820 0.070 0.000 2.454 177 A HA 0.971 5.280 4.320 -0.018 0.000 0.302 177 A C -2.058 175.492 177.584 -0.056 0.000 1.079 177 A CA -0.472 51.480 52.037 -0.143 0.000 0.731 177 A CB 1.758 20.626 19.000 -0.220 0.000 1.299 177 A HN 0.862 nan 8.150 nan 0.000 0.413 178 Y N 0.219 120.390 120.300 -0.214 0.000 2.393 178 Y HA 0.620 5.160 4.550 -0.018 0.000 0.341 178 Y C -0.163 175.628 175.900 -0.182 0.000 0.988 178 Y CA -1.683 56.272 58.100 -0.242 0.000 1.078 178 Y CB 1.769 40.043 38.460 -0.310 0.000 1.203 178 Y HN 0.370 nan 8.280 nan 0.000 0.453 179 V N 2.978 122.898 119.914 0.010 0.000 2.588 179 V HA 0.252 4.361 4.120 -0.018 0.000 0.304 179 V C -0.658 175.425 176.094 -0.017 0.000 1.042 179 V CA -1.066 61.216 62.300 -0.030 0.000 0.877 179 V CB 2.255 34.041 31.823 -0.061 0.000 0.996 179 V HN 0.677 nan 8.190 nan 0.000 0.425 180 D N 3.207 123.598 120.400 -0.016 0.000 2.365 180 D HA 0.153 4.783 4.640 -0.018 0.000 0.237 180 D C 0.974 177.269 176.300 -0.008 0.000 1.190 180 D CA -0.198 53.797 54.000 -0.009 0.000 0.867 180 D CB 1.963 42.761 40.800 -0.004 0.000 1.050 180 D HN 0.453 nan 8.370 nan 0.000 0.491 181 V N 2.282 122.191 119.914 -0.008 0.000 3.380 181 V HA -0.049 4.060 4.120 -0.018 0.000 0.268 181 V C 1.520 177.624 176.094 0.015 0.000 1.168 181 V CA 0.472 62.768 62.300 -0.005 0.000 1.156 181 V CB -0.205 31.604 31.823 -0.024 0.000 0.785 181 V HN 0.379 nan 8.190 nan 0.000 0.487 182 V N 1.436 121.367 119.914 0.029 0.000 2.521 182 V HA -0.039 4.070 4.120 -0.018 0.000 0.239 182 V C 2.766 178.881 176.094 0.034 0.000 1.053 182 V CA 1.775 64.110 62.300 0.058 0.000 1.073 182 V CB -0.073 31.802 31.823 0.086 0.000 0.746 182 V HN 0.700 nan 8.190 nan 0.000 0.476 183 S N -0.945 114.767 115.700 0.020 0.000 2.561 183 S HA -0.054 4.405 4.470 -0.018 0.000 0.225 183 S C 0.738 175.343 174.600 0.007 0.000 0.977 183 S CA 0.048 58.255 58.200 0.011 0.000 0.926 183 S CB -0.249 62.955 63.200 0.007 0.000 0.769 183 S HN 0.480 nan 8.310 nan 0.000 0.533 184 K N 1.132 121.535 120.400 0.005 0.000 3.372 184 K HA -0.128 4.181 4.320 -0.018 0.000 0.272 184 K C -0.959 175.634 176.600 -0.011 0.000 1.037 184 K CA 0.921 57.207 56.287 -0.002 0.000 0.777 184 K CB -2.355 30.147 32.500 0.003 0.000 1.347 184 K HN 0.777 nan 8.250 nan 0.000 0.460 185 E N -0.472 119.719 120.200 -0.016 0.000 2.266 185 E HA 0.432 4.771 4.350 -0.018 0.000 0.268 185 E C -0.447 176.132 176.600 -0.035 0.000 0.879 185 E CA -1.121 55.267 56.400 -0.021 0.000 0.762 185 E CB 2.258 31.951 29.700 -0.013 0.000 1.199 185 E HN -0.028 nan 8.360 nan 0.000 0.422 186 V N 2.878 122.764 119.914 -0.047 0.000 2.353 186 V HA 0.014 4.123 4.120 -0.018 0.000 0.264 186 V C 1.359 177.421 176.094 -0.053 0.000 1.049 186 V CA 0.240 62.499 62.300 -0.068 0.000 0.896 186 V CB 0.529 32.298 31.823 -0.089 0.000 1.025 186 V HN 0.956 nan 8.190 nan 0.000 0.475 187 T N 2.683 117.210 114.554 -0.045 0.000 2.896 187 T HA 0.137 4.477 4.350 -0.018 0.000 0.263 187 T C 0.841 175.492 174.700 -0.082 0.000 1.050 187 T CA 0.537 62.615 62.100 -0.037 0.000 1.140 187 T CB 0.307 69.174 68.868 -0.002 0.000 0.877 187 T HN 0.495 nan 8.240 nan 0.000 0.457 188 R N -0.448 119.955 120.500 -0.161 0.000 2.643 188 R HA 0.649 4.979 4.340 -0.018 0.000 0.269 188 R C -2.185 173.913 176.300 -0.335 0.000 1.037 188 R CA -0.662 55.262 56.100 -0.294 0.000 0.894 188 R CB 2.861 32.833 30.300 -0.548 0.000 1.238 188 R HN 0.080 nan 8.270 nan 0.000 0.459 189 V N 4.231 124.008 119.914 -0.229 0.000 2.524 189 V HA 0.473 4.582 4.120 -0.018 0.000 0.297 189 V C -0.564 175.459 176.094 -0.119 0.000 1.035 189 V CA -0.564 61.673 62.300 -0.104 0.000 0.867 189 V CB 1.954 33.815 31.823 0.063 0.000 1.004 189 V HN 0.570 nan 8.190 nan 0.000 0.426 190 I N 4.171 124.660 120.570 -0.136 0.000 2.362 190 I HA 0.479 4.638 4.170 -0.018 0.000 0.289 190 I C -0.862 175.249 176.117 -0.010 0.000 0.994 190 I CA -0.209 61.040 61.300 -0.086 0.000 1.158 190 I CB 1.792 39.721 38.000 -0.120 0.000 1.315 190 I HN 0.491 nan 8.210 nan 0.000 0.451 191 D N 4.402 124.800 120.400 -0.004 0.000 2.471 191 D HA 0.192 4.822 4.640 -0.018 0.000 0.245 191 D C 0.805 177.117 176.300 0.020 0.000 1.116 191 D CA -0.376 53.626 54.000 0.003 0.000 0.853 191 D CB 1.578 42.363 40.800 -0.025 0.000 1.123 191 D HN 0.617 nan 8.370 nan 0.000 0.540 192 T N 0.443 115.031 114.554 0.056 0.000 3.107 192 T HA 0.484 4.823 4.350 -0.018 0.000 0.249 192 T C 0.920 175.645 174.700 0.042 0.000 1.096 192 T CA 0.252 62.390 62.100 0.065 0.000 1.012 192 T CB 0.189 69.124 68.868 0.112 0.000 0.977 192 T HN 0.592 nan 8.240 nan 0.000 0.527 193 G N 0.261 109.081 108.800 0.033 0.000 2.316 193 G HA2 0.273 4.222 3.960 -0.018 0.000 0.468 193 G HA3 0.273 4.222 3.960 -0.018 0.000 0.468 193 G C -1.135 173.757 174.900 -0.013 0.000 1.523 193 G CA -0.508 44.569 45.100 -0.038 0.000 0.972 193 G HN 0.480 nan 8.290 nan 0.000 0.667 194 V N 0.792 120.662 119.914 -0.075 0.000 2.715 194 V HA 0.772 4.882 4.120 -0.018 0.000 0.299 194 V C -0.388 175.642 176.094 -0.106 0.000 1.054 194 V CA -0.077 62.204 62.300 -0.032 0.000 1.077 194 V CB 0.693 32.482 31.823 -0.056 0.000 0.972 194 V HN 0.702 nan 8.190 nan 0.000 0.484 195 F N 4.915 124.828 119.950 -0.061 0.000 2.576 195 F HA 0.609 5.126 4.527 -0.018 0.000 0.313 195 F C -1.978 173.795 175.800 -0.046 0.000 1.078 195 F CA -1.989 55.980 58.000 -0.051 0.000 0.921 195 F CB 1.871 40.838 39.000 -0.054 0.000 1.232 195 F HN 0.399 nan 8.300 nan 0.000 0.459 196 P HA 0.132 nan 4.420 nan 0.000 0.268 196 P C -0.976 176.379 177.300 0.092 0.000 1.205 196 P CA -0.171 62.982 63.100 0.088 0.000 0.771 196 P CB 0.572 32.316 31.700 0.075 0.000 0.858 197 V N 6.042 125.989 119.914 0.055 0.000 2.385 197 V HA 0.190 4.299 4.120 -0.018 0.000 0.269 197 V C -1.899 174.248 176.094 0.088 0.000 1.043 197 V CA -1.611 60.719 62.300 0.050 0.000 0.906 197 V CB 0.617 32.450 31.823 0.017 0.000 0.995 197 V HN 0.583 nan 8.190 nan 0.000 0.467 198 P HA -0.000 nan 4.420 nan 0.000 0.261 198 P C 0.474 177.919 177.300 0.242 0.000 1.173 198 P CA 0.422 63.594 63.100 0.121 0.000 0.760 198 P CB 0.773 32.506 31.700 0.054 0.000 0.783 199 A N 3.636 126.569 122.820 0.188 0.000 1.984 199 A HA -0.014 4.295 4.320 -0.018 0.000 0.214 199 A C 0.778 178.544 177.584 0.304 0.000 1.173 199 A CA 0.501 52.669 52.037 0.219 0.000 0.673 199 A CB -0.437 18.637 19.000 0.123 0.000 0.830 199 A HN 0.568 nan 8.150 nan 0.000 0.453 200 E N 0.794 121.123 120.200 0.216 0.000 2.413 200 E HA 0.203 4.542 4.350 -0.018 0.000 0.263 200 E C -0.245 176.510 176.600 0.258 0.000 1.015 200 E CA 0.058 56.571 56.400 0.187 0.000 0.916 200 E CB 0.287 30.050 29.700 0.107 0.000 0.947 200 E HN 0.776 nan 8.360 nan 0.000 0.440 201 H N -0.505 118.720 119.070 0.259 0.000 2.546 201 H HA 0.456 5.002 4.556 -0.018 0.000 0.365 201 H C 0.485 175.913 175.328 0.166 0.000 1.220 201 H CA -0.761 55.410 56.048 0.207 0.000 1.386 201 H CB 1.004 30.910 29.762 0.239 0.000 1.510 201 H HN 0.489 nan 8.280 nan 0.000 0.591 202 G N 1.074 110.010 108.800 0.227 0.000 4.637 202 G HA2 0.095 4.044 3.960 -0.018 0.000 0.294 202 G HA3 0.095 4.044 3.960 -0.018 0.000 0.294 202 G C -0.831 174.063 174.900 -0.010 0.000 1.215 202 G CA -0.729 44.384 45.100 0.022 0.000 0.943 202 G HN 0.750 nan 8.290 nan 0.000 0.572 203 N N 1.245 120.105 118.700 0.267 0.000 2.555 203 N HA 0.204 4.934 4.740 -0.018 0.000 0.244 203 N C 0.681 176.143 175.510 -0.080 0.000 1.114 203 N CA -0.698 52.317 53.050 -0.058 0.000 0.963 203 N CB 0.380 38.850 38.487 -0.028 0.000 1.276 203 N HN 0.532 nan 8.380 nan 0.000 0.510 204 Y N -0.461 119.837 120.300 -0.003 0.000 2.680 204 Y HA 0.054 4.593 4.550 -0.017 0.000 0.303 204 Y C 1.341 177.239 175.900 -0.004 0.000 1.166 204 Y CA 0.015 58.094 58.100 -0.035 0.000 1.344 204 Y CB -0.227 38.170 38.460 -0.104 0.000 1.002 204 Y HN 0.239 nan 8.280 nan 0.000 0.537 205 T N -0.943 113.579 114.554 -0.052 0.000 2.985 205 T HA 0.002 4.341 4.350 -0.018 0.000 0.254 205 T C -0.078 174.626 174.700 0.006 0.000 1.021 205 T CA -0.049 62.051 62.100 0.002 0.000 0.957 205 T CB -0.175 68.663 68.868 -0.049 0.000 1.047 205 T HN 0.256 nan 8.240 nan 0.000 0.511 206 D N 2.785 123.193 120.400 0.014 0.000 2.339 206 D HA 0.110 4.740 4.640 -0.018 0.000 0.256 206 D C -1.300 175.038 176.300 0.064 0.000 1.214 206 D CA -2.275 51.743 54.000 0.030 0.000 0.877 206 D CB 1.622 42.441 40.800 0.030 0.000 1.111 206 D HN 0.071 nan 8.370 nan 0.000 0.478 207 P HA -0.182 nan 4.420 nan 0.000 0.220 207 P C 0.976 178.310 177.300 0.056 0.000 1.144 207 P CA 0.802 63.926 63.100 0.040 0.000 0.800 207 P CB 0.524 32.238 31.700 0.022 0.000 0.772 208 E N -0.604 119.641 120.200 0.075 0.000 2.153 208 E HA -0.136 4.204 4.350 -0.018 0.000 0.194 208 E C 1.815 178.482 176.600 0.113 0.000 0.988 208 E CA 0.710 57.168 56.400 0.098 0.000 0.811 208 E CB -0.661 29.121 29.700 0.136 0.000 0.746 208 E HN 0.118 nan 8.360 nan 0.000 0.466 209 L N -0.648 120.658 121.223 0.139 0.000 2.316 209 L HA 0.065 4.394 4.340 -0.018 0.000 0.207 209 L C 2.186 179.097 176.870 0.068 0.000 1.070 209 L CA 1.726 56.627 54.840 0.101 0.000 0.820 209 L CB -0.608 41.530 42.059 0.132 0.000 0.992 209 L HN 0.254 nan 8.230 nan 0.000 0.466 210 T N -2.593 112.003 114.554 0.071 0.000 2.942 210 T HA 0.380 4.719 4.350 -0.018 0.000 0.265 210 T C 1.169 175.893 174.700 0.040 0.000 1.062 210 T CA 0.487 62.618 62.100 0.053 0.000 1.139 210 T CB -0.792 68.109 68.868 0.054 0.000 0.883 210 T HN 0.726 nan 8.240 nan 0.000 0.468 211 G N 2.295 111.119 108.800 0.041 0.000 2.796 211 G HA2 -0.019 3.930 3.960 -0.018 0.000 0.571 211 G HA3 -0.019 3.930 3.960 -0.018 0.000 0.571 211 G C -2.838 172.078 174.900 0.026 0.000 1.370 211 G CA -0.618 44.501 45.100 0.032 0.000 0.856 211 G HN 0.542 nan 8.290 nan 0.000 0.538 212 P HA 0.349 nan 4.420 nan 0.000 0.268 212 P C 0.601 177.911 177.300 0.016 0.000 1.204 212 P CA -0.106 63.004 63.100 0.017 0.000 0.768 212 P CB 0.502 32.210 31.700 0.014 0.000 0.842 213 L N 3.138 124.370 121.223 0.015 0.000 2.467 213 L HA 0.187 4.516 4.340 -0.018 0.000 0.270 213 L C 1.439 178.315 176.870 0.010 0.000 1.205 213 L CA -0.373 54.475 54.840 0.014 0.000 0.828 213 L CB -0.074 41.993 42.059 0.014 0.000 1.101 213 L HN 0.336 nan 8.230 nan 0.000 0.479 214 R N 0.224 120.729 120.500 0.008 0.000 2.537 214 R HA 0.064 4.393 4.340 -0.018 0.000 0.280 214 R C 0.817 177.120 176.300 0.005 0.000 1.058 214 R CA 0.349 56.452 56.100 0.005 0.000 1.057 214 R CB 0.336 30.638 30.300 0.003 0.000 0.973 214 R HN 0.722 nan 8.270 nan 0.000 0.438 215 T N -3.503 111.053 114.554 0.004 0.000 3.085 215 T HA -0.013 4.327 4.350 -0.018 0.000 0.264 215 T C 1.303 176.004 174.700 0.002 0.000 1.019 215 T CA 0.135 62.237 62.100 0.003 0.000 0.910 215 T CB 0.305 69.175 68.868 0.004 0.000 1.059 215 T HN 0.666 nan 8.240 nan 0.000 0.542 216 T N -0.528 114.027 114.554 0.001 0.000 3.067 216 T HA 0.132 4.471 4.350 -0.018 0.000 0.257 216 T C 0.758 175.458 174.700 -0.001 0.000 1.105 216 T CA -0.057 62.042 62.100 -0.000 0.000 1.104 216 T CB -0.364 68.504 68.868 -0.001 0.000 0.925 216 T HN 0.409 nan 8.240 nan 0.000 0.498 217 Q N 2.114 121.913 119.800 -0.001 0.000 2.323 217 Q HA 0.271 4.600 4.340 -0.018 0.000 0.257 217 Q C -0.380 175.620 176.000 -0.001 0.000 1.022 217 Q CA -0.341 55.461 55.803 -0.002 0.000 0.919 217 Q CB 0.734 29.470 28.738 -0.002 0.000 1.220 217 Q HN 0.188 nan 8.270 nan 0.000 0.427 218 K N 3.386 123.785 120.400 -0.001 0.000 2.154 218 K HA 0.375 4.684 4.320 -0.018 0.000 0.264 218 K C -1.953 174.647 176.600 0.000 0.000 1.008 218 K CA -1.766 54.520 56.287 -0.000 0.000 0.937 218 K CB 0.159 32.659 32.500 -0.001 0.000 1.002 218 K HN 0.489 nan 8.250 nan 0.000 0.469 219 P HA 0.247 nan 4.420 nan 0.000 0.271 219 P C -0.472 176.830 177.300 0.003 0.000 1.218 219 P CA -0.078 63.024 63.100 0.003 0.000 0.780 219 P CB 0.586 32.289 31.700 0.005 0.000 0.901 220 I N 1.196 121.769 120.570 0.005 0.000 2.420 220 I HA 0.129 4.288 4.170 -0.018 0.000 0.282 220 I C 0.430 176.553 176.117 0.011 0.000 1.019 220 I CA -0.513 60.791 61.300 0.007 0.000 1.130 220 I CB 1.553 39.557 38.000 0.006 0.000 1.262 220 I HN 0.282 nan 8.210 nan 0.000 0.454 221 S N 7.713 123.420 115.700 0.012 0.000 2.438 221 S HA 0.619 5.079 4.470 -0.018 0.000 0.293 221 S C -0.515 174.098 174.600 0.021 0.000 1.141 221 S CA -0.411 57.798 58.200 0.015 0.000 1.080 221 S CB 0.331 63.539 63.200 0.013 0.000 0.978 221 S HN 0.452 nan 8.310 nan 0.000 0.479 222 I N 5.288 125.873 120.570 0.025 0.000 2.382 222 I HA 0.370 4.530 4.170 -0.018 0.000 0.286 222 I C 0.123 176.261 176.117 0.036 0.000 1.002 222 I CA -0.409 60.913 61.300 0.035 0.000 1.135 222 I CB 1.870 39.897 38.000 0.045 0.000 1.288 222 I HN 0.699 nan 8.210 nan 0.000 0.448 223 T N 1.872 116.449 114.554 0.038 0.000 2.865 223 T HA 0.529 4.869 4.350 -0.018 0.000 0.294 223 T C -0.767 173.959 174.700 0.043 0.000 1.119 223 T CA -0.920 61.202 62.100 0.036 0.000 1.007 223 T CB 2.304 71.188 68.868 0.027 0.000 1.225 223 T HN 0.482 nan 8.240 nan 0.000 0.515 224 Q N 0.767 120.589 119.800 0.037 0.000 2.616 224 Q HA 0.268 4.597 4.340 -0.018 0.000 0.250 224 Q C -2.250 173.762 176.000 0.021 0.000 0.991 224 Q CA -1.858 53.967 55.803 0.037 0.000 0.707 224 Q CB 1.925 30.689 28.738 0.044 0.000 1.247 224 Q HN 0.491 nan 8.270 nan 0.000 0.491 225 P HA -0.194 nan 4.420 nan 0.000 0.218 225 P C 0.066 177.371 177.300 0.008 0.000 1.146 225 P CA 1.399 64.507 63.100 0.014 0.000 0.813 225 P CB 0.360 32.069 31.700 0.014 0.000 0.778 226 E N -1.285 118.919 120.200 0.007 0.000 2.624 226 E HA 0.385 4.725 4.350 -0.018 0.000 0.210 226 E C 0.693 177.284 176.600 -0.014 0.000 0.997 226 E CA -0.085 56.315 56.400 -0.001 0.000 0.999 226 E CB 0.343 30.045 29.700 0.002 0.000 1.040 226 E HN 0.104 nan 8.360 nan 0.000 0.469 227 G N 2.919 111.708 108.800 -0.018 0.000 2.796 227 G HA2 -0.187 3.762 3.960 -0.018 0.000 0.571 227 G HA3 -0.187 3.762 3.960 -0.018 0.000 0.571 227 G C -2.743 172.117 174.900 -0.068 0.000 1.370 227 G CA -0.912 44.158 45.100 -0.050 0.000 0.856 227 G HN 0.009 nan 8.290 nan 0.000 0.538 228 P HA 0.369 nan 4.420 nan 0.000 0.274 228 P C 0.602 177.803 177.300 -0.164 0.000 1.246 228 P CA 0.082 63.054 63.100 -0.214 0.000 0.795 228 P CB 1.254 32.549 31.700 -0.676 0.000 1.006 229 S N -0.329 115.408 115.700 0.061 0.000 2.528 229 S HA 0.114 4.574 4.470 -0.018 0.000 0.219 229 S C 0.730 175.502 174.600 0.286 0.000 0.985 229 S CA 0.123 58.427 58.200 0.174 0.000 0.914 229 S CB -0.740 62.623 63.200 0.272 0.000 0.776 229 S HN 0.558 nan 8.310 nan 0.000 0.526 230 F N 2.118 122.270 119.950 0.337 0.000 2.403 230 F HA 0.738 5.255 4.527 -0.018 0.000 0.326 230 F C 0.176 176.067 175.800 0.151 0.000 1.081 230 F CA -1.085 57.094 58.000 0.299 0.000 1.041 230 F CB 0.357 39.496 39.000 0.232 0.000 1.234 230 F HN -0.147 nan 8.300 nan 0.000 0.503 231 T N -0.222 114.515 114.554 0.305 0.000 2.856 231 T HA 0.718 5.057 4.350 -0.018 0.000 0.283 231 T C -1.045 173.811 174.700 0.260 0.000 1.008 231 T CA -0.824 61.381 62.100 0.176 0.000 0.997 231 T CB 1.466 70.412 68.868 0.131 0.000 0.992 231 T HN 0.658 nan 8.240 nan 0.000 0.454 232 V N 2.579 122.618 119.914 0.209 0.000 2.417 232 V HA 0.654 4.764 4.120 -0.018 0.000 0.291 232 V C 0.241 176.431 176.094 0.160 0.000 1.024 232 V CA -0.465 61.954 62.300 0.199 0.000 0.861 232 V CB 1.496 33.438 31.823 0.199 0.000 0.985 232 V HN 1.151 nan 8.190 nan 0.000 0.436 233 T N 2.785 117.451 114.554 0.188 0.000 2.893 233 T HA 0.615 4.955 4.350 -0.018 0.000 0.293 233 T C 0.631 175.426 174.700 0.158 0.000 1.027 233 T CA 0.460 62.659 62.100 0.164 0.000 0.988 233 T CB 1.501 70.482 68.868 0.189 0.000 1.043 233 T HN 1.379 nan 8.240 nan 0.000 0.461 234 G N 1.491 110.353 108.800 0.103 0.000 2.249 234 G HA2 -0.033 3.917 3.960 -0.018 0.000 0.273 234 G HA3 -0.033 3.917 3.960 -0.018 0.000 0.273 234 G C 1.245 176.203 174.900 0.096 0.000 1.036 234 G CA 0.962 46.114 45.100 0.087 0.000 0.824 234 G HN 1.856 nan 8.290 nan 0.000 0.504 235 G N -0.097 108.759 108.800 0.093 0.000 2.507 235 G HA2 -0.304 3.646 3.960 -0.018 0.000 0.240 235 G HA3 -0.304 3.646 3.960 -0.018 0.000 0.240 235 G C 0.944 175.901 174.900 0.095 0.000 1.119 235 G CA 1.366 46.517 45.100 0.086 0.000 0.664 235 G HN 2.255 nan 8.290 nan 0.000 0.516 236 N N -0.518 118.250 118.700 0.113 0.000 2.217 236 N HA 0.101 4.830 4.740 -0.018 0.000 0.239 236 N C -0.303 175.274 175.510 0.112 0.000 1.330 236 N CA 0.150 53.259 53.050 0.099 0.000 0.838 236 N CB -0.371 38.170 38.487 0.091 0.000 1.287 236 N HN 0.593 nan 8.380 nan 0.000 0.498 237 H N 1.040 120.149 119.070 0.065 0.000 2.552 237 H HA 0.414 4.959 4.556 -0.018 0.000 0.311 237 H C -0.945 174.430 175.328 0.079 0.000 1.071 237 H CA -0.343 55.740 56.048 0.059 0.000 1.307 237 H CB 1.022 30.819 29.762 0.059 0.000 1.416 237 H HN -0.038 nan 8.280 nan 0.000 0.464 238 I N 4.887 125.208 120.570 -0.415 0.000 2.412 238 I HA 0.141 4.300 4.170 -0.018 0.000 0.296 238 I C -0.001 175.994 176.117 -0.204 0.000 0.987 238 I CA -0.298 60.893 61.300 -0.182 0.000 1.180 238 I CB 1.594 39.504 38.000 -0.149 0.000 1.340 238 I HN 0.524 nan 8.210 nan 0.000 0.455 239 E N 5.272 125.522 120.200 0.084 0.000 2.216 239 E HA 0.291 4.631 4.350 -0.018 0.000 0.260 239 E C -1.795 175.001 176.600 0.327 0.000 0.880 239 E CA -0.542 55.957 56.400 0.166 0.000 0.765 239 E CB 2.324 32.131 29.700 0.179 0.000 1.174 239 E HN 0.583 nan 8.360 nan 0.000 0.417 240 W N 3.726 125.095 121.300 0.114 0.000 3.326 240 W HA 0.144 4.794 4.660 -0.017 0.000 0.333 240 W C -0.457 176.159 176.519 0.162 0.000 1.108 240 W CA -0.417 57.022 57.345 0.157 0.000 1.245 240 W CB 0.955 30.509 29.460 0.156 0.000 1.331 240 W HN 0.315 nan 8.180 nan 0.000 0.464 241 E N 6.186 126.037 120.200 -0.581 0.000 2.149 241 E HA -0.306 4.034 4.350 -0.018 0.000 0.191 241 E C 0.504 176.790 176.600 -0.524 0.000 1.384 241 E CA 1.761 57.733 56.400 -0.713 0.000 0.698 241 E CB -0.812 28.044 29.700 -1.406 0.000 1.086 241 E HN 0.748 nan 8.360 nan 0.000 0.338 242 K N -4.562 115.567 120.400 -0.452 0.000 3.615 242 K HA -0.238 4.071 4.320 -0.018 0.000 0.269 242 K C 0.299 176.470 176.600 -0.716 0.000 1.107 242 K CA 1.819 57.670 56.287 -0.727 0.000 1.059 242 K CB -1.817 29.849 32.500 -1.390 0.000 1.317 242 K HN 0.329 nan 8.250 nan 0.000 0.494 243 W N 1.735 122.834 121.300 -0.335 0.000 2.237 243 W HA 0.463 5.113 4.660 -0.017 0.000 0.335 243 W C 0.892 177.393 176.519 -0.030 0.000 1.230 243 W CA -0.025 57.268 57.345 -0.087 0.000 1.253 243 W CB 1.141 30.696 29.460 0.158 0.000 1.129 243 W HN 0.036 nan 8.180 nan 0.000 0.590 244 S N 3.624 119.487 115.700 0.271 0.000 2.548 244 S HA 0.825 5.284 4.470 -0.018 0.000 0.276 244 S C -1.151 173.475 174.600 0.043 0.000 1.129 244 S CA -0.739 57.524 58.200 0.104 0.000 0.931 244 S CB 0.174 63.463 63.200 0.150 0.000 1.068 244 S HN 0.572 nan 8.310 nan 0.000 0.480 245 L N 1.041 122.158 121.223 -0.175 0.000 3.020 245 L HA 0.746 5.075 4.340 -0.018 0.000 0.273 245 L C -2.106 174.628 176.870 -0.227 0.000 1.018 245 L CA -1.048 53.700 54.840 -0.152 0.000 0.950 245 L CB 1.632 43.608 42.059 -0.140 0.000 1.510 245 L HN 0.404 nan 8.230 nan 0.000 0.404 246 D N 1.349 121.690 120.400 -0.099 0.000 2.375 246 D HA 0.485 5.114 4.640 -0.018 0.000 0.247 246 D C -0.868 175.442 176.300 0.016 0.000 1.061 246 D CA -0.279 53.723 54.000 0.003 0.000 0.834 246 D CB 3.267 44.111 40.800 0.075 0.000 1.247 246 D HN 0.366 nan 8.370 nan 0.000 0.489 247 V N 2.257 122.178 119.914 0.011 0.000 2.334 247 V HA 0.455 4.565 4.120 -0.018 0.000 0.267 247 V C 0.944 177.095 176.094 0.095 0.000 1.040 247 V CA -0.407 61.890 62.300 -0.005 0.000 0.866 247 V CB 1.076 32.870 31.823 -0.047 0.000 1.019 247 V HN 0.590 nan 8.190 nan 0.000 0.468 248 G N 3.143 112.036 108.800 0.154 0.000 2.511 248 G HA2 0.684 4.633 3.960 -0.018 0.000 0.316 248 G HA3 0.684 4.633 3.960 -0.018 0.000 0.316 248 G C -1.472 173.521 174.900 0.155 0.000 1.210 248 G CA -0.447 44.779 45.100 0.211 0.000 0.969 248 G HN 0.488 nan 8.290 nan 0.000 0.492 249 F N 0.054 119.986 119.950 -0.031 0.000 2.588 249 F HA 0.491 5.007 4.527 -0.018 0.000 0.318 249 F C -1.384 174.364 175.800 -0.088 0.000 1.155 249 F CA -0.945 56.988 58.000 -0.113 0.000 0.967 249 F CB 2.475 41.392 39.000 -0.138 0.000 1.236 249 F HN 0.524 nan 8.300 nan 0.000 0.455 250 D N 3.895 123.877 120.400 -0.697 0.000 2.481 250 D HA 0.314 4.944 4.640 -0.018 0.000 0.244 250 D C 0.246 176.158 176.300 -0.646 0.000 1.057 250 D CA -0.573 53.172 54.000 -0.426 0.000 0.848 250 D CB 2.429 43.113 40.800 -0.194 0.000 1.388 250 D HN 0.376 nan 8.370 nan 0.000 0.475 251 V N 4.207 123.948 119.914 -0.288 0.000 2.490 251 V HA -0.136 3.973 4.120 -0.018 0.000 0.250 251 V C 2.094 178.116 176.094 -0.120 0.000 1.061 251 V CA 2.141 64.329 62.300 -0.188 0.000 1.064 251 V CB -0.384 31.384 31.823 -0.092 0.000 0.670 251 V HN 0.632 nan 8.190 nan 0.000 0.461 252 R N -0.443 120.048 120.500 -0.015 0.000 2.052 252 R HA -0.049 4.280 4.340 -0.018 0.000 0.224 252 R C 2.222 178.456 176.300 -0.110 0.000 1.149 252 R CA 1.678 57.756 56.100 -0.037 0.000 0.962 252 R CB -0.216 30.016 30.300 -0.114 0.000 0.856 252 R HN 0.576 nan 8.270 nan 0.000 0.433 253 E N -0.511 119.600 120.200 -0.148 0.000 2.299 253 E HA 0.114 4.454 4.350 -0.018 0.000 0.193 253 E C 0.768 177.175 176.600 -0.322 0.000 0.998 253 E CA 0.381 56.687 56.400 -0.156 0.000 0.851 253 E CB 0.449 30.103 29.700 -0.077 0.000 0.795 253 E HN 0.572 nan 8.360 nan 0.000 0.492 254 G N 0.815 109.215 108.800 -0.666 0.000 2.498 254 G HA2 -0.304 3.645 3.960 -0.018 0.000 0.245 254 G HA3 -0.304 3.645 3.960 -0.018 0.000 0.245 254 G C -0.076 174.240 174.900 -0.973 0.000 1.204 254 G CA -0.321 44.069 45.100 -1.183 0.000 0.933 254 G HN 0.110 nan 8.290 nan 0.000 0.574 255 V N 0.771 120.331 119.914 -0.590 0.000 2.529 255 V HA 0.410 4.520 4.120 -0.018 0.000 0.292 255 V C 0.752 176.775 176.094 -0.118 0.000 1.028 255 V CA 0.244 62.480 62.300 -0.107 0.000 1.074 255 V CB 0.921 32.863 31.823 0.198 0.000 0.958 255 V HN 0.880 nan 8.190 nan 0.000 0.481 256 V N 6.907 126.693 119.914 -0.214 0.000 2.588 256 V HA 0.462 4.572 4.120 -0.018 0.000 0.304 256 V C -0.197 175.581 176.094 -0.526 0.000 1.042 256 V CA -0.630 61.446 62.300 -0.374 0.000 0.877 256 V CB 1.926 33.545 31.823 -0.340 0.000 0.996 256 V HN 0.608 nan 8.190 nan 0.000 0.425 257 L N 5.143 125.937 121.223 -0.714 0.000 2.295 257 L HA 0.615 4.945 4.340 -0.018 0.000 0.285 257 L C -0.398 176.092 176.870 -0.632 0.000 1.035 257 L CA -0.525 53.931 54.840 -0.640 0.000 0.806 257 L CB 0.947 42.544 42.059 -0.771 0.000 1.214 257 L HN 0.614 nan 8.230 nan 0.000 0.426 258 H N 3.711 122.624 119.070 -0.262 0.000 2.569 258 H HA 0.275 4.820 4.556 -0.018 0.000 0.357 258 H C -0.157 174.978 175.328 -0.322 0.000 1.153 258 H CA -0.712 55.166 56.048 -0.283 0.000 1.193 258 H CB 1.901 31.475 29.762 -0.314 0.000 1.602 258 H HN 0.562 nan 8.280 nan 0.000 0.523 259 N N 1.379 119.958 118.700 -0.202 0.000 2.714 259 N HA -0.200 4.530 4.740 -0.018 0.000 0.252 259 N C -0.297 175.156 175.510 -0.095 0.000 1.014 259 N CA 0.482 53.415 53.050 -0.195 0.000 0.735 259 N CB -1.287 37.020 38.487 -0.300 0.000 0.924 259 N HN 0.554 nan 8.380 nan 0.000 0.540 260 I N 0.579 121.099 120.570 -0.083 0.000 2.581 260 I HA 0.200 4.359 4.170 -0.018 0.000 0.285 260 I C 1.020 177.200 176.117 0.104 0.000 1.129 260 I CA 0.269 61.582 61.300 0.022 0.000 1.397 260 I CB 0.404 38.392 38.000 -0.021 0.000 1.399 260 I HN 0.307 nan 8.210 nan 0.000 0.537 261 A N 7.017 129.961 122.820 0.206 0.000 2.515 261 A HA 0.791 5.100 4.320 -0.018 0.000 0.296 261 A C -1.536 176.199 177.584 0.251 0.000 1.094 261 A CA -0.446 51.703 52.037 0.186 0.000 0.718 261 A CB 1.566 20.628 19.000 0.103 0.000 1.307 261 A HN 0.514 nan 8.150 nan 0.000 0.408 262 F N 0.507 120.465 119.950 0.013 0.000 2.518 262 F HA 0.597 5.114 4.527 -0.018 0.000 0.323 262 F C 0.346 176.163 175.800 0.027 0.000 1.129 262 F CA -0.435 57.504 58.000 -0.101 0.000 0.920 262 F CB 1.770 40.656 39.000 -0.190 0.000 1.160 262 F HN 0.613 nan 8.300 nan 0.000 0.440 263 R N 4.128 124.576 120.500 -0.087 0.000 2.248 263 R HA 0.141 4.471 4.340 -0.018 0.000 0.337 263 R C -1.128 175.277 176.300 0.175 0.000 1.106 263 R CA -0.212 55.908 56.100 0.033 0.000 0.959 263 R CB -0.104 30.159 30.300 -0.061 0.000 1.075 263 R HN 0.541 nan 8.270 nan 0.000 0.480 264 D N 4.036 124.627 120.400 0.318 0.000 2.456 264 D HA 0.278 4.907 4.640 -0.018 0.000 0.219 264 D C 0.869 177.269 176.300 0.167 0.000 1.126 264 D CA 0.980 55.192 54.000 0.353 0.000 0.890 264 D CB 0.863 41.901 40.800 0.396 0.000 1.025 264 D HN 0.747 nan 8.370 nan 0.000 0.511 265 G N 4.850 113.721 108.800 0.118 0.000 2.557 265 G HA2 -0.338 3.612 3.960 -0.018 0.000 0.292 265 G HA3 -0.338 3.612 3.960 -0.018 0.000 0.292 265 G C 0.729 175.656 174.900 0.044 0.000 1.162 265 G CA 0.365 45.503 45.100 0.064 0.000 0.964 265 G HN 0.517 nan 8.290 nan 0.000 0.541 266 D N 1.828 122.249 120.400 0.036 0.000 2.367 266 D HA 0.149 4.778 4.640 -0.018 0.000 0.207 266 D C 1.480 177.797 176.300 0.027 0.000 1.034 266 D CA 0.787 54.801 54.000 0.025 0.000 0.861 266 D CB 0.119 40.929 40.800 0.016 0.000 0.943 266 D HN 0.750 nan 8.370 nan 0.000 0.515 267 R N 0.658 121.181 120.500 0.038 0.000 2.393 267 R HA 0.483 4.812 4.340 -0.018 0.000 0.310 267 R C -0.585 175.752 176.300 0.061 0.000 0.968 267 R CA -0.873 55.249 56.100 0.036 0.000 0.867 267 R CB 1.425 31.734 30.300 0.016 0.000 1.124 267 R HN -0.168 nan 8.270 nan 0.000 0.450 268 L N 3.713 124.966 121.223 0.050 0.000 2.295 268 L HA 0.293 4.623 4.340 -0.018 0.000 0.288 268 L C -0.516 176.397 176.870 0.072 0.000 1.079 268 L CA -0.124 54.757 54.840 0.068 0.000 0.830 268 L CB 0.356 42.444 42.059 0.049 0.000 1.200 268 L HN 0.613 nan 8.230 nan 0.000 0.438 269 R N 6.221 126.800 120.500 0.131 0.000 2.229 269 R HA 0.452 4.781 4.340 -0.018 0.000 0.328 269 R C -2.335 174.062 176.300 0.161 0.000 1.009 269 R CA -1.761 54.420 56.100 0.136 0.000 0.864 269 R CB 0.678 31.084 30.300 0.177 0.000 1.085 269 R HN 0.454 nan 8.270 nan 0.000 0.453 270 P HA 0.128 nan 4.420 nan 0.000 0.274 270 P C -0.063 177.244 177.300 0.012 0.000 1.231 270 P CA 0.047 63.142 63.100 -0.007 0.000 0.790 270 P CB 0.871 32.483 31.700 -0.146 0.000 0.951 271 I N 0.675 121.197 120.570 -0.079 0.000 3.746 271 I HA 0.245 4.405 4.170 -0.018 0.000 0.262 271 I C 0.447 176.439 176.117 -0.208 0.000 1.153 271 I CA 0.324 61.484 61.300 -0.233 0.000 1.395 271 I CB 0.331 38.070 38.000 -0.435 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.497 121.974 120.570 -0.155 0.000 2.478 272 I HA 0.163 4.322 4.170 -0.018 0.000 0.287 272 I C 0.664 176.706 176.117 -0.124 0.000 1.042 272 I CA -0.239 60.980 61.300 -0.134 0.000 1.067 272 I CB 2.009 39.929 38.000 -0.134 0.000 1.233 272 I HN 0.121 nan 8.210 nan 0.000 0.431 273 N N 5.636 124.283 118.700 -0.088 0.000 2.142 273 N HA -0.010 4.720 4.740 -0.018 0.000 0.186 273 N C 0.551 176.022 175.510 -0.065 0.000 1.023 273 N CA 1.115 54.141 53.050 -0.041 0.000 0.852 273 N CB 0.516 39.090 38.487 0.147 0.000 0.998 273 N HN 0.552 nan 8.380 nan 0.000 0.424 274 R N -0.198 120.236 120.500 -0.109 0.000 2.535 274 R HA 0.483 4.813 4.340 -0.018 0.000 0.274 274 R C -2.083 174.058 176.300 -0.265 0.000 1.090 274 R CA -0.518 55.458 56.100 -0.206 0.000 0.930 274 R CB 1.842 32.071 30.300 -0.118 0.000 1.223 274 R HN 0.061 nan 8.270 nan 0.000 0.441 275 A N 2.279 124.860 122.820 -0.399 0.000 2.356 275 A HA 0.739 5.049 4.320 -0.018 0.000 0.310 275 A C -1.049 176.286 177.584 -0.414 0.000 1.075 275 A CA -0.420 51.380 52.037 -0.394 0.000 0.746 275 A CB 1.588 20.235 19.000 -0.588 0.000 1.221 275 A HN 0.828 nan 8.150 nan 0.000 0.443 276 S N 1.257 116.893 115.700 -0.108 0.000 2.615 276 S HA 0.666 5.126 4.470 -0.018 0.000 0.269 276 S C -1.172 173.527 174.600 0.164 0.000 1.161 276 S CA -0.716 57.502 58.200 0.030 0.000 0.817 276 S CB 0.877 64.022 63.200 -0.091 0.000 1.131 276 S HN 0.563 nan 8.310 nan 0.000 0.467 277 I N 2.221 122.889 120.570 0.163 0.000 2.287 277 I HA 0.406 4.565 4.170 -0.018 0.000 0.290 277 I C 1.311 177.491 176.117 0.104 0.000 1.069 277 I CA -0.507 60.873 61.300 0.133 0.000 1.237 277 I CB 0.236 38.349 38.000 0.189 0.000 1.418 277 I HN 0.985 nan 8.210 nan 0.000 0.481 278 A N 5.081 127.956 122.820 0.093 0.000 2.169 278 A HA 0.113 4.423 4.320 -0.018 0.000 0.212 278 A C 0.745 178.386 177.584 0.095 0.000 1.153 278 A CA 0.881 53.002 52.037 0.140 0.000 0.756 278 A CB 0.108 19.209 19.000 0.168 0.000 0.813 278 A HN 0.657 nan 8.150 nan 0.000 0.471 279 E N -1.585 118.612 120.200 -0.005 0.000 2.396 279 E HA 0.559 4.899 4.350 -0.018 0.000 0.280 279 E C -1.085 175.507 176.600 -0.013 0.000 1.065 279 E CA -0.373 55.984 56.400 -0.071 0.000 0.831 279 E CB 0.890 30.377 29.700 -0.356 0.000 1.272 279 E HN 0.471 nan 8.360 nan 0.000 0.443 280 M N 1.730 121.349 119.600 0.031 0.000 2.325 280 M HA 0.685 5.154 4.480 -0.018 0.000 0.285 280 M C -1.826 174.400 176.300 -0.122 0.000 1.119 280 M CA -0.978 54.242 55.300 -0.133 0.000 0.959 280 M CB 1.923 34.349 32.600 -0.291 0.000 1.737 280 M HN 0.292 nan 8.290 nan 0.000 0.486 281 V N 3.435 123.196 119.914 -0.255 0.000 2.680 281 V HA 0.822 4.931 4.120 -0.018 0.000 0.309 281 V C -1.420 174.412 176.094 -0.437 0.000 1.052 281 V CA -0.481 61.525 62.300 -0.491 0.000 0.908 281 V CB 2.411 33.796 31.823 -0.729 0.000 1.001 281 V HN 0.816 nan 8.190 nan 0.000 0.431 282 V N 8.512 128.186 119.914 -0.401 0.000 2.276 282 V HA 0.422 4.531 4.120 -0.018 0.000 0.268 282 V C -2.431 173.376 176.094 -0.479 0.000 1.032 282 V CA -1.288 60.781 62.300 -0.386 0.000 0.810 282 V CB 1.431 33.178 31.823 -0.126 0.000 1.060 282 V HN 0.822 nan 8.190 nan 0.000 0.446 283 P HA 0.352 nan 4.420 nan 0.000 0.290 283 P C -1.286 175.771 177.300 -0.405 0.000 1.276 283 P CA -0.389 62.493 63.100 -0.364 0.000 0.808 283 P CB 1.152 32.673 31.700 -0.298 0.000 0.966 284 Y N 0.641 120.756 120.300 -0.308 0.000 2.334 284 Y HA 0.457 4.996 4.550 -0.017 0.000 0.328 284 Y C 1.793 177.603 175.900 -0.150 0.000 1.130 284 Y CA 0.358 58.323 58.100 -0.224 0.000 1.163 284 Y CB 1.327 39.582 38.460 -0.341 0.000 1.207 284 Y HN 0.486 nan 8.280 nan 0.000 0.471 285 G N 1.108 109.919 108.800 0.019 0.000 3.605 285 G HA2 -0.010 3.940 3.960 -0.018 0.000 0.277 285 G HA3 -0.010 3.940 3.960 -0.018 0.000 0.277 285 G C -0.637 174.279 174.900 0.027 0.000 1.093 285 G CA -0.148 44.969 45.100 0.030 0.000 0.821 285 G HN 0.515 nan 8.290 nan 0.000 0.532 286 D N 1.139 121.540 120.400 0.002 0.000 2.317 286 D HA 0.257 4.887 4.640 -0.018 0.000 0.234 286 D C -1.218 175.043 176.300 -0.064 0.000 1.112 286 D CA -2.420 51.548 54.000 -0.053 0.000 0.840 286 D CB 2.232 42.994 40.800 -0.062 0.000 1.078 286 D HN 0.027 nan 8.370 nan 0.000 0.486 287 P HA -0.017 nan 4.420 nan 0.000 0.242 287 P C 0.283 177.565 177.300 -0.031 0.000 1.197 287 P CA -0.071 63.008 63.100 -0.034 0.000 0.765 287 P CB 0.090 31.782 31.700 -0.013 0.000 0.936 288 S N 2.532 118.206 115.700 -0.044 0.000 2.549 288 S HA 0.112 4.571 4.470 -0.018 0.000 0.286 288 S C -0.928 173.672 174.600 0.001 0.000 1.314 288 S CA -1.112 57.078 58.200 -0.017 0.000 1.062 288 S CB 0.238 63.413 63.200 -0.042 0.000 0.865 288 S HN 0.022 nan 8.310 nan 0.000 0.498 289 P HA -0.096 nan 4.420 nan 0.000 0.223 289 P C 1.290 178.726 177.300 0.227 0.000 1.144 289 P CA 0.629 63.807 63.100 0.130 0.000 0.783 289 P CB -0.046 31.736 31.700 0.137 0.000 0.771 290 I N -0.229 120.434 120.570 0.156 0.000 2.546 290 I HA -0.067 4.093 4.170 -0.018 0.000 0.255 290 I C 2.091 178.338 176.117 0.217 0.000 1.163 290 I CA 1.206 62.644 61.300 0.230 0.000 1.457 290 I CB -0.945 37.107 38.000 0.086 0.000 1.092 290 I HN 0.033 nan 8.210 nan 0.000 0.434 291 R N -0.603 119.815 120.500 -0.138 0.000 2.541 291 R HA 0.104 4.434 4.340 -0.018 0.000 0.332 291 R C 1.845 177.684 176.300 -0.769 0.000 0.951 291 R CA 0.425 56.151 56.100 -0.623 0.000 1.136 291 R CB 0.330 30.387 30.300 -0.404 0.000 1.449 291 R HN 0.251 nan 8.270 nan 0.000 0.531 292 S N 0.636 116.076 115.700 -0.434 0.000 2.547 292 S HA -0.096 4.363 4.470 -0.018 0.000 0.235 292 S C 1.365 175.733 174.600 -0.387 0.000 0.980 292 S CA 0.250 58.266 58.200 -0.307 0.000 0.941 292 S CB -0.358 62.764 63.200 -0.129 0.000 0.763 292 S HN 0.600 nan 8.310 nan 0.000 0.532 293 W N 0.469 121.558 121.300 -0.353 0.000 3.211 293 W HA 0.385 5.034 4.660 -0.018 0.000 0.292 293 W C 0.463 176.917 176.519 -0.109 0.000 1.268 293 W CA -0.668 56.304 57.345 -0.620 0.000 1.702 293 W CB -0.599 28.405 29.460 -0.760 0.000 1.092 293 W HN 0.264 nan 8.180 nan 0.000 0.643 294 Q N 2.952 122.226 119.800 -0.876 0.000 2.300 294 Q HA 0.091 4.421 4.340 -0.018 0.000 0.262 294 Q C -0.748 175.004 176.000 -0.412 0.000 1.109 294 Q CA 0.730 56.032 55.803 -0.836 0.000 0.905 294 Q CB 0.026 27.975 28.738 -1.315 0.000 1.280 294 Q HN 0.075 nan 8.270 nan 0.000 0.426 295 N N 4.390 122.915 118.700 -0.291 0.000 2.537 295 N HA 0.182 4.911 4.740 -0.018 0.000 0.281 295 N C -1.844 173.528 175.510 -0.231 0.000 1.097 295 N CA -0.434 52.416 53.050 -0.333 0.000 0.964 295 N CB 1.245 39.667 38.487 -0.108 0.000 1.588 295 N HN 0.334 nan 8.380 nan 0.000 0.511 296 Y N 0.187 120.461 120.300 -0.044 0.000 2.468 296 Y HA 0.597 5.136 4.550 -0.018 0.000 0.342 296 Y C -0.317 175.480 175.900 -0.172 0.000 1.021 296 Y CA -1.093 57.008 58.100 0.001 0.000 1.079 296 Y CB 1.042 39.604 38.460 0.170 0.000 1.226 296 Y HN 0.313 nan 8.280 nan 0.000 0.460 297 F N 2.381 122.356 119.950 0.042 0.000 2.310 297 F HA 0.301 4.817 4.527 -0.018 0.000 0.365 297 F C 0.964 176.765 175.800 0.001 0.000 1.080 297 F CA -0.828 57.181 58.000 0.014 0.000 1.187 297 F CB 0.524 39.512 39.000 -0.021 0.000 1.465 297 F HN 0.664 nan 8.300 nan 0.000 0.496 298 D N 0.736 121.287 120.400 0.253 0.000 2.158 298 D HA -0.161 4.469 4.640 -0.018 0.000 0.197 298 D C 1.777 178.277 176.300 0.334 0.000 0.995 298 D CA 1.871 56.112 54.000 0.402 0.000 0.846 298 D CB 0.238 41.290 40.800 0.420 0.000 0.941 298 D HN 0.415 nan 8.370 nan 0.000 0.456 299 T N -0.114 114.568 114.554 0.213 0.000 2.735 299 T HA -0.025 4.314 4.350 -0.018 0.000 0.256 299 T C 2.012 176.733 174.700 0.036 0.000 1.042 299 T CA 1.296 63.471 62.100 0.126 0.000 1.147 299 T CB -0.528 68.384 68.868 0.073 0.000 0.865 299 T HN 0.213 nan 8.240 nan 0.000 0.421 300 G N 0.892 109.698 108.800 0.010 0.000 2.403 300 G HA2 -0.113 3.836 3.960 -0.018 0.000 0.216 300 G HA3 -0.113 3.836 3.960 -0.018 0.000 0.216 300 G C 1.467 176.324 174.900 -0.071 0.000 1.154 300 G CA 0.523 45.549 45.100 -0.123 0.000 0.784 300 G HN 0.489 nan 8.290 nan 0.000 0.538 301 E N -1.034 119.159 120.200 -0.011 0.000 2.127 301 E HA 0.090 4.429 4.350 -0.018 0.000 0.191 301 E C 1.893 178.547 176.600 0.090 0.000 0.964 301 E CA 0.374 56.739 56.400 -0.058 0.000 0.832 301 E CB 0.017 29.590 29.700 -0.211 0.000 0.790 301 E HN 0.655 nan 8.360 nan 0.000 0.465 302 Y N 0.036 120.503 120.300 0.279 0.000 2.509 302 Y HA 0.249 4.788 4.550 -0.018 0.000 0.270 302 Y C 0.059 176.177 175.900 0.364 0.000 1.103 302 Y CA -0.379 57.955 58.100 0.389 0.000 1.278 302 Y CB 0.697 39.431 38.460 0.458 0.000 1.087 302 Y HN -0.159 nan 8.280 nan 0.000 0.542 303 L N 0.937 122.381 121.223 0.369 0.000 3.133 303 L HA -0.214 4.116 4.340 -0.018 0.000 0.697 303 L C 1.170 178.189 176.870 0.247 0.000 1.093 303 L CA -0.141 54.825 54.840 0.211 0.000 1.305 303 L CB -1.695 40.450 42.059 0.142 0.000 1.841 303 L HN 0.206 nan 8.230 nan 0.000 0.896 304 V N -0.665 119.418 119.914 0.281 0.000 2.380 304 V HA -0.188 3.921 4.120 -0.018 0.000 0.251 304 V C 2.246 178.521 176.094 0.301 0.000 1.063 304 V CA 2.369 64.891 62.300 0.369 0.000 1.055 304 V CB -0.715 31.317 31.823 0.348 0.000 0.657 304 V HN 0.819 nan 8.190 nan 0.000 0.455 305 G N -0.385 108.453 108.800 0.063 0.000 2.442 305 G HA2 -0.340 3.609 3.960 -0.018 0.000 0.219 305 G HA3 -0.340 3.609 3.960 -0.018 0.000 0.219 305 G C 1.578 176.589 174.900 0.184 0.000 1.141 305 G CA 0.953 46.046 45.100 -0.012 0.000 0.763 305 G HN 0.694 nan 8.290 nan 0.000 0.554 306 Q N -0.697 119.087 119.800 -0.026 0.000 2.181 306 Q HA -0.143 4.186 4.340 -0.018 0.000 0.205 306 Q C 1.173 176.993 176.000 -0.299 0.000 0.980 306 Q CA 1.180 56.838 55.803 -0.241 0.000 0.862 306 Q CB -0.198 28.220 28.738 -0.533 0.000 0.905 306 Q HN 0.598 nan 8.270 nan 0.000 0.429 307 Y N -0.111 120.345 120.300 0.260 0.000 2.571 307 Y HA 0.448 4.987 4.550 -0.018 0.000 0.275 307 Y C 0.356 176.433 175.900 0.294 0.000 1.179 307 Y CA -0.370 57.876 58.100 0.243 0.000 1.242 307 Y CB -0.223 38.366 38.460 0.214 0.000 1.126 307 Y HN 0.100 nan 8.280 nan 0.000 0.524 308 A N 0.910 123.985 122.820 0.424 0.000 2.511 308 A HA 0.086 4.395 4.320 -0.018 0.000 0.242 308 A C 0.328 178.108 177.584 0.327 0.000 1.069 308 A CA -0.266 52.058 52.037 0.478 0.000 0.763 308 A CB -0.250 19.028 19.000 0.463 0.000 1.001 308 A HN 0.612 nan 8.150 nan 0.000 0.498 309 N N 0.696 119.595 118.700 0.330 0.000 2.424 309 N HA 0.302 5.032 4.740 -0.018 0.000 0.257 309 N C -0.366 175.239 175.510 0.158 0.000 1.250 309 N CA -0.267 52.913 53.050 0.217 0.000 0.946 309 N CB 0.585 39.186 38.487 0.191 0.000 1.175 309 N HN 0.536 nan 8.380 nan 0.000 0.477 310 S N 1.127 116.880 115.700 0.089 0.000 2.430 310 S HA 0.231 4.690 4.470 -0.018 0.000 0.289 310 S C -0.042 174.578 174.600 0.033 0.000 1.143 310 S CA -0.631 57.588 58.200 0.030 0.000 1.067 310 S CB -0.011 63.182 63.200 -0.010 0.000 0.964 310 S HN 0.266 nan 8.310 nan 0.000 0.485 311 L N 3.408 124.667 121.223 0.059 0.000 2.361 311 L HA 0.311 4.640 4.340 -0.018 0.000 0.278 311 L C 0.404 177.310 176.870 0.060 0.000 1.113 311 L CA -0.518 54.389 54.840 0.112 0.000 0.849 311 L CB 0.231 42.448 42.059 0.264 0.000 1.155 311 L HN 0.438 nan 8.230 nan 0.000 0.452 312 E N 2.675 122.906 120.200 0.051 0.000 2.290 312 E HA 0.213 4.553 4.350 -0.018 0.000 0.277 312 E C -0.581 176.081 176.600 0.104 0.000 1.035 312 E CA -0.478 55.945 56.400 0.038 0.000 0.873 312 E CB 1.106 30.814 29.700 0.013 0.000 1.029 312 E HN 0.234 nan 8.360 nan 0.000 0.419 313 L N 3.323 124.625 121.223 0.132 0.000 2.462 313 L HA 0.345 4.675 4.340 -0.018 0.000 0.272 313 L C 1.260 178.179 176.870 0.081 0.000 1.166 313 L CA 1.756 56.699 54.840 0.173 0.000 0.880 313 L CB 0.150 42.330 42.059 0.202 0.000 1.142 313 L HN 0.699 nan 8.230 nan 0.000 0.473 314 G N 2.206 111.039 108.800 0.055 0.000 2.424 314 G HA2 -0.322 3.628 3.960 -0.018 0.000 0.207 314 G HA3 -0.322 3.628 3.960 -0.018 0.000 0.207 314 G C 0.889 175.799 174.900 0.017 0.000 1.061 314 G CA 0.460 45.576 45.100 0.028 0.000 0.657 314 G HN 1.069 nan 8.290 nan 0.000 0.508 315 C N -1.441 117.871 119.300 0.019 0.000 2.628 315 C HA 0.494 4.944 4.460 -0.018 0.000 0.393 315 C C 1.870 176.861 174.990 0.001 0.000 1.328 315 C CA 1.413 60.433 59.018 0.003 0.000 2.079 315 C CB -0.119 27.616 27.740 -0.009 0.000 2.663 315 C HN 0.315 nan 8.230 nan 0.000 0.557 316 D N 0.679 121.091 120.400 0.020 0.000 2.149 316 D HA 0.084 4.714 4.640 -0.018 0.000 0.206 316 D C 0.142 176.484 176.300 0.070 0.000 0.967 316 D CA 1.232 55.253 54.000 0.034 0.000 0.848 316 D CB 0.166 41.000 40.800 0.056 0.000 0.998 316 D HN 0.489 nan 8.370 nan 0.000 0.474 317 c N 1.787 120.416 118.600 0.049 0.000 2.344 317 c HA 0.462 5.022 4.570 -0.018 0.000 0.326 317 c C -0.325 173.701 174.090 -0.107 0.000 1.201 317 c CA -1.127 55.167 56.329 -0.059 0.000 1.410 317 c CB 0.618 43.074 42.510 -0.090 0.000 2.070 317 c HN 0.170 nan 8.230 nan 0.000 0.445 318 L N 4.397 125.539 121.223 -0.134 0.000 2.289 318 L HA 0.921 5.250 4.340 -0.018 0.000 0.285 318 L C 0.521 177.316 176.870 -0.124 0.000 1.049 318 L CA 1.776 56.566 54.840 -0.084 0.000 0.804 318 L CB 0.658 42.702 42.059 -0.027 0.000 1.195 318 L HN 1.077 nan 8.230 nan 0.000 0.428 319 G N 3.549 112.313 108.800 -0.059 0.000 2.396 319 G HA2 -0.147 3.802 3.960 -0.018 0.000 0.254 319 G HA3 -0.147 3.802 3.960 -0.018 0.000 0.254 319 G C -1.078 173.811 174.900 -0.018 0.000 1.248 319 G CA -0.278 44.809 45.100 -0.022 0.000 1.033 319 G HN 0.739 nan 8.290 nan 0.000 0.502 320 D N 1.403 121.820 120.400 0.027 0.000 2.402 320 D HA 0.389 5.018 4.640 -0.018 0.000 0.235 320 D C 0.347 176.674 176.300 0.045 0.000 1.226 320 D CA -0.092 53.929 54.000 0.035 0.000 0.918 320 D CB -0.011 40.818 40.800 0.048 0.000 1.043 320 D HN 0.364 nan 8.370 nan 0.000 0.506 321 I N 2.523 123.068 120.570 -0.042 0.000 2.392 321 I HA 0.208 4.367 4.170 -0.018 0.000 0.295 321 I C 0.671 176.699 176.117 -0.149 0.000 0.985 321 I CA -0.531 60.675 61.300 -0.156 0.000 1.221 321 I CB 1.525 39.242 38.000 -0.473 0.000 1.366 321 I HN 0.090 nan 8.210 nan 0.000 0.467 322 T N 6.256 120.781 114.554 -0.049 0.000 2.772 322 T HA 0.508 4.848 4.350 -0.018 0.000 0.288 322 T C -0.533 174.131 174.700 -0.061 0.000 0.994 322 T CA -0.267 61.866 62.100 0.055 0.000 0.951 322 T CB 0.422 69.476 68.868 0.309 0.000 0.933 322 T HN 0.167 nan 8.240 nan 0.000 0.447 323 Y N 2.078 122.434 120.300 0.093 0.000 2.376 323 Y HA 0.645 5.184 4.550 -0.017 0.000 0.325 323 Y C 0.296 176.217 175.900 0.035 0.000 1.199 323 Y CA -1.176 56.958 58.100 0.055 0.000 1.206 323 Y CB 0.990 39.472 38.460 0.037 0.000 1.229 323 Y HN 0.371 nan 8.280 nan 0.000 0.480 324 L N 1.110 122.454 121.223 0.202 0.000 2.354 324 L HA 0.564 4.893 4.340 -0.018 0.000 0.269 324 L C -0.600 176.283 176.870 0.021 0.000 1.005 324 L CA -0.710 54.178 54.840 0.080 0.000 0.819 324 L CB 2.060 44.135 42.059 0.027 0.000 1.311 324 L HN 0.524 nan 8.230 nan 0.000 0.423 325 S N 2.564 118.246 115.700 -0.031 0.000 2.399 325 S HA 0.329 4.788 4.470 -0.018 0.000 0.215 325 S C -2.418 172.105 174.600 -0.127 0.000 1.456 325 S CA -0.978 57.169 58.200 -0.089 0.000 1.199 325 S CB 0.880 64.047 63.200 -0.056 0.000 1.063 325 S HN 0.371 nan 8.310 nan 0.000 0.476 326 P HA 0.210 nan 4.420 nan 0.000 0.269 326 P C -0.685 176.532 177.300 -0.137 0.000 1.215 326 P CA -0.269 62.686 63.100 -0.242 0.000 0.780 326 P CB 0.703 32.026 31.700 -0.629 0.000 0.898 327 V N 3.660 123.556 119.914 -0.030 0.000 2.513 327 V HA 0.488 4.597 4.120 -0.018 0.000 0.299 327 V C 0.681 176.803 176.094 0.047 0.000 1.035 327 V CA -0.569 61.732 62.300 0.003 0.000 0.889 327 V CB 1.239 33.072 31.823 0.016 0.000 0.988 327 V HN 0.509 nan 8.190 nan 0.000 0.440 328 I N 0.742 121.332 120.570 0.033 0.000 3.239 328 I HA 0.791 4.950 4.170 -0.018 0.000 0.314 328 I C -0.184 175.931 176.117 -0.004 0.000 1.126 328 I CA -0.665 60.653 61.300 0.031 0.000 0.973 328 I CB 2.331 40.358 38.000 0.046 0.000 1.252 328 I HN 0.524 nan 8.210 nan 0.000 0.463 329 S N 1.180 116.859 115.700 -0.035 0.000 2.585 329 S HA 0.346 4.806 4.470 -0.018 0.000 0.277 329 S C -0.484 174.093 174.600 -0.039 0.000 1.241 329 S CA -0.512 57.663 58.200 -0.043 0.000 1.041 329 S CB 0.655 63.810 63.200 -0.076 0.000 0.987 329 S HN 0.805 nan 8.310 nan 0.000 0.512 330 D N 2.700 123.090 120.400 -0.016 0.000 2.478 330 D HA 0.409 5.038 4.640 -0.018 0.000 0.274 330 D C 1.183 177.417 176.300 -0.111 0.000 1.234 330 D CA -0.126 53.859 54.000 -0.024 0.000 1.069 330 D CB -0.040 40.792 40.800 0.053 0.000 1.113 330 D HN 0.478 nan 8.370 nan 0.000 0.571 331 A N -1.273 121.390 122.820 -0.262 0.000 2.172 331 A HA 0.012 4.321 4.320 -0.018 0.000 0.216 331 A C 1.358 178.554 177.584 -0.647 0.000 1.154 331 A CA 0.662 52.401 52.037 -0.496 0.000 0.701 331 A CB -0.874 17.712 19.000 -0.692 0.000 0.789 331 A HN 0.443 nan 8.150 nan 0.000 0.465 332 F N -1.616 118.346 119.950 0.020 0.000 2.678 332 F HA 0.409 4.925 4.527 -0.018 0.000 0.305 332 F C 1.712 177.509 175.800 -0.004 0.000 1.090 332 F CA 0.151 58.157 58.000 0.011 0.000 1.272 332 F CB 0.224 39.230 39.000 0.010 0.000 1.060 332 F HN 0.284 nan 8.300 nan 0.000 0.576 333 G N 0.616 109.461 108.800 0.076 0.000 2.157 333 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.239 333 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.239 333 G C -0.094 174.822 174.900 0.025 0.000 0.982 333 G CA -0.322 44.795 45.100 0.028 0.000 0.650 333 G HN 0.427 nan 8.290 nan 0.000 0.527 334 N N 2.411 121.152 118.700 0.068 0.000 2.518 334 N HA 0.521 5.251 4.740 -0.018 0.000 0.283 334 N C -2.305 173.218 175.510 0.021 0.000 1.119 334 N CA -1.229 51.849 53.050 0.047 0.000 0.983 334 N CB 1.598 40.133 38.487 0.080 0.000 1.139 334 N HN 0.134 nan 8.380 nan 0.000 0.465 335 P HA 0.060 nan 4.420 nan 0.000 0.271 335 P C -1.109 176.196 177.300 0.010 0.000 1.216 335 P CA 0.005 63.104 63.100 -0.002 0.000 0.776 335 P CB 0.920 32.613 31.700 -0.011 0.000 0.881 336 R N 1.919 122.424 120.500 0.008 0.000 2.532 336 R HA 0.320 4.650 4.340 -0.018 0.000 0.297 336 R C -0.822 175.478 176.300 -0.001 0.000 0.984 336 R CA -0.632 55.475 56.100 0.011 0.000 0.884 336 R CB 1.693 32.005 30.300 0.019 0.000 1.182 336 R HN 0.468 nan 8.270 nan 0.000 0.442 337 E N 5.211 125.406 120.200 -0.007 0.000 2.216 337 E HA 0.230 4.570 4.350 -0.018 0.000 0.279 337 E C -0.715 175.862 176.600 -0.037 0.000 0.997 337 E CA -0.644 55.739 56.400 -0.028 0.000 0.817 337 E CB 1.093 30.777 29.700 -0.026 0.000 1.096 337 E HN 0.574 nan 8.360 nan 0.000 0.393 338 I N 4.867 125.391 120.570 -0.076 0.000 2.313 338 I HA 0.204 4.364 4.170 -0.018 0.000 0.286 338 I C 0.167 176.229 176.117 -0.092 0.000 1.091 338 I CA -0.645 60.609 61.300 -0.077 0.000 1.216 338 I CB 0.488 38.411 38.000 -0.127 0.000 1.434 338 I HN 0.382 nan 8.210 nan 0.000 0.487 339 R N 6.330 126.790 120.500 -0.066 0.000 2.502 339 R HA 0.005 4.335 4.340 -0.018 0.000 0.292 339 R C 0.493 176.719 176.300 -0.123 0.000 0.998 339 R CA 0.463 56.510 56.100 -0.088 0.000 1.056 339 R CB -0.041 30.212 30.300 -0.079 0.000 0.939 339 R HN 0.572 nan 8.270 nan 0.000 0.411 340 N N 2.394 120.996 118.700 -0.163 0.000 2.716 340 N HA -0.181 4.548 4.740 -0.018 0.000 0.250 340 N C 0.511 176.008 175.510 -0.021 0.000 1.033 340 N CA 1.288 54.193 53.050 -0.241 0.000 0.727 340 N CB -1.266 36.790 38.487 -0.718 0.000 0.950 340 N HN 0.856 nan 8.380 nan 0.000 0.541 341 G N -1.051 107.738 108.800 -0.017 0.000 2.572 341 G HA2 0.224 4.174 3.960 -0.018 0.000 0.216 341 G HA3 0.224 4.174 3.960 -0.018 0.000 0.216 341 G C 0.528 175.486 174.900 0.097 0.000 1.133 341 G CA 0.236 45.341 45.100 0.008 0.000 0.791 341 G HN 0.452 nan 8.290 nan 0.000 0.538 342 I N 0.293 120.935 120.570 0.120 0.000 2.466 342 I HA 0.307 4.466 4.170 -0.018 0.000 0.289 342 I C -0.768 175.470 176.117 0.203 0.000 1.026 342 I CA -0.915 60.478 61.300 0.155 0.000 1.078 342 I CB 2.466 40.494 38.000 0.046 0.000 1.249 342 I HN -0.191 nan 8.210 nan 0.000 0.429 343 c N 6.757 125.447 118.600 0.149 0.000 2.358 343 c HA 0.690 5.249 4.570 -0.018 0.000 0.342 343 c C 0.050 174.142 174.090 0.004 0.000 1.234 343 c CA -0.501 55.834 56.329 0.011 0.000 1.969 343 c CB 0.752 43.287 42.510 0.043 0.000 2.346 343 c HN 0.664 nan 8.230 nan 0.000 0.525 344 M N 5.443 125.008 119.600 -0.058 0.000 2.267 344 M HA 0.491 4.960 4.480 -0.018 0.000 0.289 344 M C -0.671 175.601 176.300 -0.047 0.000 1.043 344 M CA -0.126 55.072 55.300 -0.169 0.000 0.928 344 M CB 1.786 34.206 32.600 -0.300 0.000 1.613 344 M HN 0.960 nan 8.290 nan 0.000 0.450 345 H N 0.938 119.815 119.070 -0.321 0.000 2.950 345 H HA 0.482 5.027 4.556 -0.017 0.000 0.307 345 H C -2.061 173.157 175.328 -0.182 0.000 1.403 345 H CA -1.092 54.917 56.048 -0.065 0.000 1.145 345 H CB 1.042 30.808 29.762 0.006 0.000 1.844 345 H HN 0.725 nan 8.280 nan 0.000 0.515 346 E N 1.168 121.378 120.200 0.018 0.000 2.195 346 E HA 0.564 4.904 4.350 -0.018 0.000 0.271 346 E C -0.995 175.627 176.600 0.037 0.000 0.923 346 E CA -0.905 55.410 56.400 -0.141 0.000 0.790 346 E CB 2.644 32.403 29.700 0.098 0.000 1.155 346 E HN 0.581 nan 8.360 nan 0.000 0.402 347 E N 1.613 121.800 120.200 -0.023 0.000 2.227 347 E HA 0.157 4.496 4.350 -0.018 0.000 0.268 347 E C -1.335 175.391 176.600 0.209 0.000 0.907 347 E CA -0.987 55.488 56.400 0.125 0.000 0.786 347 E CB 1.875 31.638 29.700 0.105 0.000 1.191 347 E HN 0.583 nan 8.360 nan 0.000 0.411 348 D N 1.043 121.580 120.400 0.228 0.000 2.414 348 D HA -0.052 4.577 4.640 -0.018 0.000 0.242 348 D C -0.852 175.663 176.300 0.359 0.000 1.129 348 D CA 0.196 54.338 54.000 0.236 0.000 0.885 348 D CB 0.562 41.447 40.800 0.142 0.000 1.198 348 D HN 0.419 nan 8.370 nan 0.000 0.437 349 W N 5.808 127.153 121.300 0.076 0.000 1.340 349 W HA 0.371 5.020 4.660 -0.018 0.000 0.301 349 W C 0.335 176.889 176.519 0.058 0.000 0.834 349 W CA 0.050 57.439 57.345 0.073 0.000 2.473 349 W CB 0.127 29.677 29.460 0.150 0.000 1.837 349 W HN 0.846 nan 8.180 nan 0.000 0.528 350 G N 1.960 110.681 108.800 -0.131 0.000 2.564 350 G HA2 -0.335 3.614 3.960 -0.018 0.000 0.273 350 G HA3 -0.335 3.614 3.960 -0.018 0.000 0.273 350 G C -0.351 174.522 174.900 -0.044 0.000 1.242 350 G CA -0.015 44.990 45.100 -0.159 0.000 0.951 350 G HN 0.090 nan 8.290 nan 0.000 0.564 351 I N 1.423 121.959 120.570 -0.057 0.000 2.441 351 I HA 0.234 4.394 4.170 -0.018 0.000 0.287 351 I C 1.567 177.707 176.117 0.038 0.000 1.049 351 I CA -0.132 61.163 61.300 -0.008 0.000 1.381 351 I CB 0.826 38.815 38.000 -0.019 0.000 1.409 351 I HN 0.629 nan 8.210 nan 0.000 0.523 352 L N 6.638 127.902 121.223 0.067 0.000 2.145 352 L HA 0.446 4.776 4.340 -0.018 0.000 0.201 352 L C 0.649 177.575 176.870 0.093 0.000 1.075 352 L CA 1.113 56.015 54.840 0.102 0.000 0.773 352 L CB 0.092 42.221 42.059 0.116 0.000 0.936 352 L HN 0.707 nan 8.230 nan 0.000 0.451 353 A N -0.539 122.342 122.820 0.103 0.000 2.589 353 A HA 0.662 4.972 4.320 -0.018 0.000 0.296 353 A C -1.117 176.582 177.584 0.191 0.000 1.062 353 A CA -0.600 51.530 52.037 0.155 0.000 0.686 353 A CB 1.124 20.264 19.000 0.233 0.000 1.282 353 A HN 0.069 nan 8.150 nan 0.000 0.404 354 K N 0.930 121.453 120.400 0.204 0.000 2.557 354 K HA 0.566 4.875 4.320 -0.018 0.000 0.257 354 K C -2.242 174.509 176.600 0.251 0.000 0.933 354 K CA -0.508 55.910 56.287 0.218 0.000 0.820 354 K CB 1.734 34.295 32.500 0.102 0.000 1.330 354 K HN 1.091 nan 8.250 nan 0.000 0.432 355 H N 0.288 119.437 119.070 0.132 0.000 3.129 355 H HA 0.378 4.923 4.556 -0.019 0.000 0.342 355 H C -1.946 173.410 175.328 0.046 0.000 1.092 355 H CA -0.372 55.704 56.048 0.047 0.000 1.310 355 H CB 1.885 31.644 29.762 -0.006 0.000 1.932 355 H HN 0.419 nan 8.280 nan 0.000 0.507 356 S N 4.073 119.475 115.700 -0.497 0.000 2.520 356 S HA 0.184 4.644 4.470 -0.018 0.000 0.324 356 S C -0.796 173.365 174.600 -0.732 0.000 1.069 356 S CA -0.683 57.270 58.200 -0.413 0.000 1.121 356 S CB 0.565 63.643 63.200 -0.202 0.000 0.971 356 S HN 0.648 nan 8.310 nan 0.000 0.463 357 D N 2.094 122.123 120.400 -0.618 0.000 2.249 357 D HA 0.312 4.941 4.640 -0.018 0.000 0.246 357 D C 0.955 177.132 176.300 -0.205 0.000 1.114 357 D CA -0.586 53.157 54.000 -0.429 0.000 0.854 357 D CB 0.893 41.616 40.800 -0.127 0.000 1.132 357 D HN 0.259 nan 8.370 nan 0.000 0.461 358 L N 5.473 126.552 121.223 -0.240 0.000 1.988 358 L HA -0.030 4.300 4.340 -0.018 0.000 0.207 358 L C 1.483 178.364 176.870 0.018 0.000 1.071 358 L CA 1.579 56.324 54.840 -0.159 0.000 0.744 358 L CB -0.534 41.362 42.059 -0.271 0.000 0.893 358 L HN 0.609 nan 8.230 nan 0.000 0.433 359 W N 0.007 121.308 121.300 0.001 0.000 2.338 359 W HA -0.179 4.477 4.660 -0.006 0.000 0.304 359 W C 3.002 179.521 176.519 0.002 0.000 1.212 359 W CA 1.733 59.082 57.345 0.005 0.000 1.264 359 W CB -1.857 27.612 29.460 0.015 0.000 1.142 359 W HN 0.567 nan 8.180 nan 0.000 0.512 360 S N -1.134 114.697 115.700 0.218 0.000 2.503 360 S HA 0.297 4.757 4.470 -0.018 0.000 0.217 360 S C 1.788 176.431 174.600 0.071 0.000 0.999 360 S CA 0.921 59.197 58.200 0.127 0.000 0.914 360 S CB -0.011 63.253 63.200 0.107 0.000 0.782 360 S HN 0.457 nan 8.310 nan 0.000 0.520 361 G N 1.160 109.987 108.800 0.044 0.000 2.184 361 G HA2 -0.239 3.710 3.960 -0.018 0.000 0.264 361 G HA3 -0.239 3.710 3.960 -0.018 0.000 0.264 361 G C 0.023 174.924 174.900 0.002 0.000 0.975 361 G CA 0.363 45.473 45.100 0.015 0.000 0.642 361 G HN 0.608 nan 8.290 nan 0.000 0.536 362 I N 1.311 121.883 120.570 0.004 0.000 2.371 362 I HA 0.266 4.425 4.170 -0.018 0.000 0.290 362 I C -0.379 175.731 176.117 -0.011 0.000 1.028 362 I CA -0.718 60.592 61.300 0.016 0.000 1.345 362 I CB 0.934 38.959 38.000 0.042 0.000 1.407 362 I HN -0.037 nan 8.210 nan 0.000 0.501 363 N N 6.432 125.143 118.700 0.018 0.000 2.417 363 N HA 0.303 5.033 4.740 -0.018 0.000 0.274 363 N C -1.325 174.255 175.510 0.115 0.000 0.987 363 N CA -0.426 52.633 53.050 0.015 0.000 0.912 363 N CB 1.701 40.181 38.487 -0.011 0.000 1.177 363 N HN 0.451 nan 8.380 nan 0.000 0.490 364 Y N 1.096 121.382 120.300 -0.023 0.000 2.361 364 Y HA 0.476 5.017 4.550 -0.015 0.000 0.337 364 Y C -0.948 174.960 175.900 0.014 0.000 0.965 364 Y CA -0.326 57.779 58.100 0.008 0.000 1.091 364 Y CB 1.573 40.054 38.460 0.034 0.000 1.182 364 Y HN 0.317 nan 8.280 nan 0.000 0.450 365 T N 6.901 121.313 114.554 -0.237 0.000 2.971 365 T HA 0.570 4.910 4.350 -0.018 0.000 0.304 365 T C -1.202 173.287 174.700 -0.351 0.000 1.038 365 T CA -0.973 61.018 62.100 -0.182 0.000 1.007 365 T CB 1.100 69.918 68.868 -0.083 0.000 1.055 365 T HN 0.405 nan 8.240 nan 0.000 0.451 366 R N 1.605 121.962 120.500 -0.237 0.000 2.750 366 R HA 0.606 4.936 4.340 -0.018 0.000 0.281 366 R C -0.529 175.744 176.300 -0.046 0.000 0.972 366 R CA -1.068 54.922 56.100 -0.183 0.000 0.912 366 R CB 2.323 32.519 30.300 -0.174 0.000 1.187 366 R HN 0.491 nan 8.270 nan 0.000 0.464 367 R N 1.053 121.543 120.500 -0.017 0.000 2.457 367 R HA 0.301 4.631 4.340 -0.018 0.000 0.284 367 R C -0.143 176.216 176.300 0.099 0.000 1.024 367 R CA -0.333 55.789 56.100 0.036 0.000 1.025 367 R CB 0.598 30.918 30.300 0.033 0.000 1.063 367 R HN 0.454 nan 8.270 nan 0.000 0.493 368 N N 0.957 119.751 118.700 0.157 0.000 2.477 368 N HA 0.533 5.262 4.740 -0.018 0.000 0.284 368 N C -1.351 174.367 175.510 0.346 0.000 1.182 368 N CA -0.618 52.595 53.050 0.271 0.000 0.949 368 N CB 1.010 39.705 38.487 0.346 0.000 1.204 368 N HN 0.661 nan 8.380 nan 0.000 0.526 369 R N -0.898 119.863 120.500 0.435 0.000 2.690 369 R HA 0.561 4.890 4.340 -0.018 0.000 0.269 369 R C -1.257 175.296 176.300 0.421 0.000 1.037 369 R CA -1.035 55.328 56.100 0.438 0.000 0.877 369 R CB 1.310 31.860 30.300 0.417 0.000 1.255 369 R HN 0.651 nan 8.270 nan 0.000 0.467 370 R N 1.365 121.904 120.500 0.065 0.000 2.673 370 R HA 0.540 4.870 4.340 -0.018 0.000 0.281 370 R C -1.179 174.648 176.300 -0.787 0.000 0.991 370 R CA -1.143 54.690 56.100 -0.445 0.000 0.896 370 R CB 1.810 31.453 30.300 -1.097 0.000 1.201 370 R HN 0.569 nan 8.270 nan 0.000 0.457 371 M N 2.707 121.496 119.600 -1.351 0.000 2.180 371 M HA 0.292 4.761 4.480 -0.018 0.000 0.358 371 M C -1.444 174.353 176.300 -0.839 0.000 1.233 371 M CA -0.471 53.982 55.300 -1.412 0.000 1.114 371 M CB 1.515 33.090 32.600 -1.709 0.000 1.594 371 M HN 0.532 nan 8.290 nan 0.000 0.467 372 V N 7.121 126.592 119.914 -0.739 0.000 2.495 372 V HA 0.572 4.681 4.120 -0.018 0.000 0.298 372 V C -0.524 175.333 176.094 -0.395 0.000 1.031 372 V CA -0.600 61.415 62.300 -0.475 0.000 0.871 372 V CB 1.717 33.232 31.823 -0.513 0.000 0.988 372 V HN 0.789 nan 8.190 nan 0.000 0.432 373 I N 4.507 124.938 120.570 -0.232 0.000 2.468 373 I HA 0.614 4.773 4.170 -0.018 0.000 0.284 373 I C -0.139 175.973 176.117 -0.009 0.000 1.038 373 I CA 0.023 61.252 61.300 -0.118 0.000 1.083 373 I CB 1.918 39.848 38.000 -0.117 0.000 1.223 373 I HN 0.779 nan 8.210 nan 0.000 0.443 374 S N 5.707 121.409 115.700 0.004 0.000 2.651 374 S HA 0.882 5.341 4.470 -0.018 0.000 0.279 374 S C -0.925 173.767 174.600 0.152 0.000 1.148 374 S CA -0.718 57.428 58.200 -0.091 0.000 0.837 374 S CB 2.608 65.451 63.200 -0.595 0.000 1.138 374 S HN 0.532 nan 8.310 nan 0.000 0.478 375 F N -1.075 118.832 119.950 -0.072 0.000 2.668 375 F HA 0.883 5.399 4.527 -0.018 0.000 0.309 375 F C -2.264 173.641 175.800 0.174 0.000 1.117 375 F CA -1.563 56.509 58.000 0.120 0.000 0.951 375 F CB 0.941 40.068 39.000 0.211 0.000 1.323 375 F HN 0.616 nan 8.300 nan 0.000 0.451 376 F N 1.137 121.143 119.950 0.095 0.000 2.540 376 F HA 0.699 5.216 4.527 -0.018 0.000 0.317 376 F C -0.170 175.768 175.800 0.230 0.000 1.104 376 F CA -0.405 57.617 58.000 0.036 0.000 0.913 376 F CB 2.325 41.364 39.000 0.064 0.000 1.170 376 F HN 0.867 nan 8.300 nan 0.000 0.450 377 T N 2.115 116.937 114.554 0.446 0.000 2.916 377 T HA 0.690 5.029 4.350 -0.018 0.000 0.292 377 T C -1.197 173.751 174.700 0.414 0.000 1.055 377 T CA -0.319 62.089 62.100 0.513 0.000 1.009 377 T CB 1.365 70.608 68.868 0.625 0.000 1.118 377 T HN 0.575 nan 8.240 nan 0.000 0.497 378 T N 3.654 118.404 114.554 0.328 0.000 2.881 378 T HA 0.593 4.933 4.350 -0.018 0.000 0.291 378 T C -0.732 173.994 174.700 0.042 0.000 0.990 378 T CA -0.441 61.748 62.100 0.148 0.000 0.976 378 T CB 0.418 69.343 68.868 0.094 0.000 0.970 378 T HN 0.495 nan 8.240 nan 0.000 0.438 379 I N 3.265 123.801 120.570 -0.057 0.000 2.493 379 I HA 0.491 4.651 4.170 -0.018 0.000 0.279 379 I C 1.026 176.959 176.117 -0.307 0.000 1.045 379 I CA -0.413 60.734 61.300 -0.256 0.000 1.106 379 I CB 0.939 38.865 38.000 -0.122 0.000 1.216 379 I HN 0.938 nan 8.210 nan 0.000 0.459 380 G N 6.448 115.043 108.800 -0.341 0.000 2.543 380 G HA2 -0.290 3.659 3.960 -0.018 0.000 0.286 380 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.286 380 G C 0.100 174.859 174.900 -0.236 0.000 1.153 380 G CA 0.333 45.307 45.100 -0.211 0.000 0.968 380 G HN 0.727 nan 8.290 nan 0.000 0.544 384 Y N 0.413 120.746 120.300 0.055 0.000 2.409 384 Y HA 0.727 5.266 4.550 -0.018 0.000 0.343 384 Y C 0.816 176.057 175.900 -1.099 0.000 0.973 384 Y CA -1.080 56.790 58.100 -0.384 0.000 1.064 384 Y CB 2.431 40.739 38.460 -0.253 0.000 1.207 384 Y HN 0.428 nan 8.280 nan 0.000 0.452 385 G N 2.210 110.147 108.800 -1.437 0.000 2.379 385 G HA2 0.607 4.557 3.960 -0.018 0.000 0.327 385 G HA3 0.607 4.557 3.960 -0.018 0.000 0.327 385 G C -1.719 172.577 174.900 -1.007 0.000 1.145 385 G CA -0.476 43.647 45.100 -1.628 0.000 0.905 385 G HN 0.361 nan 8.290 nan 0.000 0.466 386 F N 1.348 120.784 119.950 -0.858 0.000 2.427 386 F HA 0.479 4.996 4.527 -0.018 0.000 0.348 386 F C -0.789 174.607 175.800 -0.674 0.000 1.125 386 F CA -0.731 56.960 58.000 -0.515 0.000 0.989 386 F CB 1.916 40.755 39.000 -0.269 0.000 1.165 386 F HN 0.304 nan 8.300 nan 0.000 0.442 387 Y N 1.356 121.226 120.300 -0.717 0.000 2.391 387 Y HA 0.453 4.992 4.550 -0.018 0.000 0.341 387 Y C -1.088 174.097 175.900 -1.191 0.000 0.965 387 Y CA -1.547 56.075 58.100 -0.797 0.000 1.067 387 Y CB 1.463 39.391 38.460 -0.888 0.000 1.199 387 Y HN 0.521 nan 8.280 nan 0.000 0.450 388 W N 3.272 124.216 121.300 -0.593 0.000 2.632 388 W HA 0.628 5.277 4.660 -0.018 0.000 0.328 388 W C -1.455 174.625 176.519 -0.732 0.000 1.044 388 W CA -0.730 56.298 57.345 -0.529 0.000 1.225 388 W CB 1.257 30.583 29.460 -0.224 0.000 1.396 388 W HN 0.318 nan 8.180 nan 0.000 0.499 389 Y N 2.821 123.021 120.300 -0.167 0.000 2.462 389 Y HA 0.663 5.203 4.550 -0.018 0.000 0.346 389 Y C -0.342 175.240 175.900 -0.529 0.000 0.976 389 Y CA -1.668 56.134 58.100 -0.496 0.000 1.044 389 Y CB 1.249 39.301 38.460 -0.681 0.000 1.230 389 Y HN 0.063 nan 8.280 nan 0.000 0.455 390 L N 3.918 124.782 121.223 -0.598 0.000 2.356 390 L HA 0.525 4.855 4.340 -0.018 0.000 0.277 390 L C -1.247 175.402 176.870 -0.369 0.000 0.996 390 L CA -0.841 53.589 54.840 -0.684 0.000 0.822 390 L CB 1.392 42.725 42.059 -1.210 0.000 1.256 390 L HN 0.603 nan 8.230 nan 0.000 0.413 391 Y N 1.824 122.276 120.300 0.255 0.000 2.453 391 Y HA 0.321 4.861 4.550 -0.017 0.000 0.326 391 Y C 1.201 177.565 175.900 0.774 0.000 1.186 391 Y CA -0.716 57.649 58.100 0.441 0.000 1.200 391 Y CB 1.415 40.027 38.460 0.254 0.000 1.247 391 Y HN 0.438 nan 8.280 nan 0.000 0.482 392 L N 0.668 122.332 121.223 0.734 0.000 2.079 392 L HA -0.217 4.112 4.340 -0.018 0.000 0.210 392 L C 1.741 178.859 176.870 0.414 0.000 1.081 392 L CA 1.798 56.919 54.840 0.468 0.000 0.752 392 L CB -0.333 41.885 42.059 0.265 0.000 0.896 392 L HN 0.773 nan 8.230 nan 0.000 0.433 393 D N -0.417 120.206 120.400 0.372 0.000 2.352 393 D HA -0.028 4.601 4.640 -0.018 0.000 0.232 393 D C 1.401 177.812 176.300 0.184 0.000 1.055 393 D CA 0.919 55.030 54.000 0.186 0.000 0.891 393 D CB 0.251 41.131 40.800 0.134 0.000 0.897 393 D HN 0.375 nan 8.370 nan 0.000 0.529 394 G N -0.498 108.592 108.800 0.484 0.000 2.176 394 G HA2 -0.243 3.706 3.960 -0.018 0.000 0.232 394 G HA3 -0.243 3.706 3.960 -0.018 0.000 0.232 394 G C 0.405 175.808 174.900 0.838 0.000 0.986 394 G CA 0.217 45.645 45.100 0.548 0.000 0.643 394 G HN 0.457 nan 8.290 nan 0.000 0.522 395 T N 1.180 116.139 114.554 0.675 0.000 2.919 395 T HA 0.566 4.906 4.350 -0.018 0.000 0.302 395 T C 0.487 175.565 174.700 0.630 0.000 1.031 395 T CA 0.469 62.903 62.100 0.556 0.000 1.127 395 T CB 1.252 70.267 68.868 0.244 0.000 0.952 395 T HN 0.337 nan 8.240 nan 0.000 0.540 396 I N 2.484 123.343 120.570 0.481 0.000 2.465 396 I HA 0.489 4.649 4.170 -0.018 0.000 0.291 396 I C 0.074 176.352 176.117 0.268 0.000 1.014 396 I CA -0.596 60.879 61.300 0.291 0.000 1.093 396 I CB 1.936 40.072 38.000 0.227 0.000 1.267 396 I HN 0.597 nan 8.210 nan 0.000 0.431 397 E N 5.482 125.796 120.200 0.190 0.000 2.383 397 E HA 0.501 4.840 4.350 -0.018 0.000 0.275 397 E C -2.020 174.408 176.600 -0.287 0.000 0.918 397 E CA -0.653 55.753 56.400 0.010 0.000 0.764 397 E CB 2.756 32.604 29.700 0.246 0.000 1.252 397 E HN 0.408 nan 8.360 nan 0.000 0.449 398 F N 2.209 121.595 119.950 -0.941 0.000 2.532 398 F HA 0.521 5.038 4.527 -0.018 0.000 0.321 398 F C -1.225 174.025 175.800 -0.916 0.000 1.089 398 F CA -0.519 56.706 58.000 -1.290 0.000 0.926 398 F CB 1.835 39.698 39.000 -1.896 0.000 1.168 398 F HN 0.499 nan 8.300 nan 0.000 0.459 399 E N 4.204 123.213 120.200 -1.985 0.000 2.278 399 E HA 0.690 5.029 4.350 -0.018 0.000 0.272 399 E C -1.910 173.807 176.600 -1.470 0.000 0.890 399 E CA -0.940 54.695 56.400 -1.275 0.000 0.770 399 E CB 1.757 31.127 29.700 -0.549 0.000 1.212 399 E HN 0.876 nan 8.360 nan 0.000 0.415 400 A N 4.468 126.682 122.820 -1.009 0.000 2.305 400 A HA 0.571 4.880 4.320 -0.018 0.000 0.322 400 A C -0.800 176.502 177.584 -0.470 0.000 1.187 400 A CA -0.692 50.862 52.037 -0.806 0.000 0.825 400 A CB 0.829 19.222 19.000 -1.011 0.000 1.164 400 A HN 0.560 nan 8.150 nan 0.000 0.498 401 K N 1.666 121.835 120.400 -0.385 0.000 2.394 401 K HA 0.560 4.869 4.320 -0.018 0.000 0.260 401 K C -0.666 175.863 176.600 -0.118 0.000 0.967 401 K CA -0.308 55.856 56.287 -0.206 0.000 0.855 401 K CB 2.118 34.541 32.500 -0.127 0.000 1.101 401 K HN 0.733 nan 8.250 nan 0.000 0.433 402 A N 2.583 125.374 122.820 -0.048 0.000 2.260 402 A HA 0.516 4.825 4.320 -0.018 0.000 0.308 402 A C -0.042 177.507 177.584 -0.059 0.000 1.254 402 A CA -0.171 51.851 52.037 -0.025 0.000 0.874 402 A CB 1.124 20.057 19.000 -0.113 0.000 1.153 402 A HN 0.678 nan 8.150 nan 0.000 0.527 403 T N 0.961 115.474 114.554 -0.069 0.000 2.590 403 T HA 0.821 5.161 4.350 -0.018 0.000 0.282 403 T C 0.373 174.998 174.700 -0.124 0.000 0.989 403 T CA 1.006 63.076 62.100 -0.050 0.000 1.091 403 T CB 0.799 69.676 68.868 0.015 0.000 1.460 403 T HN 2.599 nan 8.240 nan 0.000 0.499 404 G N -0.165 108.549 108.800 -0.142 0.000 2.416 404 G HA2 0.053 4.002 3.960 -0.018 0.000 0.203 404 G HA3 0.053 4.002 3.960 -0.018 0.000 0.203 404 G C -1.271 173.498 174.900 -0.218 0.000 1.227 404 G CA -0.206 44.771 45.100 -0.204 0.000 1.041 404 G HN 1.279 nan 8.290 nan 0.000 0.546 405 V N 1.203 120.950 119.914 -0.279 0.000 2.555 405 V HA 0.633 4.742 4.120 -0.018 0.000 0.302 405 V C 1.119 177.119 176.094 -0.157 0.000 1.038 405 V CA -0.114 62.040 62.300 -0.243 0.000 0.887 405 V CB 1.214 32.807 31.823 -0.384 0.000 0.991 405 V HN 1.688 nan 8.190 nan 0.000 0.434 406 V N 2.157 122.136 119.914 0.110 0.000 2.843 406 V HA 0.377 4.487 4.120 -0.018 0.000 0.305 406 V C -0.161 176.018 176.094 0.141 0.000 1.065 406 V CA -0.283 62.129 62.300 0.187 0.000 1.116 406 V CB 0.338 32.335 31.823 0.290 0.000 0.968 406 V HN 0.614 nan 8.190 nan 0.000 0.487 407 F N 4.368 124.344 119.950 0.043 0.000 2.467 407 F HA 0.512 5.028 4.527 -0.018 0.000 0.362 407 F C 0.999 176.914 175.800 0.191 0.000 1.090 407 F CA 0.413 58.463 58.000 0.084 0.000 1.202 407 F CB 0.789 39.814 39.000 0.041 0.000 1.113 407 F HN 0.997 nan 8.300 nan 0.000 0.541 408 T N 1.656 116.238 114.554 0.046 0.000 2.948 408 T HA 0.833 5.173 4.350 -0.018 0.000 0.285 408 T C -0.210 174.568 174.700 0.130 0.000 1.019 408 T CA -0.295 61.880 62.100 0.126 0.000 1.013 408 T CB 1.634 70.549 68.868 0.078 0.000 1.117 408 T HN 0.701 nan 8.240 nan 0.000 0.533 409 S N -0.565 115.157 115.700 0.037 0.000 2.752 409 S HA 0.782 5.242 4.470 -0.018 0.000 0.284 409 S C -0.633 173.910 174.600 -0.096 0.000 1.189 409 S CA -0.829 57.335 58.200 -0.059 0.000 0.835 409 S CB 0.774 63.943 63.200 -0.051 0.000 1.192 409 S HN 1.389 nan 8.310 nan 0.000 0.506 410 A N 0.418 123.118 122.820 -0.202 0.000 2.302 410 A HA 0.703 5.013 4.320 -0.018 0.000 0.285 410 A C -0.823 176.753 177.584 -0.013 0.000 1.105 410 A CA -0.433 51.537 52.037 -0.112 0.000 0.816 410 A CB -0.105 18.778 19.000 -0.194 0.000 1.067 410 A HN 0.963 nan 8.150 nan 0.000 0.489 411 F N 2.842 122.762 119.950 -0.049 0.000 2.391 411 F HA 0.515 5.031 4.527 -0.018 0.000 0.359 411 F C -2.131 173.695 175.800 0.043 0.000 1.122 411 F CA -2.563 55.420 58.000 -0.027 0.000 1.120 411 F CB 0.868 39.848 39.000 -0.032 0.000 1.142 411 F HN 0.309 nan 8.300 nan 0.000 0.483 412 P HA -0.030 nan 4.420 nan 0.000 0.265 412 P C 0.651 177.769 177.300 -0.303 0.000 1.187 412 P CA 0.321 63.256 63.100 -0.274 0.000 0.766 412 P CB 0.631 32.151 31.700 -0.299 0.000 0.820 413 E N 2.682 122.826 120.200 -0.093 0.000 2.049 413 E HA -0.186 4.153 4.350 -0.018 0.000 0.198 413 E C 1.630 178.196 176.600 -0.057 0.000 1.007 413 E CA 1.707 58.082 56.400 -0.040 0.000 0.809 413 E CB -0.695 28.989 29.700 -0.026 0.000 0.749 413 E HN 0.652 nan 8.360 nan 0.000 0.450 414 G N -0.199 108.549 108.800 -0.087 0.000 3.332 414 G HA2 0.369 4.318 3.960 -0.018 0.000 0.242 414 G HA3 0.369 4.318 3.960 -0.018 0.000 0.242 414 G C 0.429 175.276 174.900 -0.089 0.000 1.276 414 G CA 0.258 45.322 45.100 -0.061 0.000 0.988 414 G HN 0.615 nan 8.290 nan 0.000 0.517 415 G N -1.113 107.564 108.800 -0.205 0.000 2.796 415 G HA2 0.184 4.134 3.960 -0.018 0.000 0.571 415 G HA3 0.184 4.134 3.960 -0.018 0.000 0.571 415 G C -0.327 174.372 174.900 -0.335 0.000 1.370 415 G CA -0.051 44.920 45.100 -0.216 0.000 0.856 415 G HN 1.275 nan 8.290 nan 0.000 0.538 416 S N -1.227 114.368 115.700 -0.177 0.000 2.537 416 S HA 0.600 5.060 4.470 -0.018 0.000 0.270 416 S C -0.064 174.519 174.600 -0.028 0.000 1.142 416 S CA 0.276 58.383 58.200 -0.154 0.000 0.870 416 S CB 1.777 64.814 63.200 -0.272 0.000 1.112 416 S HN 0.581 nan 8.310 nan 0.000 0.466 417 D N 2.435 122.812 120.400 -0.038 0.000 2.349 417 D HA 0.179 4.809 4.640 -0.018 0.000 0.215 417 D C 0.371 176.667 176.300 -0.007 0.000 1.016 417 D CA 0.582 54.607 54.000 0.042 0.000 0.870 417 D CB 0.035 40.866 40.800 0.052 0.000 0.917 417 D HN 0.619 nan 8.370 nan 0.000 0.524 418 N N -0.671 117.845 118.700 -0.306 0.000 2.184 418 N HA 0.270 4.999 4.740 -0.018 0.000 0.234 418 N C -0.416 174.331 175.510 -1.273 0.000 1.282 418 N CA -0.026 52.627 53.050 -0.662 0.000 0.877 418 N CB 1.720 40.074 38.487 -0.223 0.000 1.184 418 N HN -0.019 nan 8.380 nan 0.000 0.510 419 I N 0.411 120.377 120.570 -1.006 0.000 2.752 419 I HA 0.334 4.493 4.170 -0.018 0.000 0.295 419 I C -0.735 175.369 176.117 -0.021 0.000 1.219 419 I CA -0.948 60.057 61.300 -0.493 0.000 1.030 419 I CB 2.207 40.136 38.000 -0.118 0.000 1.259 419 I HN -0.040 nan 8.210 nan 0.000 0.423 420 S N 3.790 119.625 115.700 0.226 0.000 2.578 420 S HA 0.526 4.985 4.470 -0.018 0.000 0.301 420 S C -0.742 173.831 174.600 -0.045 0.000 1.091 420 S CA -0.805 57.556 58.200 0.268 0.000 1.032 420 S CB 2.075 65.511 63.200 0.393 0.000 1.064 420 S HN 0.668 nan 8.310 nan 0.000 0.508 421 Q N 0.919 120.402 119.800 -0.529 0.000 2.274 421 Q HA 0.444 4.773 4.340 -0.018 0.000 0.256 421 Q C -0.114 175.675 176.000 -0.352 0.000 0.927 421 Q CA -0.503 54.831 55.803 -0.783 0.000 0.939 421 Q CB 0.744 28.626 28.738 -1.427 0.000 1.201 421 Q HN 0.863 nan 8.270 nan 0.000 0.426 422 L N 2.158 123.199 121.223 -0.302 0.000 2.425 422 L HA 0.497 4.826 4.340 -0.018 0.000 0.215 422 L C 0.453 177.173 176.870 -0.251 0.000 1.065 422 L CA 0.183 54.876 54.840 -0.246 0.000 0.842 422 L CB 0.444 42.258 42.059 -0.409 0.000 1.033 422 L HN 0.633 nan 8.230 nan 0.000 0.474 423 A N -1.123 121.512 122.820 -0.309 0.000 2.588 423 A HA 0.641 4.950 4.320 -0.018 0.000 0.290 423 A C -2.698 174.803 177.584 -0.138 0.000 1.136 423 A CA -1.111 50.817 52.037 -0.181 0.000 0.681 423 A CB 0.407 19.287 19.000 -0.199 0.000 1.282 423 A HN -0.225 nan 8.150 nan 0.000 0.421 424 P HA 0.265 nan 4.420 nan 0.000 0.257 424 P C 0.975 178.280 177.300 0.009 0.000 1.189 424 P CA 2.360 65.452 63.100 -0.013 0.000 0.780 424 P CB 0.232 31.941 31.700 0.016 0.000 0.772 425 G N 2.413 111.246 108.800 0.055 0.000 2.189 425 G HA2 -0.282 3.667 3.960 -0.018 0.000 0.267 425 G HA3 -0.282 3.667 3.960 -0.018 0.000 0.267 425 G C -0.142 174.807 174.900 0.083 0.000 0.975 425 G CA -0.109 45.059 45.100 0.113 0.000 0.644 425 G HN 0.565 nan 8.290 nan 0.000 0.537 426 L N 1.779 122.985 121.223 -0.030 0.000 2.272 426 L HA 0.784 5.114 4.340 -0.018 0.000 0.289 426 L C 0.714 177.518 176.870 -0.110 0.000 1.032 426 L CA 0.171 54.931 54.840 -0.134 0.000 0.810 426 L CB 1.060 42.902 42.059 -0.361 0.000 1.205 426 L HN 0.358 nan 8.230 nan 0.000 0.422 427 G N 3.403 112.205 108.800 0.002 0.000 2.537 427 G HA2 0.770 4.720 3.960 -0.018 0.000 0.323 427 G HA3 0.770 4.720 3.960 -0.018 0.000 0.323 427 G C -1.560 173.362 174.900 0.036 0.000 1.207 427 G CA -0.339 44.824 45.100 0.105 0.000 0.976 427 G HN 0.944 nan 8.290 nan 0.000 0.487 428 A N 1.230 124.112 122.820 0.104 0.000 2.522 428 A HA 0.740 5.049 4.320 -0.018 0.000 0.285 428 A C -2.835 174.884 177.584 0.225 0.000 1.198 428 A CA -1.288 50.846 52.037 0.163 0.000 0.742 428 A CB 1.578 20.668 19.000 0.149 0.000 1.176 428 A HN 0.400 nan 8.150 nan 0.000 0.444 429 P HA 0.186 nan 4.420 nan 0.000 0.266 429 P C -0.345 177.209 177.300 0.422 0.000 1.195 429 P CA 0.230 63.463 63.100 0.221 0.000 0.768 429 P CB 0.171 32.046 31.700 0.291 0.000 0.838 430 F N 3.537 123.569 119.950 0.137 0.000 2.506 430 F HA 0.218 4.734 4.527 -0.017 0.000 0.351 430 F C 1.646 177.327 175.800 -0.198 0.000 1.136 430 F CA 0.498 58.447 58.000 -0.083 0.000 1.298 430 F CB -0.432 38.520 39.000 -0.079 0.000 1.145 430 F HN 0.509 nan 8.300 nan 0.000 0.593 431 H N -0.449 118.419 119.070 -0.336 0.000 2.887 431 H HA 0.494 5.039 4.556 -0.018 0.000 0.290 431 H C -1.825 173.190 175.328 -0.521 0.000 1.429 431 H CA -1.119 54.534 56.048 -0.658 0.000 1.137 431 H CB 1.376 30.292 29.762 -1.410 0.000 1.824 431 H HN 0.579 nan 8.280 nan 0.000 0.520 432 Q N 0.088 119.588 119.800 -0.500 0.000 2.484 432 Q HA 0.395 4.725 4.340 -0.018 0.000 0.285 432 Q C -1.116 174.639 176.000 -0.409 0.000 1.097 432 Q CA -0.962 54.613 55.803 -0.380 0.000 0.802 432 Q CB 3.051 31.613 28.738 -0.293 0.000 1.444 432 Q HN 0.542 nan 8.270 nan 0.000 0.429 433 H N 1.287 120.271 119.070 -0.144 0.000 2.860 433 H HA 0.443 4.989 4.556 -0.018 0.000 0.312 433 H C -0.883 174.213 175.328 -0.386 0.000 0.995 433 H CA -0.244 55.659 56.048 -0.242 0.000 1.311 433 H CB 0.804 30.517 29.762 -0.081 0.000 1.478 433 H HN 0.436 nan 8.280 nan 0.000 0.508 434 I N 4.029 124.338 120.570 -0.435 0.000 2.378 434 I HA 0.253 4.412 4.170 -0.018 0.000 0.291 434 I C -0.554 175.241 176.117 -0.536 0.000 0.992 434 I CA -0.615 60.462 61.300 -0.372 0.000 1.154 434 I CB 1.050 38.897 38.000 -0.255 0.000 1.315 434 I HN 0.207 nan 8.210 nan 0.000 0.448 435 F N 3.058 122.760 119.950 -0.413 0.000 2.483 435 F HA 0.538 5.054 4.527 -0.017 0.000 0.329 435 F C 0.576 176.169 175.800 -0.346 0.000 1.064 435 F CA -0.891 56.825 58.000 -0.473 0.000 0.986 435 F CB 1.766 40.206 39.000 -0.933 0.000 1.218 435 F HN 0.258 nan 8.300 nan 0.000 0.484 436 S N 1.143 116.877 115.700 0.056 0.000 2.707 436 S HA 0.764 5.224 4.470 -0.018 0.000 0.312 436 S C -0.900 173.797 174.600 0.163 0.000 1.116 436 S CA -0.535 57.728 58.200 0.105 0.000 1.078 436 S CB 0.410 63.516 63.200 -0.157 0.000 0.997 436 S HN 0.836 nan 8.310 nan 0.000 0.477 437 A N 4.837 127.814 122.820 0.262 0.000 2.276 437 A HA 0.613 4.923 4.320 -0.018 0.000 0.300 437 A C 0.171 177.784 177.584 0.049 0.000 1.235 437 A CA -0.641 51.512 52.037 0.194 0.000 0.867 437 A CB 0.352 19.445 19.000 0.154 0.000 1.137 437 A HN 0.841 nan 8.150 nan 0.000 0.527 438 R N 3.553 124.015 120.500 -0.064 0.000 2.215 438 R HA 0.530 4.859 4.340 -0.018 0.000 0.336 438 R C -1.587 174.528 176.300 -0.308 0.000 0.996 438 R CA -0.359 55.502 56.100 -0.397 0.000 0.847 438 R CB 0.309 30.242 30.300 -0.610 0.000 1.127 438 R HN 0.718 nan 8.270 nan 0.000 0.465 439 L N 4.483 125.521 121.223 -0.309 0.000 2.301 439 L HA 0.261 4.591 4.340 -0.018 0.000 0.278 439 L C -0.443 176.308 176.870 -0.198 0.000 1.022 439 L CA -0.861 53.872 54.840 -0.178 0.000 0.854 439 L CB 1.465 43.481 42.059 -0.072 0.000 1.226 439 L HN 0.539 nan 8.230 nan 0.000 0.429 440 D N 4.968 125.263 120.400 -0.174 0.000 2.402 440 D HA 0.171 4.800 4.640 -0.018 0.000 0.235 440 D C 0.171 176.458 176.300 -0.021 0.000 1.226 440 D CA -0.279 53.670 54.000 -0.086 0.000 0.918 440 D CB 0.602 41.369 40.800 -0.054 0.000 1.043 440 D HN 0.144 nan 8.370 nan 0.000 0.506 441 M N 2.297 121.900 119.600 0.005 0.000 2.243 441 M HA 0.353 4.822 4.480 -0.018 0.000 0.341 441 M C 0.412 176.737 176.300 0.042 0.000 1.130 441 M CA -0.386 54.921 55.300 0.011 0.000 1.162 441 M CB 0.776 33.394 32.600 0.031 0.000 1.497 441 M HN 0.490 nan 8.290 nan 0.000 0.456 442 A N 3.632 126.414 122.820 -0.063 0.000 3.339 442 A HA 0.375 4.684 4.320 -0.018 0.000 0.219 442 A C -0.320 177.181 177.584 -0.138 0.000 0.974 442 A CA -0.545 51.369 52.037 -0.206 0.000 1.050 442 A CB 0.096 18.812 19.000 -0.473 0.000 1.271 442 A HN 0.612 nan 8.150 nan 0.000 0.565 443 I N 1.680 122.234 120.570 -0.026 0.000 2.691 443 I HA 0.024 4.184 4.170 -0.018 0.000 0.288 443 I C 0.404 176.585 176.117 0.105 0.000 1.143 443 I CA 0.925 62.280 61.300 0.092 0.000 1.364 443 I CB -1.129 36.964 38.000 0.155 0.000 1.435 443 I HN 0.484 nan 8.210 nan 0.000 0.551 444 D N 5.002 125.485 120.400 0.139 0.000 2.837 444 D HA -0.154 4.475 4.640 -0.018 0.000 0.230 444 D C 0.657 176.915 176.300 -0.070 0.000 1.152 444 D CA 1.661 55.669 54.000 0.014 0.000 0.736 444 D CB -0.733 40.027 40.800 -0.066 0.000 1.084 444 D HN 1.128 nan 8.370 nan 0.000 0.429 445 G N -2.148 106.557 108.800 -0.159 0.000 2.384 445 G HA2 -0.099 3.850 3.960 -0.018 0.000 0.668 445 G HA3 -0.099 3.850 3.960 -0.018 0.000 0.668 445 G C 0.273 175.001 174.900 -0.285 0.000 1.280 445 G CA -0.368 44.570 45.100 -0.271 0.000 0.992 445 G HN 0.043 nan 8.290 nan 0.000 0.512 446 F N 0.767 120.710 119.950 -0.012 0.000 2.710 446 F HA 0.209 4.726 4.527 -0.017 0.000 0.298 446 F C 2.306 178.106 175.800 -0.000 0.000 1.137 446 F CA 1.223 59.210 58.000 -0.021 0.000 1.444 446 F CB 0.171 39.142 39.000 -0.048 0.000 1.111 446 F HN 0.294 nan 8.300 nan 0.000 0.580 447 T N 2.775 117.418 114.554 0.149 0.000 2.978 447 T HA 0.154 4.493 4.350 -0.018 0.000 0.278 447 T C -0.072 174.681 174.700 0.089 0.000 0.945 447 T CA -0.106 62.059 62.100 0.108 0.000 1.070 447 T CB -0.533 68.379 68.868 0.073 0.000 0.948 447 T HN -0.004 nan 8.240 nan 0.000 0.617 448 N N 2.751 121.513 118.700 0.103 0.000 2.469 448 N HA 0.704 5.434 4.740 -0.018 0.000 0.286 448 N C -0.197 175.368 175.510 0.093 0.000 1.275 448 N CA -1.027 52.080 53.050 0.094 0.000 0.790 448 N CB 2.091 40.639 38.487 0.101 0.000 1.446 448 N HN 0.600 nan 8.380 nan 0.000 0.501 449 R N -1.726 118.829 120.500 0.092 0.000 2.764 449 R HA 0.799 5.129 4.340 -0.018 0.000 0.270 449 R C -1.736 174.627 176.300 0.104 0.000 1.014 449 R CA -0.890 55.266 56.100 0.092 0.000 0.904 449 R CB 0.774 31.122 30.300 0.079 0.000 1.236 449 R HN 0.176 nan 8.270 nan 0.000 0.466 450 V N 0.836 120.818 119.914 0.113 0.000 2.604 450 V HA 0.444 4.553 4.120 -0.018 0.000 0.305 450 V C -0.618 175.564 176.094 0.146 0.000 1.043 450 V CA -0.749 61.635 62.300 0.140 0.000 0.888 450 V CB 1.797 33.711 31.823 0.152 0.000 0.995 450 V HN 0.764 nan 8.190 nan 0.000 0.429 451 E N 2.058 122.351 120.200 0.155 0.000 2.238 451 E HA 0.454 4.793 4.350 -0.018 0.000 0.267 451 E C -0.975 175.715 176.600 0.150 0.000 0.887 451 E CA -0.677 55.799 56.400 0.127 0.000 0.769 451 E CB 2.810 32.554 29.700 0.073 0.000 1.187 451 E HN 0.752 nan 8.360 nan 0.000 0.416 452 E N 2.577 122.849 120.200 0.120 0.000 2.146 452 E HA 0.082 4.421 4.350 -0.018 0.000 0.282 452 E C -1.022 175.498 176.600 -0.133 0.000 0.989 452 E CA -0.294 56.089 56.400 -0.027 0.000 0.799 452 E CB 0.922 30.672 29.700 0.084 0.000 1.088 452 E HN 0.395 nan 8.360 nan 0.000 0.397 453 E N 4.263 124.309 120.200 -0.256 0.000 2.133 453 E HA 0.181 4.520 4.350 -0.018 0.000 0.274 453 E C -1.247 175.227 176.600 -0.211 0.000 0.930 453 E CA -0.791 55.504 56.400 -0.176 0.000 0.770 453 E CB 0.943 30.561 29.700 -0.138 0.000 1.104 453 E HN 0.427 nan 8.360 nan 0.000 0.403 454 D N 2.541 122.865 120.400 -0.127 0.000 2.342 454 D HA 0.261 4.890 4.640 -0.018 0.000 0.243 454 D C -0.571 175.699 176.300 -0.050 0.000 1.019 454 D CA -0.551 53.386 54.000 -0.105 0.000 0.864 454 D CB 2.160 42.914 40.800 -0.077 0.000 1.315 454 D HN 0.156 nan 8.370 nan 0.000 0.468 455 V N 1.428 121.317 119.914 -0.041 0.000 2.715 455 V HA 0.208 4.318 4.120 -0.018 0.000 0.299 455 V C 0.174 176.275 176.094 0.012 0.000 1.054 455 V CA -0.258 62.042 62.300 0.001 0.000 1.077 455 V CB 1.429 33.230 31.823 -0.036 0.000 0.972 455 V HN 0.261 nan 8.190 nan 0.000 0.484 456 V N 6.177 126.126 119.914 0.058 0.000 2.407 456 V HA 0.430 4.539 4.120 -0.018 0.000 0.291 456 V C 0.254 176.398 176.094 0.083 0.000 1.018 456 V CA -0.790 61.541 62.300 0.050 0.000 0.842 456 V CB 1.450 33.299 31.823 0.043 0.000 0.996 456 V HN 0.807 nan 8.190 nan 0.000 0.426 457 R N 3.420 123.950 120.500 0.050 0.000 2.490 457 R HA 0.532 4.862 4.340 -0.018 0.000 0.278 457 R C -0.488 175.848 176.300 0.059 0.000 1.069 457 R CA -0.403 55.733 56.100 0.060 0.000 1.080 457 R CB 1.021 31.333 30.300 0.019 0.000 1.030 457 R HN 0.670 nan 8.270 nan 0.000 0.491 458 Q N 0.436 120.279 119.800 0.071 0.000 2.365 458 Q HA 0.279 4.608 4.340 -0.018 0.000 0.269 458 Q C -0.828 175.194 176.000 0.038 0.000 1.061 458 Q CA -0.668 55.165 55.803 0.050 0.000 0.816 458 Q CB 2.633 31.402 28.738 0.051 0.000 1.325 458 Q HN 0.474 nan 8.270 nan 0.000 0.446 459 T N 2.157 116.726 114.554 0.025 0.000 2.897 459 T HA 0.231 4.570 4.350 -0.018 0.000 0.294 459 T C 0.064 174.775 174.700 0.018 0.000 1.004 459 T CA -0.327 61.785 62.100 0.019 0.000 1.106 459 T CB 0.456 69.333 68.868 0.014 0.000 0.949 459 T HN 0.474 nan 8.240 nan 0.000 0.520 460 M N 2.993 122.603 119.600 0.017 0.000 2.239 460 M HA 0.452 4.921 4.480 -0.018 0.000 0.348 460 M C 0.524 176.831 176.300 0.010 0.000 1.239 460 M CA 0.869 56.177 55.300 0.015 0.000 1.114 460 M CB -0.419 32.190 32.600 0.014 0.000 1.641 460 M HN 0.917 nan 8.290 nan 0.000 0.453 461 G N 4.345 113.150 108.800 0.008 0.000 2.398 461 G HA2 0.166 4.115 3.960 -0.018 0.000 0.251 461 G HA3 0.166 4.115 3.960 -0.018 0.000 0.251 461 G C -3.349 171.553 174.900 0.004 0.000 1.277 461 G CA -1.098 44.005 45.100 0.006 0.000 0.927 461 G HN 0.422 nan 8.290 nan 0.000 0.477 462 P HA 0.328 nan 4.420 nan 0.000 0.260 462 P C 0.927 178.228 177.300 0.000 0.000 1.185 462 P CA 2.305 65.405 63.100 0.001 0.000 0.763 462 P CB 0.622 32.322 31.700 0.001 0.000 0.776 463 G N 2.975 111.774 108.800 -0.002 0.000 2.179 463 G HA2 -0.274 3.675 3.960 -0.018 0.000 0.260 463 G HA3 -0.274 3.675 3.960 -0.018 0.000 0.260 463 G C 0.490 175.387 174.900 -0.005 0.000 0.977 463 G CA 0.275 45.373 45.100 -0.004 0.000 0.641 463 G HN 0.653 nan 8.290 nan 0.000 0.533 464 N N -0.044 118.656 118.700 -0.001 0.000 2.605 464 N HA 0.331 5.061 4.740 -0.018 0.000 0.265 464 N C 0.946 176.459 175.510 0.005 0.000 1.625 464 N CA 0.409 53.460 53.050 0.002 0.000 0.862 464 N CB 0.405 38.896 38.487 0.007 0.000 1.415 464 N HN 0.155 nan 8.380 nan 0.000 0.513 465 E N 0.083 120.285 120.200 0.003 0.000 2.160 465 E HA -0.040 4.299 4.350 -0.018 0.000 0.195 465 E C 1.139 177.743 176.600 0.007 0.000 0.991 465 E CA 1.276 57.678 56.400 0.004 0.000 0.810 465 E CB 0.120 29.821 29.700 0.002 0.000 0.742 465 E HN 0.399 nan 8.360 nan 0.000 0.466 466 R N -0.676 119.828 120.500 0.008 0.000 2.317 466 R HA 0.158 4.488 4.340 -0.018 0.000 0.208 466 R C 0.739 177.049 176.300 0.017 0.000 0.914 466 R CA 0.485 56.592 56.100 0.011 0.000 1.060 466 R CB 0.338 30.644 30.300 0.010 0.000 1.015 466 R HN 0.220 nan 8.270 nan 0.000 0.498 467 G N 2.412 111.224 108.800 0.019 0.000 2.305 467 G HA2 -0.343 3.606 3.960 -0.018 0.000 0.287 467 G HA3 -0.343 3.606 3.960 -0.018 0.000 0.287 467 G C 0.215 175.140 174.900 0.043 0.000 1.036 467 G CA 0.927 46.044 45.100 0.028 0.000 0.887 467 G HN 0.689 nan 8.290 nan 0.000 0.505 468 N N -1.137 117.590 118.700 0.046 0.000 2.273 468 N HA 0.521 5.251 4.740 -0.018 0.000 0.192 468 N C 1.214 176.785 175.510 0.102 0.000 1.132 468 N CA 0.603 53.697 53.050 0.072 0.000 0.887 468 N CB 0.407 38.923 38.487 0.048 0.000 1.048 468 N HN 0.837 nan 8.380 nan 0.000 0.490 469 A N 0.695 123.547 122.820 0.053 0.000 2.462 469 A HA 0.447 4.757 4.320 -0.018 0.000 0.243 469 A C -0.547 177.110 177.584 0.122 0.000 1.076 469 A CA -0.208 51.836 52.037 0.012 0.000 0.773 469 A CB -0.315 18.674 19.000 -0.017 0.000 1.010 469 A HN 0.495 nan 8.150 nan 0.000 0.493 470 F N 0.238 120.184 119.950 -0.007 0.000 2.631 470 F HA 0.810 5.328 4.527 -0.016 0.000 0.308 470 F C -0.273 175.521 175.800 -0.010 0.000 1.097 470 F CA -0.514 57.481 58.000 -0.009 0.000 0.952 470 F CB 1.028 40.022 39.000 -0.010 0.000 1.307 470 F HN 0.582 nan 8.300 nan 0.000 0.450 471 S N 1.102 116.927 115.700 0.209 0.000 3.132 471 S HA 0.854 5.313 4.470 -0.018 0.000 0.322 471 S C -1.427 173.258 174.600 0.142 0.000 1.124 471 S CA -0.797 57.456 58.200 0.089 0.000 0.906 471 S CB 1.487 64.703 63.200 0.027 0.000 1.349 471 S HN 1.128 nan 8.310 nan 0.000 0.686 472 R N 0.559 121.099 120.500 0.066 0.000 2.710 472 R HA 0.612 4.941 4.340 -0.018 0.000 0.270 472 R C -2.060 174.250 176.300 0.017 0.000 1.021 472 R CA -0.902 55.225 56.100 0.045 0.000 0.889 472 R CB 1.255 31.579 30.300 0.041 0.000 1.243 472 R HN 0.716 nan 8.270 nan 0.000 0.464 473 K N 1.511 121.912 120.400 0.001 0.000 2.469 473 K HA 0.588 4.897 4.320 -0.018 0.000 0.254 473 K C -1.215 175.377 176.600 -0.014 0.000 0.939 473 K CA -1.129 55.156 56.287 -0.003 0.000 0.812 473 K CB 2.780 35.279 32.500 -0.001 0.000 1.301 473 K HN 0.617 nan 8.250 nan 0.000 0.433 474 R N 0.988 121.485 120.500 -0.004 0.000 2.534 474 R HA 0.393 4.723 4.340 -0.018 0.000 0.301 474 R C -1.154 175.154 176.300 0.013 0.000 0.961 474 R CA -0.862 55.237 56.100 -0.002 0.000 0.871 474 R CB 2.556 32.860 30.300 0.006 0.000 1.170 474 R HN 0.660 nan 8.270 nan 0.000 0.446 475 T N 2.395 116.963 114.554 0.023 0.000 2.791 475 T HA 0.244 4.583 4.350 -0.018 0.000 0.288 475 T C -0.070 174.666 174.700 0.060 0.000 0.999 475 T CA -0.599 61.523 62.100 0.038 0.000 0.952 475 T CB 1.487 70.379 68.868 0.039 0.000 0.938 475 T HN 0.138 nan 8.240 nan 0.000 0.444 476 V N 4.978 124.926 119.914 0.056 0.000 2.614 476 V HA 0.250 4.359 4.120 -0.018 0.000 0.291 476 V C 0.316 176.454 176.094 0.074 0.000 1.049 476 V CA -0.542 61.799 62.300 0.068 0.000 1.038 476 V CB 0.596 32.453 31.823 0.057 0.000 0.980 476 V HN 0.714 nan 8.190 nan 0.000 0.481 477 L N 5.181 126.457 121.223 0.089 0.000 2.259 477 L HA 0.284 4.613 4.340 -0.018 0.000 0.288 477 L C 1.458 178.373 176.870 0.075 0.000 1.051 477 L CA -0.173 54.718 54.840 0.085 0.000 0.824 477 L CB 1.045 43.166 42.059 0.102 0.000 1.206 477 L HN 0.925 nan 8.230 nan 0.000 0.429 478 T N -0.614 113.977 114.554 0.062 0.000 2.976 478 T HA 0.161 4.500 4.350 -0.018 0.000 0.257 478 T C 0.961 175.696 174.700 0.058 0.000 1.051 478 T CA 0.121 62.255 62.100 0.057 0.000 1.141 478 T CB 0.306 69.202 68.868 0.046 0.000 0.881 478 T HN 0.311 nan 8.240 nan 0.000 0.461 479 R N 0.786 121.320 120.500 0.056 0.000 2.807 479 R HA 0.488 4.817 4.340 -0.018 0.000 0.276 479 R C 0.716 177.054 176.300 0.064 0.000 0.979 479 R CA -0.687 55.447 56.100 0.057 0.000 0.928 479 R CB 1.216 31.544 30.300 0.045 0.000 1.191 479 R HN 0.237 nan 8.270 nan 0.000 0.471 480 E N 0.540 120.784 120.200 0.075 0.000 2.160 480 E HA -0.189 4.151 4.350 -0.018 0.000 0.195 480 E C 1.297 177.939 176.600 0.071 0.000 0.991 480 E CA 1.963 58.418 56.400 0.091 0.000 0.810 480 E CB 0.150 29.914 29.700 0.107 0.000 0.742 480 E HN 0.642 nan 8.360 nan 0.000 0.466 481 S N 1.028 116.759 115.700 0.052 0.000 2.469 481 S HA -0.183 4.276 4.470 -0.018 0.000 0.238 481 S C 1.542 176.151 174.600 0.014 0.000 0.998 481 S CA 1.328 59.548 58.200 0.033 0.000 0.957 481 S CB -0.275 62.942 63.200 0.028 0.000 0.764 481 S HN 0.468 nan 8.310 nan 0.000 0.514 482 E N 0.081 120.294 120.200 0.021 0.000 2.603 482 E HA 0.534 4.874 4.350 -0.018 0.000 0.211 482 E C 0.850 177.457 176.600 0.011 0.000 0.995 482 E CA 0.180 56.587 56.400 0.012 0.000 0.990 482 E CB 0.404 30.119 29.700 0.026 0.000 1.036 482 E HN 0.479 nan 8.360 nan 0.000 0.475 483 A N 0.986 123.812 122.820 0.010 0.000 2.460 483 A HA 0.304 4.614 4.320 -0.018 0.000 0.258 483 A C 0.289 177.820 177.584 -0.089 0.000 1.300 483 A CA -0.225 51.818 52.037 0.010 0.000 0.913 483 A CB 0.265 19.310 19.000 0.075 0.000 1.031 483 A HN 0.113 nan 8.150 nan 0.000 0.512 484 V N 2.853 122.642 119.914 -0.208 0.000 2.304 484 V HA 0.392 4.502 4.120 -0.018 0.000 0.269 484 V C -0.391 175.479 176.094 -0.374 0.000 1.036 484 V CA -0.686 61.294 62.300 -0.532 0.000 0.840 484 V CB 0.429 31.820 31.823 -0.721 0.000 1.036 484 V HN 0.448 nan 8.190 nan 0.000 0.466 485 R N 3.516 123.809 120.500 -0.345 0.000 2.787 485 R HA 0.663 4.992 4.340 -0.018 0.000 0.271 485 R C -0.165 176.090 176.300 -0.076 0.000 0.993 485 R CA -0.737 55.295 56.100 -0.114 0.000 0.993 485 R CB 2.137 32.474 30.300 0.063 0.000 1.155 485 R HN 0.897 nan 8.270 nan 0.000 0.486 486 E N 0.350 120.612 120.200 0.103 0.000 2.281 486 E HA 0.722 5.061 4.350 -0.018 0.000 0.262 486 E C -0.826 175.985 176.600 0.353 0.000 0.933 486 E CA -1.125 55.365 56.400 0.150 0.000 0.809 486 E CB 1.669 31.414 29.700 0.074 0.000 1.242 486 E HN 0.534 nan 8.360 nan 0.000 0.418 487 A N 1.165 124.187 122.820 0.337 0.000 2.366 487 A HA 0.272 4.581 4.320 -0.018 0.000 0.249 487 A C -0.305 177.385 177.584 0.177 0.000 1.084 487 A CA -0.104 52.150 52.037 0.362 0.000 0.794 487 A CB 0.373 19.567 19.000 0.324 0.000 1.034 487 A HN 0.697 nan 8.150 nan 0.000 0.491 488 D N 0.228 120.684 120.400 0.093 0.000 2.527 488 D HA 0.418 5.048 4.640 -0.018 0.000 0.242 488 D C 0.723 177.027 176.300 0.006 0.000 1.285 488 D CA 0.285 54.306 54.000 0.035 0.000 0.886 488 D CB 0.690 41.491 40.800 0.001 0.000 1.402 488 D HN 0.473 nan 8.370 nan 0.000 0.528 489 A N 2.848 125.690 122.820 0.038 0.000 1.908 489 A HA -0.179 4.130 4.320 -0.018 0.000 0.218 489 A C 2.080 179.663 177.584 -0.001 0.000 1.181 489 A CA 1.483 53.538 52.037 0.029 0.000 0.627 489 A CB -0.239 18.793 19.000 0.053 0.000 0.818 489 A HN 0.499 nan 8.150 nan 0.000 0.445 490 R N -0.273 120.226 120.500 -0.003 0.000 2.105 490 R HA -0.139 4.191 4.340 -0.018 0.000 0.239 490 R C 1.629 177.907 176.300 -0.036 0.000 1.135 490 R CA 1.972 58.062 56.100 -0.017 0.000 0.967 490 R CB -0.358 29.936 30.300 -0.010 0.000 0.861 490 R HN 0.629 nan 8.270 nan 0.000 0.442 491 T N -3.511 111.019 114.554 -0.040 0.000 3.186 491 T HA 0.247 4.586 4.350 -0.018 0.000 0.257 491 T C 0.881 175.537 174.700 -0.073 0.000 1.029 491 T CA 0.156 62.223 62.100 -0.055 0.000 0.916 491 T CB 0.752 69.590 68.868 -0.050 0.000 1.041 491 T HN 0.366 nan 8.240 nan 0.000 0.562 492 G N 2.395 111.155 108.800 -0.066 0.000 2.321 492 G HA2 -0.354 3.595 3.960 -0.018 0.000 0.287 492 G HA3 -0.354 3.595 3.960 -0.018 0.000 0.287 492 G C 0.076 174.897 174.900 -0.132 0.000 1.018 492 G CA 0.260 45.319 45.100 -0.068 0.000 0.855 492 G HN 0.907 nan 8.290 nan 0.000 0.507 493 R N 0.582 120.965 120.500 -0.194 0.000 2.538 493 R HA 0.409 4.739 4.340 -0.018 0.000 0.282 493 R C 0.886 176.817 176.300 -0.615 0.000 1.009 493 R CA 1.064 56.923 56.100 -0.401 0.000 1.063 493 R CB 0.201 30.246 30.300 -0.425 0.000 0.945 493 R HN 0.485 nan 8.270 nan 0.000 0.414 494 T N 0.712 114.812 114.554 -0.756 0.000 2.804 494 T HA 0.540 4.880 4.350 -0.018 0.000 0.290 494 T C -1.073 173.107 174.700 -0.868 0.000 1.099 494 T CA -0.961 60.708 62.100 -0.718 0.000 1.011 494 T CB 1.261 69.871 68.868 -0.430 0.000 1.291 494 T HN 0.571 nan 8.240 nan 0.000 0.523 495 W N 0.593 121.836 121.300 -0.095 0.000 2.781 495 W HA 0.592 5.242 4.660 -0.017 0.000 0.333 495 W C -1.202 175.293 176.519 -0.039 0.000 1.047 495 W CA -1.147 56.170 57.345 -0.046 0.000 1.236 495 W CB 1.674 31.116 29.460 -0.030 0.000 1.394 495 W HN 0.589 nan 8.180 nan 0.000 0.466 496 I N 4.324 124.987 120.570 0.156 0.000 2.354 496 I HA 0.306 4.466 4.170 -0.018 0.000 0.292 496 I C -0.355 175.850 176.117 0.147 0.000 0.989 496 I CA -0.977 60.394 61.300 0.118 0.000 1.188 496 I CB 1.383 39.422 38.000 0.065 0.000 1.342 496 I HN 0.081 nan 8.210 nan 0.000 0.457 497 I N 6.052 126.716 120.570 0.156 0.000 2.339 497 I HA 0.313 4.473 4.170 -0.018 0.000 0.290 497 I C 0.301 176.507 176.117 0.148 0.000 0.994 497 I CA 0.256 61.643 61.300 0.144 0.000 1.191 497 I CB 1.340 39.419 38.000 0.132 0.000 1.343 497 I HN 0.587 nan 8.210 nan 0.000 0.458 498 S N 4.015 119.789 115.700 0.123 0.000 2.671 498 S HA 0.596 5.055 4.470 -0.018 0.000 0.299 498 S C -0.751 173.906 174.600 0.096 0.000 1.116 498 S CA -0.926 57.345 58.200 0.117 0.000 0.912 498 S CB 1.963 65.217 63.200 0.090 0.000 1.130 498 S HN 0.510 nan 8.310 nan 0.000 0.501 499 N N 1.829 120.576 118.700 0.080 0.000 2.558 499 N HA 0.370 5.099 4.740 -0.018 0.000 0.242 499 N C -1.982 173.548 175.510 0.033 0.000 0.979 499 N CA -2.316 50.766 53.050 0.053 0.000 0.931 499 N CB 1.566 40.075 38.487 0.036 0.000 1.122 499 N HN 0.397 nan 8.380 nan 0.000 0.508 500 P HA -0.062 nan 4.420 nan 0.000 0.228 500 P C 0.021 177.330 177.300 0.014 0.000 1.151 500 P CA 1.142 64.258 63.100 0.027 0.000 0.770 500 P CB 0.517 32.237 31.700 0.034 0.000 0.786 501 E N -1.080 119.126 120.200 0.010 0.000 2.498 501 E HA 0.138 4.477 4.350 -0.018 0.000 0.203 501 E C 0.181 176.770 176.600 -0.017 0.000 1.013 501 E CA -0.080 56.320 56.400 0.000 0.000 0.927 501 E CB 0.471 30.175 29.700 0.007 0.000 1.012 501 E HN -0.013 nan 8.360 nan 0.000 0.482 502 S N 1.131 116.814 115.700 -0.028 0.000 2.707 502 S HA 0.364 4.823 4.470 -0.018 0.000 0.312 502 S C -0.907 173.650 174.600 -0.073 0.000 1.116 502 S CA -0.685 57.478 58.200 -0.062 0.000 1.078 502 S CB 0.451 63.599 63.200 -0.087 0.000 0.997 502 S HN -0.056 nan 8.310 nan 0.000 0.477 503 K N 2.996 123.354 120.400 -0.071 0.000 2.156 503 K HA 0.455 4.765 4.320 -0.018 0.000 0.254 503 K C 0.174 176.720 176.600 -0.091 0.000 0.950 503 K CA -0.927 55.320 56.287 -0.067 0.000 0.849 503 K CB 0.941 33.416 32.500 -0.041 0.000 1.100 503 K HN 0.751 nan 8.250 nan 0.000 0.434 504 N N 0.638 119.286 118.700 -0.087 0.000 2.366 504 N HA 0.024 4.754 4.740 -0.018 0.000 0.277 504 N C 0.652 176.129 175.510 -0.055 0.000 1.275 504 N CA -0.355 52.640 53.050 -0.091 0.000 0.964 504 N CB 0.296 38.735 38.487 -0.079 0.000 1.167 504 N HN 0.583 nan 8.380 nan 0.000 0.568 505 R N -0.723 119.752 120.500 -0.042 0.000 2.293 505 R HA 0.005 4.335 4.340 -0.018 0.000 0.219 505 R C 0.471 176.758 176.300 -0.021 0.000 1.091 505 R CA 1.122 57.206 56.100 -0.028 0.000 1.004 505 R CB -0.710 29.579 30.300 -0.018 0.000 0.865 505 R HN 0.577 nan 8.270 nan 0.000 0.469 506 L N 1.149 122.360 121.223 -0.021 0.000 2.685 506 L HA 0.164 4.494 4.340 -0.018 0.000 0.233 506 L C 0.276 177.136 176.870 -0.017 0.000 1.173 506 L CA -0.120 54.711 54.840 -0.016 0.000 0.961 506 L CB -0.601 41.450 42.059 -0.012 0.000 1.217 506 L HN 0.427 nan 8.230 nan 0.000 0.478 507 N N 1.339 120.026 118.700 -0.021 0.000 2.747 507 N HA -0.160 4.570 4.740 -0.018 0.000 0.249 507 N C -0.319 175.180 175.510 -0.017 0.000 1.107 507 N CA 0.318 53.356 53.050 -0.020 0.000 0.707 507 N CB 0.008 38.486 38.487 -0.015 0.000 1.054 507 N HN 0.373 nan 8.380 nan 0.000 0.555 508 E N 0.279 120.467 120.200 -0.020 0.000 2.195 508 E HA 0.411 4.751 4.350 -0.018 0.000 0.271 508 E C -2.489 174.099 176.600 -0.019 0.000 0.923 508 E CA -1.750 54.642 56.400 -0.014 0.000 0.790 508 E CB 1.527 31.221 29.700 -0.009 0.000 1.155 508 E HN 0.123 nan 8.360 nan 0.000 0.402 509 P HA -0.059 nan 4.420 nan 0.000 0.264 509 P C -0.023 177.277 177.300 -0.000 0.000 1.193 509 P CA -0.085 63.012 63.100 -0.005 0.000 0.763 509 P CB 0.365 32.074 31.700 0.015 0.000 0.810 510 V N 1.892 121.790 119.914 -0.027 0.000 2.999 510 V HA 0.685 4.794 4.120 -0.018 0.000 0.307 510 V C 0.571 176.747 176.094 0.136 0.000 1.084 510 V CA 0.320 62.613 62.300 -0.011 0.000 1.155 510 V CB 0.150 31.842 31.823 -0.218 0.000 0.975 510 V HN 0.737 nan 8.190 nan 0.000 0.490 511 G N 2.196 111.132 108.800 0.226 0.000 2.608 511 G HA2 0.602 4.552 3.960 -0.018 0.000 0.291 511 G HA3 0.602 4.552 3.960 -0.018 0.000 0.291 511 G C -2.299 172.730 174.900 0.217 0.000 1.425 511 G CA -0.749 44.492 45.100 0.235 0.000 0.787 511 G HN 0.765 nan 8.290 nan 0.000 0.484 512 Y N -0.081 120.255 120.300 0.060 0.000 2.457 512 Y HA 0.603 5.143 4.550 -0.017 0.000 0.343 512 Y C 0.102 176.034 175.900 0.054 0.000 0.994 512 Y CA -0.787 57.330 58.100 0.030 0.000 1.031 512 Y CB 2.787 41.236 38.460 -0.019 0.000 1.246 512 Y HN 0.502 nan 8.280 nan 0.000 0.449 513 K N 4.082 124.553 120.400 0.118 0.000 2.235 513 K HA 0.518 4.827 4.320 -0.018 0.000 0.266 513 K C -1.613 175.007 176.600 0.033 0.000 0.980 513 K CA -0.875 55.430 56.287 0.030 0.000 0.849 513 K CB 0.975 33.428 32.500 -0.079 0.000 1.098 513 K HN 0.628 nan 8.250 nan 0.000 0.445 514 L N 5.170 126.412 121.223 0.031 0.000 2.260 514 L HA 0.277 4.606 4.340 -0.018 0.000 0.289 514 L C -1.349 175.499 176.870 -0.036 0.000 1.057 514 L CA 0.107 55.002 54.840 0.093 0.000 0.811 514 L CB 0.365 42.502 42.059 0.130 0.000 1.184 514 L HN 0.649 nan 8.230 nan 0.000 0.429 515 H N 4.597 123.782 119.070 0.193 0.000 2.581 515 H HA 0.699 5.244 4.556 -0.018 0.000 0.308 515 H C -0.005 175.470 175.328 0.245 0.000 1.040 515 H CA 0.003 56.159 56.048 0.181 0.000 1.231 515 H CB 1.225 31.080 29.762 0.155 0.000 1.396 515 H HN 0.881 nan 8.280 nan 0.000 0.467 516 A N 2.241 125.268 122.820 0.346 0.000 2.264 516 A HA 0.215 4.524 4.320 -0.018 0.000 0.304 516 A C 0.386 178.278 177.584 0.512 0.000 1.100 516 A CA -0.570 51.713 52.037 0.410 0.000 0.839 516 A CB 0.520 19.802 19.000 0.470 0.000 1.121 516 A HN 1.013 nan 8.150 nan 0.000 0.496 517 H N 0.639 119.901 119.070 0.321 0.000 2.551 517 H HA 0.002 4.547 4.556 -0.018 0.000 0.266 517 H C -0.125 175.331 175.328 0.212 0.000 0.964 517 H CA 0.249 56.434 56.048 0.229 0.000 1.180 517 H CB 0.185 30.073 29.762 0.209 0.000 1.408 517 H HN 0.753 nan 8.280 nan 0.000 0.563 518 N N 1.929 120.861 118.700 0.387 0.000 2.735 518 N HA -0.169 4.560 4.740 -0.018 0.000 0.248 518 N C -0.556 175.093 175.510 0.231 0.000 1.083 518 N CA 0.559 53.783 53.050 0.289 0.000 0.703 518 N CB -0.978 37.638 38.487 0.215 0.000 1.005 518 N HN 0.544 nan 8.380 nan 0.000 0.550 519 Q N -0.133 119.821 119.800 0.257 0.000 2.382 519 Q HA 0.326 4.656 4.340 -0.018 0.000 0.229 519 Q C -1.883 174.208 176.000 0.151 0.000 1.006 519 Q CA -1.039 54.881 55.803 0.194 0.000 0.916 519 Q CB 0.222 29.090 28.738 0.217 0.000 1.235 519 Q HN 0.116 nan 8.270 nan 0.000 0.512 520 P HA -0.027 nan 4.420 nan 0.000 0.266 520 P C -0.192 177.138 177.300 0.050 0.000 1.195 520 P CA 0.310 63.452 63.100 0.071 0.000 0.768 520 P CB 0.500 32.229 31.700 0.049 0.000 0.838 521 T N 0.460 115.035 114.554 0.036 0.000 2.924 521 T HA 0.302 4.642 4.350 -0.018 0.000 0.301 521 T C 0.294 174.963 174.700 -0.051 0.000 1.120 521 T CA -0.851 61.250 62.100 0.002 0.000 0.940 521 T CB -0.001 68.880 68.868 0.022 0.000 1.591 521 T HN 0.160 nan 8.240 nan 0.000 0.578 522 L N 1.111 122.277 121.223 -0.096 0.000 2.584 522 L HA 0.167 4.496 4.340 -0.018 0.000 0.272 522 L C 0.862 177.683 176.870 -0.081 0.000 1.195 522 L CA 0.241 55.004 54.840 -0.128 0.000 0.920 522 L CB -0.433 41.519 42.059 -0.179 0.000 1.173 522 L HN 0.627 nan 8.230 nan 0.000 0.489 523 L N 4.911 126.085 121.223 -0.081 0.000 2.375 523 L HA 0.207 4.536 4.340 -0.018 0.000 0.215 523 L C 1.417 178.267 176.870 -0.033 0.000 1.108 523 L CA 0.229 55.043 54.840 -0.044 0.000 0.830 523 L CB -0.505 41.531 42.059 -0.038 0.000 0.959 523 L HN 0.831 nan 8.230 nan 0.000 0.457 524 A N 0.750 123.539 122.820 -0.051 0.000 2.555 524 A HA -0.115 4.195 4.320 -0.018 0.000 0.233 524 A C 0.310 177.883 177.584 -0.018 0.000 1.060 524 A CA -0.042 51.976 52.037 -0.032 0.000 0.759 524 A CB -0.089 18.887 19.000 -0.041 0.000 0.995 524 A HN 0.287 nan 8.150 nan 0.000 0.506 525 D N 2.416 122.814 120.400 -0.003 0.000 2.488 525 D HA 0.008 4.637 4.640 -0.018 0.000 0.238 525 D C -1.112 175.184 176.300 -0.006 0.000 1.138 525 D CA -0.795 53.205 54.000 0.001 0.000 0.873 525 D CB 0.848 41.653 40.800 0.010 0.000 1.183 525 D HN 0.294 nan 8.370 nan 0.000 0.458 526 P HA -0.096 nan 4.420 nan 0.000 0.221 526 P C 0.990 178.283 177.300 -0.012 0.000 1.145 526 P CA 0.825 63.919 63.100 -0.011 0.000 0.795 526 P CB 0.108 31.803 31.700 -0.008 0.000 0.775 527 G N -0.135 108.661 108.800 -0.007 0.000 3.141 527 G HA2 0.055 4.005 3.960 -0.018 0.000 0.218 527 G HA3 0.055 4.005 3.960 -0.018 0.000 0.218 527 G C 0.589 175.486 174.900 -0.005 0.000 1.170 527 G CA 0.076 45.171 45.100 -0.008 0.000 0.769 527 G HN 0.437 nan 8.290 nan 0.000 0.546 528 S N -0.753 114.948 115.700 0.001 0.000 2.632 528 S HA 0.365 4.824 4.470 -0.018 0.000 0.267 528 S C 1.585 176.181 174.600 -0.007 0.000 1.276 528 S CA 0.423 58.635 58.200 0.019 0.000 0.998 528 S CB 1.712 64.934 63.200 0.035 0.000 0.953 528 S HN 0.080 nan 8.310 nan 0.000 0.547 529 S N 0.643 116.341 115.700 -0.003 0.000 2.359 529 S HA -0.157 4.302 4.470 -0.018 0.000 0.224 529 S C 1.715 176.274 174.600 -0.068 0.000 1.035 529 S CA 1.321 59.453 58.200 -0.114 0.000 1.018 529 S CB -0.845 62.150 63.200 -0.342 0.000 0.876 529 S HN 0.710 nan 8.310 nan 0.000 0.448 530 I N 2.071 122.648 120.570 0.011 0.000 2.286 530 I HA -0.021 4.138 4.170 -0.018 0.000 0.248 530 I C 2.360 178.469 176.117 -0.014 0.000 1.115 530 I CA 1.269 62.587 61.300 0.030 0.000 1.392 530 I CB -0.985 37.028 38.000 0.021 0.000 1.065 530 I HN 0.351 nan 8.210 nan 0.000 0.418 531 A N 0.002 122.803 122.820 -0.033 0.000 1.933 531 A HA -0.206 4.103 4.320 -0.018 0.000 0.218 531 A C 2.331 179.886 177.584 -0.048 0.000 1.175 531 A CA 1.695 53.702 52.037 -0.051 0.000 0.628 531 A CB -0.499 18.479 19.000 -0.037 0.000 0.814 531 A HN 0.366 nan 8.150 nan 0.000 0.444 532 R N -0.435 120.035 120.500 -0.051 0.000 2.075 532 R HA 0.083 4.412 4.340 -0.018 0.000 0.226 532 R C 2.285 178.540 176.300 -0.076 0.000 1.114 532 R CA 1.462 57.520 56.100 -0.069 0.000 0.972 532 R CB -0.386 29.858 30.300 -0.093 0.000 0.869 532 R HN 0.543 nan 8.270 nan 0.000 0.437 533 R N -0.339 120.129 120.500 -0.053 0.000 2.115 533 R HA 0.103 4.432 4.340 -0.018 0.000 0.230 533 R C 0.613 176.987 176.300 0.123 0.000 1.111 533 R CA 1.287 57.369 56.100 -0.030 0.000 0.976 533 R CB 0.087 30.387 30.300 -0.001 0.000 0.870 533 R HN 0.090 nan 8.270 nan 0.000 0.445 534 A N 0.192 123.092 122.820 0.133 0.000 3.041 534 A HA 0.501 4.810 4.320 -0.018 0.000 0.307 534 A C 1.213 178.649 177.584 -0.246 0.000 1.116 534 A CA -0.020 52.046 52.037 0.047 0.000 1.001 534 A CB 0.257 19.198 19.000 -0.098 0.000 1.112 534 A HN 0.244 nan 8.150 nan 0.000 0.556 535 A N 0.428 123.195 122.820 -0.087 0.000 1.948 535 A HA -0.100 4.209 4.320 -0.018 0.000 0.220 535 A C 1.819 179.392 177.584 -0.019 0.000 1.177 535 A CA 1.913 53.920 52.037 -0.051 0.000 0.636 535 A CB -0.983 18.005 19.000 -0.019 0.000 0.815 535 A HN 1.380 nan 8.150 nan 0.000 0.449 536 F N -0.164 119.669 119.950 -0.195 0.000 2.202 536 F HA 0.001 4.517 4.527 -0.018 0.000 0.301 536 F C 2.047 177.921 175.800 0.123 0.000 1.082 536 F CA 0.893 58.703 58.000 -0.317 0.000 1.313 536 F CB -0.922 37.753 39.000 -0.541 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.495 537 A N 0.448 122.645 122.820 -1.039 0.000 2.209 537 A HA -0.008 4.301 4.320 -0.018 0.000 0.212 537 A C 2.079 179.535 177.584 -0.213 0.000 1.158 537 A CA 1.291 52.910 52.037 -0.697 0.000 0.742 537 A CB -1.482 16.933 19.000 -0.975 0.000 0.790 537 A HN 0.586 nan 8.150 nan 0.000 0.472 538 T N -3.658 110.858 114.554 -0.064 0.000 3.100 538 T HA 0.203 4.543 4.350 -0.018 0.000 0.253 538 T C 0.576 175.304 174.700 0.045 0.000 1.118 538 T CA 0.200 62.300 62.100 0.000 0.000 1.058 538 T CB 0.119 68.997 68.868 0.018 0.000 0.953 538 T HN 0.088 nan 8.240 nan 0.000 0.515 539 K N 1.002 121.482 120.400 0.133 0.000 2.469 539 K HA 0.408 4.717 4.320 -0.018 0.000 0.254 539 K C -0.508 176.162 176.600 0.116 0.000 0.939 539 K CA -0.536 55.754 56.287 0.006 0.000 0.812 539 K CB 2.111 34.385 32.500 -0.376 0.000 1.301 539 K HN -0.058 nan 8.250 nan 0.000 0.433 540 D N 0.279 120.706 120.400 0.045 0.000 2.194 540 D HA 0.007 4.637 4.640 -0.018 0.000 0.204 540 D C -0.023 176.334 176.300 0.094 0.000 0.964 540 D CA 0.720 54.794 54.000 0.123 0.000 0.846 540 D CB 0.323 41.234 40.800 0.186 0.000 0.962 540 D HN 0.123 nan 8.370 nan 0.000 0.490 541 L N -0.394 120.732 121.223 -0.162 0.000 2.482 541 L HA 0.460 4.790 4.340 -0.018 0.000 0.263 541 L C -2.028 174.727 176.870 -0.193 0.000 0.957 541 L CA -0.629 54.084 54.840 -0.211 0.000 0.836 541 L CB 1.536 43.037 42.059 -0.930 0.000 1.324 541 L HN -0.139 nan 8.230 nan 0.000 0.406 542 W N 4.011 125.306 121.300 -0.009 0.000 2.844 542 W HA 0.784 5.434 4.660 -0.018 0.000 0.340 542 W C -1.204 175.424 176.519 0.181 0.000 1.093 542 W CA -0.838 56.536 57.345 0.049 0.000 1.212 542 W CB 2.023 31.484 29.460 0.001 0.000 1.422 542 W HN 0.174 nan 8.180 nan 0.000 0.515 543 V N 2.419 122.554 119.914 0.370 0.000 2.577 543 V HA 0.723 4.833 4.120 -0.018 0.000 0.303 543 V C -0.119 176.178 176.094 0.338 0.000 1.042 543 V CA -0.818 61.683 62.300 0.334 0.000 0.872 543 V CB 1.475 33.407 31.823 0.182 0.000 0.998 543 V HN 0.594 nan 8.190 nan 0.000 0.423 544 T N 1.524 116.324 114.554 0.411 0.000 2.916 544 T HA 0.764 5.103 4.350 -0.018 0.000 0.292 544 T C -0.504 174.339 174.700 0.238 0.000 1.064 544 T CA -0.967 61.331 62.100 0.330 0.000 1.011 544 T CB 2.167 71.294 68.868 0.432 0.000 1.152 544 T HN 0.522 nan 8.240 nan 0.000 0.510 545 R N 0.830 121.427 120.500 0.161 0.000 2.340 545 R HA 0.361 4.690 4.340 -0.018 0.000 0.300 545 R C -0.829 175.531 176.300 0.100 0.000 1.069 545 R CA -0.937 55.235 56.100 0.121 0.000 0.984 545 R CB -0.469 29.879 30.300 0.080 0.000 1.003 545 R HN 0.778 nan 8.270 nan 0.000 0.459 546 Y N 3.136 123.434 120.300 -0.004 0.000 2.702 546 Y HA 0.278 4.817 4.550 -0.018 0.000 0.336 546 Y C -0.749 175.099 175.900 -0.086 0.000 1.235 546 Y CA 0.975 59.040 58.100 -0.058 0.000 1.492 546 Y CB 0.470 38.859 38.460 -0.118 0.000 1.308 546 Y HN 0.750 nan 8.280 nan 0.000 0.589 547 A N 4.720 126.868 122.820 -1.119 0.000 2.488 547 A HA 0.287 4.596 4.320 -0.018 0.000 0.295 547 A C -0.021 176.908 177.584 -1.091 0.000 1.045 547 A CA -0.316 51.201 52.037 -0.867 0.000 0.703 547 A CB 0.588 19.301 19.000 -0.478 0.000 1.271 547 A HN 0.816 nan 8.150 nan 0.000 0.400 548 D N 1.334 121.287 120.400 -0.745 0.000 2.309 548 D HA -0.150 4.479 4.640 -0.018 0.000 0.212 548 D C 0.478 176.587 176.300 -0.317 0.000 0.968 548 D CA 1.565 55.312 54.000 -0.422 0.000 0.882 548 D CB 0.032 40.761 40.800 -0.120 0.000 0.918 548 D HN 0.532 nan 8.370 nan 0.000 0.503 549 D N -0.236 119.965 120.400 -0.331 0.000 2.388 549 D HA 0.010 4.639 4.640 -0.018 0.000 0.221 549 D C -0.322 175.760 176.300 -0.364 0.000 1.133 549 D CA -0.310 53.531 54.000 -0.266 0.000 0.831 549 D CB -0.614 40.079 40.800 -0.178 0.000 0.962 549 D HN 0.229 nan 8.370 nan 0.000 0.502 550 E N 0.645 120.552 120.200 -0.488 0.000 2.400 550 E HA 0.332 4.672 4.350 -0.018 0.000 0.232 550 E C 0.488 176.945 176.600 -0.237 0.000 0.988 550 E CA -0.263 55.758 56.400 -0.631 0.000 0.823 550 E CB 1.107 30.252 29.700 -0.926 0.000 1.246 550 E HN 0.081 nan 8.360 nan 0.000 0.441 551 R N 0.754 121.081 120.500 -0.288 0.000 2.195 551 R HA 0.121 4.450 4.340 -0.018 0.000 0.197 551 R C -0.112 175.905 176.300 -0.472 0.000 0.990 551 R CA 0.663 56.444 56.100 -0.532 0.000 1.048 551 R CB 0.519 30.172 30.300 -1.078 0.000 0.997 551 R HN 0.256 nan 8.270 nan 0.000 0.502 552 Y N 0.009 120.436 120.300 0.211 0.000 2.446 552 Y HA 0.297 4.837 4.550 -0.018 0.000 0.345 552 Y C -1.788 174.089 175.900 -0.039 0.000 0.984 552 Y CA -3.224 54.947 58.100 0.118 0.000 1.058 552 Y CB 1.244 39.664 38.460 -0.066 0.000 1.220 552 Y HN -0.161 nan 8.280 nan 0.000 0.455 553 P HA -0.089 nan 4.420 nan 0.000 0.230 553 P C 0.654 177.665 177.300 -0.482 0.000 1.158 553 P CA 1.425 64.144 63.100 -0.636 0.000 0.769 553 P CB 0.158 31.358 31.700 -0.833 0.000 0.807 554 T N -4.926 109.464 114.554 -0.274 0.000 3.085 554 T HA 0.510 4.849 4.350 -0.018 0.000 0.264 554 T C 0.899 175.515 174.700 -0.140 0.000 1.019 554 T CA 0.112 62.099 62.100 -0.189 0.000 0.910 554 T CB -0.045 68.723 68.868 -0.167 0.000 1.059 554 T HN 0.331 nan 8.240 nan 0.000 0.542 555 G N 1.417 110.179 108.800 -0.064 0.000 2.757 555 G HA2 -0.161 3.788 3.960 -0.018 0.000 0.638 555 G HA3 -0.161 3.788 3.960 -0.018 0.000 0.638 555 G C -0.238 174.648 174.900 -0.025 0.000 1.344 555 G CA -0.118 44.981 45.100 -0.001 0.000 0.855 555 G HN 0.152 nan 8.290 nan 0.000 0.537 556 D N -0.579 119.697 120.400 -0.207 0.000 2.149 556 D HA 0.114 4.743 4.640 -0.018 0.000 0.201 556 D C 0.894 176.659 176.300 -0.891 0.000 0.972 556 D CA 1.454 55.112 54.000 -0.569 0.000 0.835 556 D CB -0.060 40.095 40.800 -1.076 0.000 0.966 556 D HN 0.242 nan 8.370 nan 0.000 0.476 557 F N -0.059 119.743 119.950 -0.247 0.000 2.430 557 F HA 0.251 4.768 4.527 -0.017 0.000 0.362 557 F C 1.011 176.653 175.800 -0.263 0.000 1.103 557 F CA -0.700 57.111 58.000 -0.315 0.000 1.045 557 F CB 1.447 40.188 39.000 -0.431 0.000 1.276 557 F HN -0.356 nan 8.300 nan 0.000 0.444 558 V N 0.216 120.059 119.914 -0.118 0.000 2.599 558 V HA -0.088 4.021 4.120 -0.018 0.000 0.245 558 V C 1.121 177.116 176.094 -0.166 0.000 1.046 558 V CA 0.368 62.536 62.300 -0.220 0.000 1.065 558 V CB -0.470 31.091 31.823 -0.437 0.000 0.703 558 V HN 0.678 nan 8.190 nan 0.000 0.464 559 N N 1.666 120.310 118.700 -0.093 0.000 2.315 559 N HA -0.093 4.637 4.740 -0.018 0.000 0.270 559 N C 0.524 176.024 175.510 -0.017 0.000 1.329 559 N CA 0.769 53.792 53.050 -0.045 0.000 0.860 559 N CB -0.273 38.203 38.487 -0.018 0.000 1.095 559 N HN 0.473 nan 8.380 nan 0.000 0.487 560 Q N -0.014 119.780 119.800 -0.011 0.000 2.461 560 Q HA -0.310 4.020 4.340 -0.018 0.000 0.273 560 Q C -0.986 175.020 176.000 0.011 0.000 1.163 560 Q CA 0.902 56.699 55.803 -0.009 0.000 0.929 560 Q CB -1.669 27.067 28.738 -0.004 0.000 1.334 560 Q HN 0.678 nan 8.270 nan 0.000 0.499 561 H N -0.028 118.960 119.070 -0.137 0.000 2.481 561 H HA 0.483 5.028 4.556 -0.018 0.000 0.333 561 H C 0.174 175.408 175.328 -0.158 0.000 1.066 561 H CA -0.022 55.944 56.048 -0.136 0.000 1.209 561 H CB 0.915 30.601 29.762 -0.127 0.000 1.445 561 H HN 0.231 nan 8.280 nan 0.000 0.488 562 S N 2.743 118.090 115.700 -0.587 0.000 2.625 562 S HA 0.397 4.856 4.470 -0.018 0.000 0.258 562 S C 0.972 175.190 174.600 -0.636 0.000 1.256 562 S CA -0.354 57.550 58.200 -0.494 0.000 0.983 562 S CB 0.288 63.289 63.200 -0.332 0.000 1.032 562 S HN 0.818 nan 8.310 nan 0.000 0.572 563 G N -1.776 106.801 108.800 -0.372 0.000 2.667 563 G HA2 0.477 4.426 3.960 -0.018 0.000 0.250 563 G HA3 0.477 4.426 3.960 -0.018 0.000 0.250 563 G C 0.827 175.562 174.900 -0.276 0.000 1.212 563 G CA -0.290 44.636 45.100 -0.288 0.000 0.874 563 G HN 1.890 nan 8.290 nan 0.000 0.561 564 G N -1.657 107.034 108.800 -0.183 0.000 2.624 564 G HA2 0.364 4.314 3.960 -0.018 0.000 0.190 564 G HA3 0.364 4.314 3.960 -0.018 0.000 0.190 564 G C 0.350 175.217 174.900 -0.055 0.000 1.008 564 G CA 0.763 45.804 45.100 -0.099 0.000 0.731 564 G HN 1.738 nan 8.290 nan 0.000 0.478 565 A N -0.471 122.311 122.820 -0.064 0.000 2.578 565 A HA 1.079 5.389 4.320 -0.018 0.000 0.255 565 A C 1.420 178.798 177.584 -0.343 0.000 1.251 565 A CA 0.928 52.907 52.037 -0.097 0.000 0.882 565 A CB 0.481 19.516 19.000 0.059 0.000 1.416 565 A HN 2.231 nan 8.150 nan 0.000 0.462 566 G N -1.761 106.710 108.800 -0.549 0.000 2.645 566 G HA2 -0.146 3.803 3.960 -0.018 0.000 0.246 566 G HA3 -0.146 3.803 3.960 -0.018 0.000 0.246 566 G C 0.758 174.729 174.900 -1.548 0.000 1.322 566 G CA 0.116 44.656 45.100 -0.934 0.000 0.898 566 G HN 1.245 nan 8.290 nan 0.000 0.573 567 L N 0.934 121.425 121.223 -1.220 0.000 2.021 567 L HA -0.138 4.191 4.340 -0.018 0.000 0.215 567 L C 0.346 176.843 176.870 -0.623 0.000 1.074 567 L CA 2.692 56.887 54.840 -1.074 0.000 0.760 567 L CB -1.400 39.805 42.059 -1.423 0.000 0.889 567 L HN 0.446 nan 8.230 nan 0.000 0.433 568 P HA -0.162 nan 4.420 nan 0.000 0.218 568 P C 1.799 179.019 177.300 -0.132 0.000 1.148 568 P CA 1.808 64.829 63.100 -0.131 0.000 0.822 568 P CB -0.024 31.619 31.700 -0.096 0.000 0.784 569 S N -2.297 113.245 115.700 -0.264 0.000 2.377 569 S HA -0.159 4.300 4.470 -0.018 0.000 0.223 569 S C 1.899 176.502 174.600 0.006 0.000 1.030 569 S CA 0.757 58.878 58.200 -0.131 0.000 0.970 569 S CB -1.636 61.482 63.200 -0.137 0.000 0.830 569 S HN -0.012 nan 8.310 nan 0.000 0.473 570 Y N 2.388 122.629 120.300 -0.098 0.000 2.097 570 Y HA 0.026 4.566 4.550 -0.018 0.000 0.282 570 Y C 2.578 178.460 175.900 -0.029 0.000 1.152 570 Y CA -0.315 57.734 58.100 -0.085 0.000 1.136 570 Y CB -1.215 37.155 38.460 -0.150 0.000 0.975 570 Y HN 0.198 nan 8.280 nan 0.000 0.498 571 I N 0.194 120.851 120.570 0.144 0.000 2.248 571 I HA -0.303 3.856 4.170 -0.018 0.000 0.248 571 I C 2.484 178.659 176.117 0.097 0.000 1.107 571 I CA 1.511 62.894 61.300 0.139 0.000 1.373 571 I CB -1.654 36.462 38.000 0.193 0.000 1.055 571 I HN 0.166 nan 8.210 nan 0.000 0.418 572 A N 0.149 123.013 122.820 0.073 0.000 2.076 572 A HA -0.231 4.078 4.320 -0.018 0.000 0.220 572 A C 2.156 179.770 177.584 0.050 0.000 1.160 572 A CA 1.239 53.306 52.037 0.051 0.000 0.653 572 A CB -0.605 18.415 19.000 0.034 0.000 0.801 572 A HN 0.552 nan 8.150 nan 0.000 0.455 573 Q N -1.291 118.545 119.800 0.060 0.000 2.364 573 Q HA -0.121 4.208 4.340 -0.018 0.000 0.209 573 Q C 0.161 176.188 176.000 0.045 0.000 0.977 573 Q CA 0.568 56.400 55.803 0.048 0.000 0.885 573 Q CB -0.124 28.642 28.738 0.047 0.000 0.941 573 Q HN 0.618 nan 8.270 nan 0.000 0.464 574 D N 0.718 121.151 120.400 0.055 0.000 2.697 574 D HA -0.174 4.455 4.640 -0.018 0.000 0.235 574 D C -0.939 175.390 176.300 0.049 0.000 1.167 574 D CA 0.599 54.630 54.000 0.052 0.000 0.656 574 D CB -0.563 40.261 40.800 0.040 0.000 1.025 574 D HN 0.221 nan 8.370 nan 0.000 0.419 575 R N 0.417 120.950 120.500 0.056 0.000 2.615 575 R HA 0.322 4.652 4.340 -0.018 0.000 0.270 575 R C 0.252 176.586 176.300 0.057 0.000 1.081 575 R CA -0.576 55.555 56.100 0.051 0.000 1.154 575 R CB 0.411 30.741 30.300 0.049 0.000 1.063 575 R HN 0.175 nan 8.270 nan 0.000 0.519 576 D N 1.857 122.288 120.400 0.051 0.000 2.383 576 D HA 0.033 4.662 4.640 -0.018 0.000 0.252 576 D C 0.474 176.813 176.300 0.065 0.000 1.166 576 D CA -0.046 53.986 54.000 0.053 0.000 0.879 576 D CB 0.561 41.388 40.800 0.045 0.000 1.164 576 D HN 0.545 nan 8.370 nan 0.000 0.462 577 I N -0.178 120.435 120.570 0.072 0.000 4.050 577 I HA 0.346 4.505 4.170 -0.018 0.000 0.327 577 I C 0.133 176.298 176.117 0.081 0.000 1.473 577 I CA -0.527 60.824 61.300 0.085 0.000 1.124 577 I CB 0.461 38.522 38.000 0.101 0.000 1.129 577 I HN 0.077 nan 8.210 nan 0.000 0.428 578 D N 2.913 123.354 120.400 0.069 0.000 2.468 578 D HA 0.376 5.006 4.640 -0.018 0.000 0.218 578 D C 1.055 177.391 176.300 0.061 0.000 1.155 578 D CA 0.466 54.504 54.000 0.064 0.000 0.924 578 D CB 0.450 41.283 40.800 0.054 0.000 1.029 578 D HN 0.541 nan 8.370 nan 0.000 0.515 579 G N 3.239 112.079 108.800 0.068 0.000 2.370 579 G HA2 -0.174 3.775 3.960 -0.018 0.000 0.268 579 G HA3 -0.174 3.775 3.960 -0.018 0.000 0.268 579 G C -0.119 174.823 174.900 0.071 0.000 1.122 579 G CA -0.307 44.832 45.100 0.065 0.000 0.963 579 G HN 0.481 nan 8.290 nan 0.000 0.500 580 Q N -0.776 119.074 119.800 0.084 0.000 2.687 580 Q HA 0.391 4.721 4.340 -0.018 0.000 0.305 580 Q C -1.059 175.007 176.000 0.110 0.000 1.006 580 Q CA -0.919 54.936 55.803 0.086 0.000 0.763 580 Q CB 0.961 29.745 28.738 0.076 0.000 1.506 580 Q HN 0.230 nan 8.270 nan 0.000 0.459 581 D N 1.869 122.325 120.400 0.094 0.000 2.344 581 D HA 0.322 4.951 4.640 -0.018 0.000 0.253 581 D C -0.409 175.963 176.300 0.121 0.000 1.255 581 D CA 0.050 54.100 54.000 0.083 0.000 0.894 581 D CB -0.264 40.484 40.800 -0.087 0.000 1.067 581 D HN 0.429 nan 8.370 nan 0.000 0.492 582 I N 0.054 120.708 120.570 0.141 0.000 2.957 582 I HA 0.692 4.851 4.170 -0.018 0.000 0.310 582 I C -1.021 175.165 176.117 0.115 0.000 1.063 582 I CA -1.063 60.321 61.300 0.140 0.000 1.033 582 I CB 2.267 40.345 38.000 0.130 0.000 1.230 582 I HN -0.085 nan 8.210 nan 0.000 0.447 583 V N 3.633 123.611 119.914 0.107 0.000 2.638 583 V HA 0.414 4.523 4.120 -0.018 0.000 0.306 583 V C -0.230 175.842 176.094 -0.037 0.000 1.052 583 V CA -0.660 61.615 62.300 -0.042 0.000 0.885 583 V CB 1.896 33.631 31.823 -0.146 0.000 0.999 583 V HN 0.572 nan 8.190 nan 0.000 0.424 584 V N 3.711 123.544 119.914 -0.134 0.000 2.427 584 V HA 0.462 4.572 4.120 -0.018 0.000 0.286 584 V C -1.104 174.920 176.094 -0.116 0.000 1.034 584 V CA -0.441 61.850 62.300 -0.015 0.000 0.893 584 V CB 1.575 33.388 31.823 -0.015 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 4.089 125.436 121.300 0.079 0.000 2.336 585 W HA 0.460 5.110 4.660 -0.018 0.000 0.315 585 W C 0.037 176.658 176.519 0.170 0.000 1.016 585 W CA -0.466 56.929 57.345 0.084 0.000 1.318 585 W CB 0.467 29.950 29.460 0.039 0.000 1.247 585 W HN 0.573 nan 8.180 nan 0.000 0.414 586 H N 2.360 121.526 119.070 0.159 0.000 2.504 586 H HA 0.399 4.945 4.556 -0.017 0.000 0.322 586 H C -0.534 174.984 175.328 0.317 0.000 1.055 586 H CA -0.264 55.845 56.048 0.101 0.000 1.231 586 H CB 1.158 30.787 29.762 -0.221 0.000 1.417 586 H HN 0.157 nan 8.280 nan 0.000 0.472 587 T N 6.992 121.576 114.554 0.051 0.000 2.806 587 T HA 0.312 4.651 4.350 -0.018 0.000 0.290 587 T C -0.860 173.761 174.700 -0.131 0.000 0.966 587 T CA -0.305 61.834 62.100 0.065 0.000 1.060 587 T CB -0.126 68.867 68.868 0.207 0.000 0.927 587 T HN 0.483 nan 8.240 nan 0.000 0.485 588 F N 0.012 119.875 119.950 -0.144 0.000 2.615 588 F HA 0.821 5.338 4.527 -0.017 0.000 0.312 588 F C -0.288 175.634 175.800 0.204 0.000 1.119 588 F CA -1.082 56.894 58.000 -0.039 0.000 0.979 588 F CB 0.996 39.939 39.000 -0.095 0.000 1.266 588 F HN 0.784 nan 8.300 nan 0.000 0.444 589 G N 2.009 110.939 108.800 0.216 0.000 2.606 589 G HA2 0.632 4.582 3.960 -0.018 0.000 0.300 589 G HA3 0.632 4.582 3.960 -0.018 0.000 0.300 589 G C -2.451 172.565 174.900 0.194 0.000 1.360 589 G CA -1.160 44.058 45.100 0.197 0.000 0.783 589 G HN 0.821 nan 8.290 nan 0.000 0.484 590 L N 0.349 121.674 121.223 0.170 0.000 2.329 590 L HA 0.581 4.911 4.340 -0.018 0.000 0.279 590 L C -0.141 176.733 176.870 0.006 0.000 1.014 590 L CA -0.671 54.235 54.840 0.110 0.000 0.814 590 L CB 2.440 44.577 42.059 0.129 0.000 1.257 590 L HN 0.414 nan 8.230 nan 0.000 0.424 591 T N 0.900 115.412 114.554 -0.069 0.000 2.770 591 T HA 0.227 4.566 4.350 -0.018 0.000 0.297 591 T C -0.652 173.849 174.700 -0.333 0.000 0.997 591 T CA -0.232 61.715 62.100 -0.255 0.000 0.949 591 T CB 0.003 68.738 68.868 -0.221 0.000 0.941 591 T HN 0.419 nan 8.240 nan 0.000 0.457 592 H N 3.221 121.909 119.070 -0.636 0.000 2.581 592 H HA 0.388 4.933 4.556 -0.018 0.000 0.308 592 H C -1.090 173.787 175.328 -0.750 0.000 1.040 592 H CA -1.079 54.623 56.048 -0.577 0.000 1.231 592 H CB 0.326 29.780 29.762 -0.514 0.000 1.396 592 H HN 0.438 nan 8.280 nan 0.000 0.467 593 F N 6.757 126.633 119.950 -0.125 0.000 2.293 593 F HA 0.274 4.791 4.527 -0.018 0.000 0.370 593 F C -2.027 173.751 175.800 -0.037 0.000 1.090 593 F CA -2.516 55.260 58.000 -0.374 0.000 1.133 593 F CB 0.825 39.485 39.000 -0.567 0.000 1.360 593 F HN 0.521 nan 8.300 nan 0.000 0.489 594 P HA 0.009 nan 4.420 nan 0.000 0.264 594 P C -0.366 177.051 177.300 0.194 0.000 1.183 594 P CA 0.047 63.175 63.100 0.047 0.000 0.763 594 P CB 0.502 32.191 31.700 -0.018 0.000 0.807 595 R N 1.766 122.397 120.500 0.219 0.000 2.828 595 R HA 0.414 4.744 4.340 -0.018 0.000 0.264 595 R C 0.461 176.852 176.300 0.151 0.000 1.022 595 R CA -0.846 55.350 56.100 0.160 0.000 1.021 595 R CB 0.258 30.645 30.300 0.145 0.000 1.163 595 R HN 0.072 nan 8.270 nan 0.000 0.494 596 V N 1.210 121.188 119.914 0.107 0.000 2.469 596 V HA -0.231 3.878 4.120 -0.018 0.000 0.251 596 V C 1.592 177.782 176.094 0.161 0.000 1.064 596 V CA 2.072 64.443 62.300 0.118 0.000 1.066 596 V CB -0.767 31.097 31.823 0.070 0.000 0.667 596 V HN 0.764 nan 8.190 nan 0.000 0.461 597 E N -0.115 120.161 120.200 0.127 0.000 2.409 597 E HA -0.142 4.197 4.350 -0.018 0.000 0.198 597 E C 1.589 178.263 176.600 0.124 0.000 1.024 597 E CA 0.721 57.185 56.400 0.107 0.000 0.861 597 E CB -0.234 29.511 29.700 0.074 0.000 0.788 597 E HN 0.573 nan 8.360 nan 0.000 0.521 598 D N -0.966 119.546 120.400 0.187 0.000 2.355 598 D HA -0.061 4.569 4.640 -0.018 0.000 0.218 598 D C -0.262 176.181 176.300 0.239 0.000 1.004 598 D CA 0.273 54.398 54.000 0.210 0.000 0.880 598 D CB 0.127 41.109 40.800 0.305 0.000 0.911 598 D HN 0.216 nan 8.370 nan 0.000 0.528 599 W N 2.266 123.595 121.300 0.049 0.000 2.551 599 W HA 0.215 4.864 4.660 -0.018 0.000 0.330 599 W C -1.870 174.675 176.519 0.043 0.000 1.063 599 W CA -1.953 55.419 57.345 0.045 0.000 1.222 599 W CB 2.003 31.488 29.460 0.042 0.000 1.349 599 W HN -0.185 nan 8.180 nan 0.000 0.536 600 P HA 0.097 nan 4.420 nan 0.000 0.240 600 P C -0.026 176.801 177.300 -0.789 0.000 1.190 600 P CA 0.797 62.978 63.100 -1.531 0.000 0.781 600 P CB 1.425 32.537 31.700 -0.980 0.000 0.931 601 I N 0.525 120.820 120.570 -0.459 0.000 2.607 601 I HA 0.295 4.454 4.170 -0.018 0.000 0.290 601 I C -0.460 175.514 176.117 -0.239 0.000 1.129 601 I CA -1.848 59.179 61.300 -0.455 0.000 1.042 601 I CB 2.346 39.806 38.000 -0.900 0.000 1.242 601 I HN -0.254 nan 8.210 nan 0.000 0.421 602 M N 9.381 128.896 119.600 -0.141 0.000 2.211 602 M HA 0.596 5.066 4.480 -0.018 0.000 0.356 602 M C -2.590 173.674 176.300 -0.061 0.000 1.216 602 M CA -1.315 53.963 55.300 -0.037 0.000 1.134 602 M CB 0.900 33.541 32.600 0.068 0.000 1.564 602 M HN 0.223 nan 8.290 nan 0.000 0.463 603 P HA 0.135 nan 4.420 nan 0.000 0.275 603 P C -0.456 176.824 177.300 -0.033 0.000 1.228 603 P CA -0.416 62.660 63.100 -0.041 0.000 0.786 603 P CB 0.951 32.635 31.700 -0.026 0.000 0.927 604 V N 2.964 122.860 119.914 -0.029 0.000 2.644 604 V HA -0.065 4.044 4.120 -0.018 0.000 0.305 604 V C 0.813 176.880 176.094 -0.045 0.000 1.053 604 V CA 1.181 63.468 62.300 -0.022 0.000 1.186 604 V CB -0.323 31.502 31.823 0.003 0.000 0.895 604 V HN 0.650 nan 8.190 nan 0.000 0.490 605 D N 2.438 122.799 120.400 -0.066 0.000 2.433 605 D HA 0.711 5.340 4.640 -0.018 0.000 0.236 605 D C -0.201 176.055 176.300 -0.073 0.000 1.026 605 D CA -0.175 53.779 54.000 -0.077 0.000 0.884 605 D CB 2.303 43.030 40.800 -0.122 0.000 1.384 605 D HN 0.726 nan 8.370 nan 0.000 0.477 606 T N -1.534 112.988 114.554 -0.054 0.000 2.901 606 T HA 0.783 5.123 4.350 -0.018 0.000 0.293 606 T C -0.861 173.849 174.700 0.016 0.000 1.084 606 T CA -0.808 61.254 62.100 -0.063 0.000 1.008 606 T CB 1.525 70.341 68.868 -0.087 0.000 1.170 606 T HN 0.264 nan 8.240 nan 0.000 0.509 607 V N -0.633 119.283 119.914 0.003 0.000 3.225 607 V HA 0.852 4.962 4.120 -0.018 0.000 0.293 607 V C -0.281 175.793 176.094 -0.032 0.000 1.405 607 V CA 0.532 62.914 62.300 0.137 0.000 1.038 607 V CB 1.674 33.646 31.823 0.248 0.000 1.123 607 V HN 1.725 nan 8.190 nan 0.000 0.447 608 G N 2.497 111.126 108.800 -0.286 0.000 2.393 608 G HA2 0.709 4.659 3.960 -0.018 0.000 0.264 608 G HA3 0.709 4.659 3.960 -0.018 0.000 0.264 608 G C -1.493 172.822 174.900 -0.974 0.000 1.221 608 G CA 0.234 44.955 45.100 -0.631 0.000 0.912 608 G HN 1.983 nan 8.290 nan 0.000 0.483 609 F N -1.000 118.575 119.950 -0.625 0.000 2.807 609 F HA 0.856 5.372 4.527 -0.018 0.000 0.316 609 F C -1.056 174.726 175.800 -0.030 0.000 1.162 609 F CA -0.995 56.822 58.000 -0.304 0.000 0.910 609 F CB 1.421 40.268 39.000 -0.255 0.000 1.314 609 F HN 0.848 nan 8.300 nan 0.000 0.454 610 K N 0.922 121.487 120.400 0.275 0.000 2.533 610 K HA 0.858 5.167 4.320 -0.018 0.000 0.272 610 K C -2.438 174.412 176.600 0.416 0.000 0.985 610 K CA -1.057 55.379 56.287 0.249 0.000 0.876 610 K CB 2.666 35.274 32.500 0.180 0.000 1.452 610 K HN 0.730 nan 8.250 nan 0.000 0.439 611 L N 1.381 122.848 121.223 0.407 0.000 2.385 611 L HA 0.567 4.896 4.340 -0.018 0.000 0.273 611 L C -0.709 176.446 176.870 0.476 0.000 0.990 611 L CA -0.554 54.558 54.840 0.453 0.000 0.821 611 L CB 2.123 44.460 42.059 0.463 0.000 1.279 611 L HN 0.586 nan 8.230 nan 0.000 0.412 612 R N 3.151 123.858 120.500 0.345 0.000 2.637 612 R HA 0.570 4.899 4.340 -0.018 0.000 0.291 612 R C -2.580 173.508 176.300 -0.353 0.000 0.963 612 R CA -1.924 54.243 56.100 0.112 0.000 0.901 612 R CB 1.594 31.976 30.300 0.137 0.000 1.160 612 R HN 0.298 nan 8.270 nan 0.000 0.457 613 P HA -0.040 nan 4.420 nan 0.000 0.268 613 P C -0.742 176.352 177.300 -0.343 0.000 1.205 613 P CA 0.161 62.633 63.100 -1.047 0.000 0.771 613 P CB 0.794 32.177 31.700 -0.528 0.000 0.858 614 E N 1.903 121.968 120.200 -0.224 0.000 2.731 614 E HA 0.436 4.775 4.350 -0.018 0.000 0.248 614 E C 0.650 177.252 176.600 0.003 0.000 1.084 614 E CA -0.400 55.969 56.400 -0.052 0.000 0.776 614 E CB -0.578 29.110 29.700 -0.019 0.000 1.404 614 E HN 0.675 nan 8.360 nan 0.000 0.395 615 G N 3.319 112.131 108.800 0.020 0.000 2.160 615 G HA2 -0.364 3.586 3.960 -0.018 0.000 0.251 615 G HA3 -0.364 3.586 3.960 -0.018 0.000 0.251 615 G C 0.503 175.413 174.900 0.018 0.000 1.008 615 G CA 0.425 45.540 45.100 0.025 0.000 0.724 615 G HN 0.541 nan 8.290 nan 0.000 0.514 616 F N 0.040 119.880 119.950 -0.183 0.000 2.187 616 F HA 0.477 4.994 4.527 -0.018 0.000 0.295 616 F C 1.337 176.883 175.800 -0.424 0.000 1.091 616 F CA 0.600 58.397 58.000 -0.337 0.000 1.308 616 F CB 0.058 38.748 39.000 -0.517 0.000 1.030 616 F HN 0.119 nan 8.300 nan 0.000 0.487 617 F N 0.372 120.354 119.950 0.053 0.000 2.411 617 F HA 0.223 4.739 4.527 -0.019 0.000 0.324 617 F C 1.331 177.096 175.800 -0.058 0.000 1.086 617 F CA -0.766 57.210 58.000 -0.040 0.000 1.028 617 F CB 0.343 39.324 39.000 -0.031 0.000 1.284 617 F HN -0.275 nan 8.300 nan 0.000 0.501 618 D N 0.030 120.525 120.400 0.158 0.000 2.340 618 D HA 0.079 4.708 4.640 -0.018 0.000 0.220 618 D C 0.287 176.620 176.300 0.056 0.000 1.039 618 D CA 0.553 54.591 54.000 0.064 0.000 0.866 618 D CB 0.267 41.088 40.800 0.034 0.000 0.913 618 D HN 0.506 nan 8.370 nan 0.000 0.523 619 R N -2.139 118.407 120.500 0.076 0.000 2.832 619 R HA 0.199 4.528 4.340 -0.018 0.000 0.283 619 R C -0.763 175.536 176.300 -0.003 0.000 0.998 619 R CA -0.762 55.354 56.100 0.027 0.000 0.843 619 R CB 0.306 30.609 30.300 0.004 0.000 1.332 619 R HN -0.153 nan 8.270 nan 0.000 0.490 620 S N 1.011 116.687 115.700 -0.040 0.000 2.546 620 S HA 0.114 4.573 4.470 -0.018 0.000 0.290 620 S C -1.276 173.215 174.600 -0.180 0.000 1.290 620 S CA -0.800 57.343 58.200 -0.094 0.000 1.069 620 S CB 0.462 63.628 63.200 -0.055 0.000 0.846 620 S HN 0.514 nan 8.310 nan 0.000 0.495 621 P HA 0.098 nan 4.420 nan 0.000 0.249 621 P C 0.551 177.734 177.300 -0.196 0.000 1.229 621 P CA 0.238 63.042 63.100 -0.493 0.000 0.788 621 P CB -0.207 30.698 31.700 -1.325 0.000 1.072 622 V N -4.111 115.741 119.914 -0.103 0.000 3.006 622 V HA 0.240 4.349 4.120 -0.018 0.000 0.357 622 V C 1.553 177.668 176.094 0.035 0.000 1.377 622 V CA -0.105 62.188 62.300 -0.011 0.000 1.198 622 V CB -0.783 31.059 31.823 0.032 0.000 1.216 622 V HN -0.125 nan 8.190 nan 0.000 0.520 623 L N 1.234 122.468 121.223 0.019 0.000 2.291 623 L HA 0.023 4.352 4.340 -0.018 0.000 0.214 623 L C 2.059 178.969 176.870 0.066 0.000 1.120 623 L CA 1.474 56.349 54.840 0.058 0.000 0.799 623 L CB -0.253 41.818 42.059 0.020 0.000 0.925 623 L HN 0.570 nan 8.230 nan 0.000 0.446 624 D N -0.782 119.637 120.400 0.031 0.000 2.328 624 D HA -0.006 4.624 4.640 -0.018 0.000 0.221 624 D C 0.583 176.891 176.300 0.013 0.000 1.072 624 D CA 0.005 54.017 54.000 0.021 0.000 0.850 624 D CB -0.270 40.531 40.800 0.002 0.000 0.922 624 D HN -0.018 nan 8.370 nan 0.000 0.516 625 V N 3.309 123.236 119.914 0.022 0.000 2.508 625 V HA 0.181 4.291 4.120 -0.018 0.000 0.281 625 V C -1.601 174.489 176.094 -0.006 0.000 1.041 625 V CA -1.168 61.133 62.300 0.002 0.000 1.016 625 V CB 0.788 32.618 31.823 0.011 0.000 0.984 625 V HN 0.172 nan 8.190 nan 0.000 0.478 626 P HA 0.151 nan 4.420 nan 0.000 0.272 626 P C 0.618 177.883 177.300 -0.059 0.000 1.230 626 P CA -0.123 62.961 63.100 -0.026 0.000 0.788 626 P CB 1.147 32.836 31.700 -0.019 0.000 0.949 627 A N 2.635 125.413 122.820 -0.070 0.000 1.892 627 A HA -0.215 4.095 4.320 -0.018 0.000 0.218 627 A C 1.446 178.980 177.584 -0.084 0.000 1.188 627 A CA 1.356 53.329 52.037 -0.107 0.000 0.631 627 A CB -1.433 17.518 19.000 -0.081 0.000 0.822 627 A HN 0.773 nan 8.150 nan 0.000 0.447 628 N N 0.000 118.672 118.700 -0.047 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 628 N CB 0.000 38.478 38.487 -0.014 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667