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 2x0p_1_A DATA FIRST_RESID 7 DATA SEQUENCE PHPAEIVAHL QPEIWNKVNR LLVRKAISEY AHEWLLEPQR LGPGETPGFE DATA SEQUENCE RFRLTLADGA QYDFDAQVMA MRHWRIPPES IVKTVAGVPA PLDALQFVIE DATA SEQUENCE IRDKLGLPVD RLPIYMDEIT STLHGSAYKH GRTTLGAAAL ARADYQTIET DATA SEQUENCE SMIEGHPSFV ANNGRLGFDA EDYHGYAPEA ATPVRLMWLA VHKDNAHFSC DATA SEQUENCE LSDMDYDSLM SEELGESAVT DFAARLREQG LHPADYYFMP AHPWQWFNKL DATA SEQUENCE SLAFAPYVAQ RKIVCLGYGE EQYLAQQSIR TFFNISRPGK RYVKTSLSIL DATA SEQUENCE NMGXXXGLSP YYMAGTPAIN EYIHDLISAD PWLRANGFRI LREVASMGFR DATA SEQUENCE NYYYEAAIDT DTPYKKMFSA LWRENPLTLI APGQNLMTMA ALLHVDPQGR DATA SEQUENCE ALLPELIQAS GLDAGTWLER YVDAYLTPLI HCFYAHDLVF MPHGENVILV DATA SEQUENCE IQDGVPVRAF MKDIAEESSI LNPQVRLPQA AQRLAADVPE AYKLLTIFVD DATA SEQUENCE VFEGYFRHLT QILVETELMP EHDFWRLVAG RIAAYQQAHP QRLDKYRRYD DATA SEQUENCE LFAPDMIHSC LNRLQLANXX XXXXXXXXXX XXXXAPNLPN PIACFR 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.320 177.300 0.033 0.000 1.155 7 P CA 0.000 63.112 63.100 0.021 0.000 0.800 7 P CB 0.000 31.701 31.700 0.001 0.000 0.726 8 H N 4.815 123.877 119.070 -0.013 0.000 3.004 8 H HA 0.108 4.658 4.556 -0.009 0.000 0.316 8 H C -1.161 174.162 175.328 -0.007 0.000 1.014 8 H CA -0.054 55.988 56.048 -0.009 0.000 1.454 8 H CB 1.926 31.682 29.762 -0.009 0.000 1.472 8 H HN 0.257 nan 8.280 nan 0.000 0.571 9 P HA -0.091 nan 4.420 nan 0.000 0.225 9 P C 0.936 178.264 177.300 0.048 0.000 1.148 9 P CA 1.076 64.118 63.100 -0.097 0.000 0.779 9 P CB 0.072 31.669 31.700 -0.171 0.000 0.780 10 A N 0.247 123.220 122.820 0.255 0.000 2.067 10 A HA -0.100 4.214 4.320 -0.009 0.000 0.217 10 A C 2.147 179.814 177.584 0.138 0.000 1.156 10 A CA 0.855 53.027 52.037 0.225 0.000 0.683 10 A CB -0.828 18.337 19.000 0.276 0.000 0.808 10 A HN 0.158 nan 8.150 nan 0.000 0.455 11 E N -0.125 120.159 120.200 0.141 0.000 2.150 11 E HA -0.161 4.183 4.350 -0.009 0.000 0.193 11 E C 1.673 178.307 176.600 0.057 0.000 0.985 11 E CA 1.260 57.702 56.400 0.070 0.000 0.814 11 E CB -0.335 29.390 29.700 0.043 0.000 0.752 11 E HN 0.867 nan 8.360 nan 0.000 0.466 12 I N -0.958 119.658 120.570 0.076 0.000 2.700 12 I HA -0.143 4.022 4.170 -0.009 0.000 0.261 12 I C 1.630 177.985 176.117 0.397 0.000 1.219 12 I CA 0.794 62.201 61.300 0.177 0.000 1.463 12 I CB -0.376 37.759 38.000 0.225 0.000 1.092 12 I HN -0.074 nan 8.210 nan 0.000 0.452 13 V N -2.388 117.635 119.914 0.182 0.000 2.988 13 V HA 0.662 4.777 4.120 -0.009 0.000 0.356 13 V C 1.946 177.954 176.094 -0.143 0.000 1.380 13 V CA -0.010 62.269 62.300 -0.036 0.000 1.184 13 V CB -0.570 31.202 31.823 -0.085 0.000 1.204 13 V HN 0.257 nan 8.190 nan 0.000 0.530 14 A N 1.517 124.366 122.820 0.049 0.000 2.076 14 A HA -0.214 4.101 4.320 -0.009 0.000 0.220 14 A C 2.028 179.639 177.584 0.045 0.000 1.160 14 A CA 2.121 54.183 52.037 0.042 0.000 0.653 14 A CB -0.910 18.139 19.000 0.082 0.000 0.801 14 A HN 0.973 nan 8.150 nan 0.000 0.455 15 H N -1.090 118.044 119.070 0.107 0.000 2.547 15 H HA 0.175 4.726 4.556 -0.010 0.000 0.272 15 H C 0.225 175.600 175.328 0.079 0.000 0.989 15 H CA 0.240 56.346 56.048 0.098 0.000 1.214 15 H CB -0.582 29.287 29.762 0.179 0.000 1.389 15 H HN 0.385 nan 8.280 nan 0.000 0.577 16 L N 2.932 123.956 121.223 -0.332 0.000 2.328 16 L HA 0.261 4.595 4.340 -0.009 0.000 0.280 16 L C -0.381 176.416 176.870 -0.122 0.000 1.111 16 L CA -0.048 54.657 54.840 -0.224 0.000 0.909 16 L CB 0.581 42.406 42.059 -0.391 0.000 1.277 16 L HN 0.148 nan 8.230 nan 0.000 0.433 17 Q N 2.856 122.653 119.800 -0.005 0.000 2.399 17 Q HA 0.385 4.720 4.340 -0.009 0.000 0.276 17 Q C -1.814 174.224 176.000 0.063 0.000 1.098 17 Q CA -1.775 54.031 55.803 0.005 0.000 0.827 17 Q CB 2.150 30.904 28.738 0.026 0.000 1.386 17 Q HN 0.125 nan 8.270 nan 0.000 0.443 18 P HA -0.247 nan 4.420 nan 0.000 0.215 18 P C 0.859 178.236 177.300 0.128 0.000 1.157 18 P CA 1.378 64.529 63.100 0.085 0.000 0.868 18 P CB 0.327 32.051 31.700 0.041 0.000 0.788 19 E N -0.714 119.536 120.200 0.082 0.000 2.072 19 E HA -0.160 4.185 4.350 -0.009 0.000 0.190 19 E C 1.981 178.621 176.600 0.066 0.000 0.982 19 E CA 0.715 57.152 56.400 0.063 0.000 0.803 19 E CB -0.656 29.066 29.700 0.037 0.000 0.755 19 E HN 0.026 nan 8.360 nan 0.000 0.453 20 I N 0.720 121.342 120.570 0.087 0.000 2.315 20 I HA -0.195 3.970 4.170 -0.009 0.000 0.248 20 I C 2.054 178.229 176.117 0.097 0.000 1.117 20 I CA 1.178 62.524 61.300 0.077 0.000 1.404 20 I CB -0.294 37.767 38.000 0.101 0.000 1.071 20 I HN 0.417 nan 8.210 nan 0.000 0.419 21 W N 1.161 122.442 121.300 -0.031 0.000 2.335 21 W HA -0.285 4.370 4.660 -0.008 0.000 0.311 21 W C 2.130 178.624 176.519 -0.041 0.000 1.213 21 W CA 1.577 58.904 57.345 -0.031 0.000 1.274 21 W CB -0.386 29.063 29.460 -0.020 0.000 1.148 21 W HN 0.217 nan 8.180 nan 0.000 0.498 22 N N 0.815 119.564 118.700 0.082 0.000 2.166 22 N HA -0.208 4.526 4.740 -0.009 0.000 0.186 22 N C 1.726 177.166 175.510 -0.118 0.000 1.019 22 N CA 1.733 54.770 53.050 -0.021 0.000 0.856 22 N CB -0.797 37.713 38.487 0.039 0.000 0.993 22 N HN 0.289 nan 8.380 nan 0.000 0.426 23 K N 1.229 121.561 120.400 -0.114 0.000 2.026 23 K HA -0.098 4.217 4.320 -0.009 0.000 0.208 23 K C 1.884 178.320 176.600 -0.273 0.000 1.048 23 K CA 1.519 57.709 56.287 -0.161 0.000 0.929 23 K CB -0.014 32.405 32.500 -0.135 0.000 0.713 23 K HN 0.120 nan 8.250 nan 0.000 0.439 24 V N -0.801 118.896 119.914 -0.362 0.000 2.667 24 V HA -0.125 3.990 4.120 -0.009 0.000 0.252 24 V C 1.816 177.661 176.094 -0.415 0.000 1.065 24 V CA 1.591 63.622 62.300 -0.449 0.000 1.083 24 V CB -0.701 30.848 31.823 -0.457 0.000 0.692 24 V HN 0.291 nan 8.190 nan 0.000 0.468 25 N N 1.139 119.557 118.700 -0.470 0.000 2.120 25 N HA -0.207 4.528 4.740 -0.009 0.000 0.188 25 N C 2.110 177.468 175.510 -0.254 0.000 1.024 25 N CA 2.039 54.848 53.050 -0.402 0.000 0.852 25 N CB -0.246 37.988 38.487 -0.421 0.000 1.003 25 N HN 0.594 nan 8.380 nan 0.000 0.424 26 R N 1.377 121.750 120.500 -0.212 0.000 2.081 26 R HA -0.040 4.295 4.340 -0.009 0.000 0.235 26 R C 2.318 178.506 176.300 -0.187 0.000 1.131 26 R CA 0.857 56.857 56.100 -0.166 0.000 0.960 26 R CB -0.243 29.982 30.300 -0.125 0.000 0.856 26 R HN 0.163 nan 8.270 nan 0.000 0.436 27 L N 0.472 121.574 121.223 -0.201 0.000 2.046 27 L HA -0.192 4.143 4.340 -0.009 0.000 0.208 27 L C 2.425 179.182 176.870 -0.188 0.000 1.077 27 L CA 0.756 55.488 54.840 -0.181 0.000 0.747 27 L CB -0.384 41.568 42.059 -0.179 0.000 0.896 27 L HN 0.279 nan 8.230 nan 0.000 0.432 28 L N -0.921 120.176 121.223 -0.209 0.000 2.179 28 L HA -0.081 4.253 4.340 -0.009 0.000 0.208 28 L C 2.303 179.034 176.870 -0.233 0.000 1.096 28 L CA 1.211 55.935 54.840 -0.193 0.000 0.779 28 L CB -0.158 41.794 42.059 -0.178 0.000 0.922 28 L HN -0.109 nan 8.230 nan 0.000 0.443 29 V N 0.030 119.778 119.914 -0.277 0.000 2.287 29 V HA -0.292 3.822 4.120 -0.009 0.000 0.248 29 V C 2.824 178.614 176.094 -0.506 0.000 1.053 29 V CA 1.944 63.974 62.300 -0.450 0.000 1.027 29 V CB -0.826 30.744 31.823 -0.421 0.000 0.646 29 V HN 0.498 nan 8.190 nan 0.000 0.447 30 R N 0.705 120.989 120.500 -0.360 0.000 2.094 30 R HA -0.243 4.092 4.340 -0.009 0.000 0.239 30 R C 2.381 178.486 176.300 -0.325 0.000 1.137 30 R CA 2.503 58.401 56.100 -0.337 0.000 0.943 30 R CB -0.527 29.640 30.300 -0.222 0.000 0.850 30 R HN 0.543 nan 8.270 nan 0.000 0.433 31 K N -0.341 119.906 120.400 -0.255 0.000 2.026 31 K HA -0.104 4.211 4.320 -0.009 0.000 0.208 31 K C 2.009 178.422 176.600 -0.311 0.000 1.048 31 K CA 1.539 57.696 56.287 -0.218 0.000 0.929 31 K CB -0.209 32.199 32.500 -0.153 0.000 0.713 31 K HN 0.240 nan 8.250 nan 0.000 0.439 32 A N 1.242 123.843 122.820 -0.364 0.000 1.877 32 A HA -0.154 4.161 4.320 -0.009 0.000 0.216 32 A C 2.100 179.424 177.584 -0.432 0.000 1.186 32 A CA 1.611 53.348 52.037 -0.500 0.000 0.620 32 A CB -0.601 18.338 19.000 -0.103 0.000 0.822 32 A HN 0.352 nan 8.150 nan 0.000 0.443 33 I N -0.749 119.549 120.570 -0.453 0.000 2.142 33 I HA -0.239 3.926 4.170 -0.009 0.000 0.240 33 I C 2.891 178.733 176.117 -0.459 0.000 1.078 33 I CA 1.572 62.587 61.300 -0.475 0.000 1.343 33 I CB -0.361 37.137 38.000 -0.837 0.000 1.046 33 I HN 0.447 nan 8.210 nan 0.000 0.405 34 S N 0.503 115.950 115.700 -0.422 0.000 2.359 34 S HA -0.232 4.233 4.470 -0.009 0.000 0.223 34 S C 2.026 176.522 174.600 -0.174 0.000 1.039 34 S CA 1.694 59.720 58.200 -0.290 0.000 1.042 34 S CB -0.217 62.855 63.200 -0.214 0.000 0.915 34 S HN 0.351 nan 8.310 nan 0.000 0.439 35 E N -0.043 120.058 120.200 -0.165 0.000 2.107 35 E HA -0.036 4.308 4.350 -0.009 0.000 0.191 35 E C 1.955 178.600 176.600 0.076 0.000 0.982 35 E CA 1.044 57.427 56.400 -0.028 0.000 0.809 35 E CB -0.509 29.139 29.700 -0.088 0.000 0.756 35 E HN 0.806 nan 8.360 nan 0.000 0.459 36 Y N 0.893 121.198 120.300 0.009 0.000 2.200 36 Y HA -0.147 4.399 4.550 -0.008 0.000 0.290 36 Y C 2.555 178.401 175.900 -0.090 0.000 1.137 36 Y CA 0.402 58.496 58.100 -0.010 0.000 1.163 36 Y CB -0.193 38.264 38.460 -0.004 0.000 0.988 36 Y HN 0.035 nan 8.280 nan 0.000 0.518 37 A N 0.191 122.943 122.820 -0.112 0.000 1.883 37 A HA -0.327 3.988 4.320 -0.009 0.000 0.217 37 A C 1.823 179.271 177.584 -0.228 0.000 1.186 37 A CA 2.226 54.005 52.037 -0.431 0.000 0.624 37 A CB -1.264 16.994 19.000 -1.237 0.000 0.822 37 A HN 0.625 nan 8.150 nan 0.000 0.444 38 H N 0.174 119.188 119.070 -0.092 0.000 2.390 38 H HA -0.102 4.449 4.556 -0.008 0.000 0.298 38 H C 1.423 176.811 175.328 0.100 0.000 1.106 38 H CA 2.082 58.189 56.048 0.098 0.000 1.297 38 H CB -0.096 29.769 29.762 0.171 0.000 1.375 38 H HN 0.609 nan 8.280 nan 0.000 0.509 39 E N -1.370 118.869 120.200 0.065 0.000 2.437 39 E HA 0.007 4.352 4.350 -0.009 0.000 0.189 39 E C -0.125 176.624 176.600 0.247 0.000 1.054 39 E CA 0.243 56.712 56.400 0.116 0.000 0.874 39 E CB 0.132 29.929 29.700 0.162 0.000 1.011 39 E HN 0.632 nan 8.360 nan 0.000 0.474 40 W N -1.342 119.997 121.300 0.065 0.000 2.303 40 W HA -0.296 4.360 4.660 -0.007 0.000 0.267 40 W C 1.001 177.526 176.519 0.009 0.000 1.054 40 W CA -0.018 57.354 57.345 0.044 0.000 0.501 40 W CB -2.043 27.436 29.460 0.032 0.000 2.076 40 W HN 0.169 nan 8.180 nan 0.000 1.317 41 L N -0.512 120.806 121.223 0.158 0.000 2.141 41 L HA -0.017 4.318 4.340 -0.009 0.000 0.209 41 L C 1.380 178.263 176.870 0.022 0.000 1.094 41 L CA 1.141 56.008 54.840 0.046 0.000 0.763 41 L CB -0.384 41.645 42.059 -0.051 0.000 0.908 41 L HN -0.052 nan 8.230 nan 0.000 0.437 42 L N -0.424 120.811 121.223 0.020 0.000 2.346 42 L HA 0.361 4.696 4.340 -0.009 0.000 0.274 42 L C -0.430 176.410 176.870 -0.050 0.000 1.007 42 L CA -0.386 54.441 54.840 -0.022 0.000 0.818 42 L CB 1.886 43.913 42.059 -0.053 0.000 1.284 42 L HN -0.028 nan 8.230 nan 0.000 0.424 43 E N 3.394 123.601 120.200 0.011 0.000 2.489 43 E HA 0.300 4.644 4.350 -0.009 0.000 0.232 43 E C -2.396 174.240 176.600 0.060 0.000 0.990 43 E CA -1.755 54.674 56.400 0.048 0.000 0.768 43 E CB 1.312 31.116 29.700 0.174 0.000 1.270 43 E HN 0.326 nan 8.360 nan 0.000 0.423 44 P HA -0.059 nan 4.420 nan 0.000 0.268 44 P C -0.695 176.800 177.300 0.325 0.000 1.205 44 P CA -0.015 63.150 63.100 0.109 0.000 0.771 44 P CB 0.560 32.204 31.700 -0.095 0.000 0.858 45 Q N 2.622 122.590 119.800 0.281 0.000 2.314 45 Q HA 0.225 4.559 4.340 -0.009 0.000 0.259 45 Q C -0.194 175.892 176.000 0.143 0.000 0.951 45 Q CA -0.886 55.048 55.803 0.219 0.000 0.909 45 Q CB 0.854 29.665 28.738 0.121 0.000 1.236 45 Q HN 0.306 nan 8.270 nan 0.000 0.444 46 R N 4.231 124.756 120.500 0.042 0.000 2.489 46 R HA 0.059 4.394 4.340 -0.009 0.000 0.287 46 R C 0.142 176.294 176.300 -0.247 0.000 1.053 46 R CA 0.274 56.136 56.100 -0.397 0.000 1.036 46 R CB 0.418 30.487 30.300 -0.385 0.000 0.966 46 R HN 0.839 nan 8.270 nan 0.000 0.432 47 L N 3.046 124.086 121.223 -0.305 0.000 2.388 47 L HA 0.375 4.709 4.340 -0.009 0.000 0.209 47 L C 1.152 177.932 176.870 -0.151 0.000 1.061 47 L CA 0.623 55.361 54.840 -0.170 0.000 0.834 47 L CB 0.453 42.429 42.059 -0.138 0.000 1.029 47 L HN 0.987 nan 8.230 nan 0.000 0.473 48 G N -0.542 108.140 108.800 -0.196 0.000 2.404 48 G HA2 0.119 4.074 3.960 -0.009 0.000 0.253 48 G HA3 0.119 4.074 3.960 -0.009 0.000 0.253 48 G C -3.024 171.798 174.900 -0.129 0.000 1.253 48 G CA -0.542 44.480 45.100 -0.131 0.000 0.917 48 G HN -0.249 nan 8.290 nan 0.000 0.480 49 P HA 0.449 nan 4.420 nan 0.000 0.282 49 P C 0.500 177.800 177.300 0.001 0.000 1.249 49 P CA 0.337 63.422 63.100 -0.025 0.000 0.806 49 P CB 1.268 32.964 31.700 -0.007 0.000 0.984 50 G N 1.560 110.398 108.800 0.064 0.000 2.569 50 G HA2 0.018 3.973 3.960 -0.009 0.000 0.249 50 G HA3 0.018 3.973 3.960 -0.009 0.000 0.249 50 G C 0.788 175.725 174.900 0.062 0.000 1.216 50 G CA -0.329 44.828 45.100 0.095 0.000 0.845 50 G HN 0.500 nan 8.290 nan 0.000 0.568 51 E N -0.422 119.796 120.200 0.029 0.000 2.097 51 E HA -0.105 4.239 4.350 -0.009 0.000 0.196 51 E C 0.814 177.427 176.600 0.022 0.000 1.000 51 E CA 1.233 57.640 56.400 0.010 0.000 0.804 51 E CB -0.033 29.660 29.700 -0.013 0.000 0.740 51 E HN 0.418 nan 8.360 nan 0.000 0.454 52 T N 3.203 117.771 114.554 0.023 0.000 2.806 52 T HA 0.195 4.539 4.350 -0.009 0.000 0.290 52 T C -2.391 172.448 174.700 0.232 0.000 0.966 52 T CA -1.568 60.584 62.100 0.088 0.000 1.060 52 T CB 1.348 70.201 68.868 -0.025 0.000 0.927 52 T HN -0.019 nan 8.240 nan 0.000 0.485 53 P HA 0.235 nan 4.420 nan 0.000 0.267 53 P C 0.948 178.357 177.300 0.181 0.000 1.205 53 P CA 0.374 63.563 63.100 0.148 0.000 0.765 53 P CB 0.651 32.404 31.700 0.090 0.000 0.828 54 G N 1.627 110.490 108.800 0.105 0.000 2.213 54 G HA2 -0.213 3.741 3.960 -0.009 0.000 0.226 54 G HA3 -0.213 3.741 3.960 -0.009 0.000 0.226 54 G C -0.226 174.586 174.900 -0.146 0.000 0.992 54 G CA -0.476 44.607 45.100 -0.028 0.000 0.632 54 G HN 0.420 nan 8.290 nan 0.000 0.511 55 F N 1.148 121.129 119.950 0.052 0.000 2.450 55 F HA 0.731 5.251 4.527 -0.012 0.000 0.328 55 F C 0.743 176.585 175.800 0.069 0.000 1.068 55 F CA -0.758 57.294 58.000 0.087 0.000 1.007 55 F CB 1.248 40.314 39.000 0.109 0.000 1.251 55 F HN 0.045 nan 8.300 nan 0.000 0.492 56 E N -0.017 120.362 120.200 0.298 0.000 2.235 56 E HA 0.520 4.864 4.350 -0.009 0.000 0.265 56 E C -1.028 175.617 176.600 0.074 0.000 0.940 56 E CA -1.173 55.277 56.400 0.084 0.000 0.819 56 E CB 1.798 31.442 29.700 -0.093 0.000 1.206 56 E HN 0.336 nan 8.360 nan 0.000 0.409 57 R N 1.331 121.739 120.500 -0.154 0.000 2.368 57 R HA 0.437 4.771 4.340 -0.009 0.000 0.302 57 R C -1.395 174.638 176.300 -0.445 0.000 1.002 57 R CA -0.085 55.923 56.100 -0.153 0.000 0.929 57 R CB 0.450 30.685 30.300 -0.107 0.000 1.073 57 R HN 0.355 nan 8.270 nan 0.000 0.464 58 F N 1.672 121.383 119.950 -0.398 0.000 2.579 58 F HA 0.559 5.080 4.527 -0.010 0.000 0.324 58 F C 0.138 175.548 175.800 -0.650 0.000 1.058 58 F CA -0.896 56.786 58.000 -0.529 0.000 0.944 58 F CB 1.900 40.494 39.000 -0.677 0.000 1.245 58 F HN 0.299 nan 8.300 nan 0.000 0.477 59 R N 1.840 122.256 120.500 -0.140 0.000 2.621 59 R HA 0.720 5.055 4.340 -0.009 0.000 0.292 59 R C -2.200 174.182 176.300 0.137 0.000 0.969 59 R CA -0.581 55.510 56.100 -0.014 0.000 0.887 59 R CB 1.436 31.746 30.300 0.018 0.000 1.180 59 R HN 0.768 nan 8.270 nan 0.000 0.450 60 L N 3.339 124.726 121.223 0.274 0.000 2.325 60 L HA 0.436 4.771 4.340 -0.009 0.000 0.281 60 L C -0.599 176.431 176.870 0.266 0.000 1.004 60 L CA -0.696 54.320 54.840 0.292 0.000 0.823 60 L CB 2.332 44.618 42.059 0.379 0.000 1.236 60 L HN 0.697 nan 8.230 nan 0.000 0.415 61 T N 4.738 119.401 114.554 0.182 0.000 2.770 61 T HA 0.562 4.907 4.350 -0.009 0.000 0.297 61 T C 0.403 175.183 174.700 0.134 0.000 0.997 61 T CA -0.246 61.941 62.100 0.146 0.000 0.949 61 T CB 1.010 69.936 68.868 0.097 0.000 0.941 61 T HN 0.337 nan 8.240 nan 0.000 0.457 62 L N 1.541 122.856 121.223 0.152 0.000 2.808 62 L HA 0.644 4.979 4.340 -0.009 0.000 0.222 62 L C 1.602 178.521 176.870 0.081 0.000 2.023 62 L CA -1.306 53.609 54.840 0.125 0.000 2.647 62 L CB -0.209 41.967 42.059 0.194 0.000 2.689 62 L HN 0.548 nan 8.230 nan 0.000 0.616 63 A N 0.708 123.572 122.820 0.074 0.000 2.879 63 A HA -0.037 4.278 4.320 -0.009 0.000 0.246 63 A C -0.486 177.123 177.584 0.042 0.000 1.921 63 A CA 0.269 52.332 52.037 0.045 0.000 1.626 63 A CB -1.791 17.234 19.000 0.042 0.000 0.790 63 A HN 0.639 nan 8.150 nan 0.000 0.625 64 D N -1.591 118.833 120.400 0.041 0.000 3.133 64 D HA -0.139 4.496 4.640 -0.009 0.000 0.239 64 D C 1.032 177.352 176.300 0.033 0.000 1.136 64 D CA 2.189 56.209 54.000 0.033 0.000 0.898 64 D CB -1.304 39.511 40.800 0.024 0.000 0.959 64 D HN 1.241 nan 8.370 nan 0.000 0.415 65 G N -1.043 107.780 108.800 0.037 0.000 3.638 65 G HA2 0.112 4.067 3.960 -0.009 0.000 0.196 65 G HA3 0.112 4.067 3.960 -0.009 0.000 0.196 65 G C 0.404 175.320 174.900 0.025 0.000 1.315 65 G CA 0.259 45.376 45.100 0.027 0.000 0.944 65 G HN 1.178 nan 8.290 nan 0.000 0.434 66 A N 0.888 123.736 122.820 0.047 0.000 2.488 66 A HA 0.625 4.940 4.320 -0.009 0.000 0.249 66 A C 0.245 177.863 177.584 0.057 0.000 1.083 66 A CA 1.224 53.281 52.037 0.034 0.000 0.768 66 A CB 0.538 19.617 19.000 0.133 0.000 1.017 66 A HN 0.753 nan 8.150 nan 0.000 0.496 67 Q N 1.748 121.509 119.800 -0.065 0.000 2.323 67 Q HA 0.570 4.905 4.340 -0.009 0.000 0.271 67 Q C -2.201 173.734 176.000 -0.109 0.000 1.048 67 Q CA -0.467 55.349 55.803 0.020 0.000 0.792 67 Q CB 1.524 30.273 28.738 0.018 0.000 1.280 67 Q HN 0.732 nan 8.270 nan 0.000 0.441 68 Y N 1.957 122.350 120.300 0.155 0.000 2.326 68 Y HA 0.353 4.897 4.550 -0.010 0.000 0.331 68 Y C -0.691 175.343 175.900 0.222 0.000 0.962 68 Y CA -0.882 57.332 58.100 0.190 0.000 1.167 68 Y CB 1.705 40.299 38.460 0.224 0.000 1.148 68 Y HN 0.546 nan 8.280 nan 0.000 0.463 69 D N 4.252 124.812 120.400 0.267 0.000 2.198 69 D HA 0.557 5.192 4.640 -0.009 0.000 0.247 69 D C -0.725 175.732 176.300 0.262 0.000 1.010 69 D CA -0.104 53.979 54.000 0.138 0.000 0.880 69 D CB 1.809 42.633 40.800 0.041 0.000 1.209 69 D HN 0.385 nan 8.370 nan 0.000 0.451 70 F N -1.799 118.232 119.950 0.134 0.000 2.693 70 F HA 0.425 4.946 4.527 -0.010 0.000 0.309 70 F C -1.074 174.832 175.800 0.178 0.000 1.129 70 F CA -1.253 56.811 58.000 0.106 0.000 0.948 70 F CB 0.946 39.987 39.000 0.068 0.000 1.315 70 F HN -0.135 nan 8.300 nan 0.000 0.447 71 D N 1.592 122.167 120.400 0.292 0.000 2.255 71 D HA 0.655 5.289 4.640 -0.009 0.000 0.249 71 D C -0.527 176.092 176.300 0.532 0.000 1.078 71 D CA 0.205 54.377 54.000 0.286 0.000 0.896 71 D CB 1.775 42.555 40.800 -0.033 0.000 1.194 71 D HN 0.978 nan 8.370 nan 0.000 0.429 72 A N 1.863 125.124 122.820 0.734 0.000 2.539 72 A HA 0.605 4.920 4.320 -0.009 0.000 0.296 72 A C -1.197 176.757 177.584 0.616 0.000 1.073 72 A CA -0.788 51.659 52.037 0.684 0.000 0.700 72 A CB 1.738 21.072 19.000 0.557 0.000 1.296 72 A HN 0.456 nan 8.150 nan 0.000 0.405 73 Q N 1.231 121.232 119.800 0.336 0.000 2.325 73 Q HA 0.595 4.930 4.340 -0.009 0.000 0.270 73 Q C -1.817 174.102 176.000 -0.134 0.000 1.020 73 Q CA -0.541 55.266 55.803 0.006 0.000 0.785 73 Q CB 1.793 30.378 28.738 -0.254 0.000 1.259 73 Q HN 0.554 nan 8.270 nan 0.000 0.452 74 V N 6.196 125.937 119.914 -0.289 0.000 2.353 74 V HA 0.256 4.371 4.120 -0.009 0.000 0.264 74 V C 0.319 176.253 176.094 -0.265 0.000 1.049 74 V CA -0.045 61.941 62.300 -0.523 0.000 0.896 74 V CB 0.380 31.691 31.823 -0.855 0.000 1.025 74 V HN 0.933 nan 8.190 nan 0.000 0.475 75 M N 3.032 122.537 119.600 -0.157 0.000 2.310 75 M HA 0.639 5.114 4.480 -0.009 0.000 0.241 75 M C 0.874 177.159 176.300 -0.025 0.000 1.162 75 M CA -0.367 54.915 55.300 -0.029 0.000 0.958 75 M CB 0.555 33.197 32.600 0.070 0.000 1.348 75 M HN 0.614 nan 8.290 nan 0.000 0.541 76 A N 0.265 123.101 122.820 0.026 0.000 2.448 76 A HA 0.317 4.632 4.320 -0.009 0.000 0.239 76 A C 0.402 177.977 177.584 -0.015 0.000 1.080 76 A CA -0.166 51.857 52.037 -0.024 0.000 0.779 76 A CB -0.338 18.620 19.000 -0.070 0.000 1.026 76 A HN 0.990 nan 8.150 nan 0.000 0.499 77 M N -0.332 119.237 119.600 -0.052 0.000 2.461 77 M HA -0.202 4.273 4.480 -0.009 0.000 0.203 77 M C 0.614 176.965 176.300 0.085 0.000 0.428 77 M CA 1.155 56.451 55.300 -0.007 0.000 0.509 77 M CB -1.524 31.087 32.600 0.020 0.000 1.851 77 M HN 1.001 nan 8.290 nan 0.000 0.834 78 R N 0.275 120.776 120.500 0.003 0.000 3.333 78 R HA -0.214 4.121 4.340 -0.009 0.000 0.256 78 R C -0.611 175.767 176.300 0.131 0.000 1.010 78 R CA 1.243 57.321 56.100 -0.037 0.000 0.680 78 R CB -1.306 28.953 30.300 -0.069 0.000 1.102 78 R HN 0.679 nan 8.270 nan 0.000 0.440 79 H N -0.343 118.668 119.070 -0.097 0.000 2.552 79 H HA 0.297 4.847 4.556 -0.010 0.000 0.311 79 H C -0.949 174.273 175.328 -0.178 0.000 1.071 79 H CA -0.274 55.723 56.048 -0.085 0.000 1.307 79 H CB 0.448 30.127 29.762 -0.139 0.000 1.416 79 H HN 0.256 nan 8.280 nan 0.000 0.464 80 W N 6.359 127.282 121.300 -0.629 0.000 2.367 80 W HA 0.292 4.946 4.660 -0.011 0.000 0.329 80 W C 0.330 176.539 176.519 -0.517 0.000 1.066 80 W CA -0.758 56.321 57.345 -0.444 0.000 1.435 80 W CB 0.305 29.555 29.460 -0.351 0.000 1.296 80 W HN 0.445 nan 8.180 nan 0.000 0.401 81 R N 4.637 125.086 120.500 -0.086 0.000 2.216 81 R HA 0.467 4.802 4.340 -0.009 0.000 0.332 81 R C -0.854 175.572 176.300 0.211 0.000 1.056 81 R CA -0.127 56.020 56.100 0.077 0.000 0.901 81 R CB 0.125 30.535 30.300 0.183 0.000 1.039 81 R HN 0.564 nan 8.270 nan 0.000 0.456 82 I N 7.314 127.948 120.570 0.106 0.000 2.439 82 I HA 0.308 4.472 4.170 -0.009 0.000 0.285 82 I C -2.225 173.879 176.117 -0.021 0.000 1.021 82 I CA -2.743 58.598 61.300 0.069 0.000 1.091 82 I CB 2.389 40.353 38.000 -0.060 0.000 1.242 82 I HN 0.472 nan 8.210 nan 0.000 0.439 83 P HA 0.153 nan 4.420 nan 0.000 0.271 83 P C -2.120 175.115 177.300 -0.109 0.000 1.233 83 P CA -1.173 61.838 63.100 -0.149 0.000 0.764 83 P CB 0.308 31.816 31.700 -0.320 0.000 0.825 84 P HA -0.197 nan 4.420 nan 0.000 0.215 84 P C 1.147 178.401 177.300 -0.077 0.000 1.157 84 P CA 1.551 64.594 63.100 -0.095 0.000 0.874 84 P CB -0.063 31.581 31.700 -0.093 0.000 0.790 85 E N -0.362 119.795 120.200 -0.072 0.000 2.401 85 E HA -0.093 4.252 4.350 -0.009 0.000 0.199 85 E C 1.822 178.396 176.600 -0.044 0.000 1.023 85 E CA 1.130 57.496 56.400 -0.055 0.000 0.859 85 E CB -0.688 28.980 29.700 -0.053 0.000 0.780 85 E HN 0.385 nan 8.360 nan 0.000 0.523 86 S N -0.035 115.636 115.700 -0.049 0.000 2.527 86 S HA 0.037 4.501 4.470 -0.009 0.000 0.222 86 S C 1.021 175.654 174.600 0.054 0.000 0.985 86 S CA -0.245 57.943 58.200 -0.019 0.000 0.921 86 S CB -0.264 62.901 63.200 -0.058 0.000 0.772 86 S HN 0.058 nan 8.310 nan 0.000 0.529 87 I N 2.387 122.989 120.570 0.053 0.000 2.416 87 I HA 0.288 4.452 4.170 -0.009 0.000 0.288 87 I C -0.786 175.384 176.117 0.089 0.000 1.051 87 I CA -0.483 60.886 61.300 0.114 0.000 1.375 87 I CB 1.302 39.327 38.000 0.042 0.000 1.407 87 I HN -0.014 nan 8.210 nan 0.000 0.516 88 V N 7.243 127.228 119.914 0.118 0.000 2.443 88 V HA 0.277 4.392 4.120 -0.009 0.000 0.293 88 V C -0.017 176.078 176.094 0.002 0.000 1.021 88 V CA -0.797 61.531 62.300 0.047 0.000 0.848 88 V CB 1.671 33.511 31.823 0.029 0.000 0.998 88 V HN 0.636 nan 8.190 nan 0.000 0.424 89 K N 3.610 123.955 120.400 -0.091 0.000 2.183 89 K HA 0.716 5.031 4.320 -0.009 0.000 0.274 89 K C -0.203 176.277 176.600 -0.201 0.000 1.009 89 K CA -0.222 55.874 56.287 -0.318 0.000 0.888 89 K CB 1.396 33.639 32.500 -0.428 0.000 1.078 89 K HN 0.837 nan 8.250 nan 0.000 0.459 90 T N -0.821 113.607 114.554 -0.211 0.000 2.906 90 T HA 0.483 4.828 4.350 -0.009 0.000 0.295 90 T C -0.799 173.830 174.700 -0.118 0.000 1.061 90 T CA -0.879 61.149 62.100 -0.120 0.000 1.000 90 T CB 1.668 70.498 68.868 -0.065 0.000 1.103 90 T HN 0.181 nan 8.240 nan 0.000 0.486 91 V N 1.920 121.793 119.914 -0.068 0.000 2.380 91 V HA 0.673 4.787 4.120 -0.009 0.000 0.286 91 V C 0.687 176.769 176.094 -0.019 0.000 1.015 91 V CA -0.230 62.046 62.300 -0.040 0.000 0.834 91 V CB 0.177 31.984 31.823 -0.025 0.000 1.009 91 V HN 1.706 nan 8.190 nan 0.000 0.428 92 A N 4.039 126.852 122.820 -0.011 0.000 2.610 92 A HA 0.076 4.391 4.320 -0.009 0.000 0.299 92 A C 1.732 179.312 177.584 -0.007 0.000 1.487 92 A CA 1.289 53.324 52.037 -0.003 0.000 0.743 92 A CB -1.474 17.527 19.000 0.002 0.000 1.070 92 A HN 2.584 nan 8.150 nan 0.000 0.439 93 G N -3.336 105.457 108.800 -0.011 0.000 2.184 93 G HA2 -0.028 3.927 3.960 -0.009 0.000 0.264 93 G HA3 -0.028 3.927 3.960 -0.009 0.000 0.264 93 G C 0.367 175.258 174.900 -0.014 0.000 0.975 93 G CA 0.602 45.695 45.100 -0.011 0.000 0.642 93 G HN 1.958 nan 8.290 nan 0.000 0.536 94 V N 1.848 121.752 119.914 -0.018 0.000 2.398 94 V HA 0.499 4.613 4.120 -0.009 0.000 0.286 94 V C -1.790 174.288 176.094 -0.027 0.000 1.026 94 V CA -1.933 60.357 62.300 -0.017 0.000 0.868 94 V CB 1.736 33.553 31.823 -0.011 0.000 0.982 94 V HN 0.067 nan 8.190 nan 0.000 0.443 95 P HA 0.266 nan 4.420 nan 0.000 0.264 95 P C -0.596 176.688 177.300 -0.027 0.000 1.183 95 P CA 0.446 63.529 63.100 -0.028 0.000 0.763 95 P CB 0.532 32.222 31.700 -0.017 0.000 0.807 96 A N 4.488 127.285 122.820 -0.038 0.000 2.486 96 A HA 0.702 5.017 4.320 -0.009 0.000 0.300 96 A C -2.730 174.843 177.584 -0.017 0.000 1.048 96 A CA -1.569 50.453 52.037 -0.025 0.000 0.696 96 A CB 1.033 20.011 19.000 -0.037 0.000 1.278 96 A HN 0.342 nan 8.150 nan 0.000 0.405 97 P HA 0.288 nan 4.420 nan 0.000 0.271 97 P C -0.542 176.781 177.300 0.038 0.000 1.218 97 P CA -0.065 63.049 63.100 0.024 0.000 0.780 97 P CB 0.518 32.245 31.700 0.045 0.000 0.901 98 L N 2.574 123.816 121.223 0.032 0.000 2.462 98 L HA 0.171 4.506 4.340 -0.009 0.000 0.272 98 L C 0.807 177.701 176.870 0.041 0.000 1.166 98 L CA 0.715 55.587 54.840 0.053 0.000 0.880 98 L CB -0.076 41.986 42.059 0.006 0.000 1.142 98 L HN 0.419 nan 8.230 nan 0.000 0.473 99 D N 2.284 122.740 120.400 0.093 0.000 2.602 99 D HA 0.327 4.962 4.640 -0.009 0.000 0.245 99 D C 0.320 176.693 176.300 0.122 0.000 1.325 99 D CA -0.352 53.705 54.000 0.095 0.000 0.952 99 D CB 2.121 43.011 40.800 0.150 0.000 1.317 99 D HN 0.505 nan 8.370 nan 0.000 0.577 100 A N 3.670 126.509 122.820 0.031 0.000 1.897 100 A HA -0.103 4.212 4.320 -0.009 0.000 0.215 100 A C 1.903 179.584 177.584 0.161 0.000 1.181 100 A CA 0.783 52.860 52.037 0.068 0.000 0.620 100 A CB -0.309 18.656 19.000 -0.059 0.000 0.821 100 A HN 0.540 nan 8.150 nan 0.000 0.443 101 L N -0.318 120.981 121.223 0.127 0.000 2.042 101 L HA -0.209 4.126 4.340 -0.009 0.000 0.210 101 L C 2.489 179.454 176.870 0.159 0.000 1.076 101 L CA 2.697 57.620 54.840 0.140 0.000 0.749 101 L CB -0.689 41.461 42.059 0.152 0.000 0.893 101 L HN 0.490 nan 8.230 nan 0.000 0.432 102 Q N -1.210 118.700 119.800 0.183 0.000 2.124 102 Q HA -0.253 4.082 4.340 -0.009 0.000 0.202 102 Q C 2.084 178.221 176.000 0.228 0.000 0.977 102 Q CA 2.013 57.928 55.803 0.186 0.000 0.850 102 Q CB -0.653 28.198 28.738 0.189 0.000 0.901 102 Q HN 0.532 nan 8.270 nan 0.000 0.429 103 F N -0.376 119.650 119.950 0.127 0.000 2.069 103 F HA -0.198 4.325 4.527 -0.007 0.000 0.298 103 F C 1.903 177.747 175.800 0.073 0.000 1.113 103 F CA 1.588 59.644 58.000 0.092 0.000 1.214 103 F CB -0.687 38.302 39.000 -0.020 0.000 0.978 103 F HN -0.033 nan 8.300 nan 0.000 0.474 104 V N 1.043 120.973 119.914 0.026 0.000 2.324 104 V HA -0.350 3.764 4.120 -0.009 0.000 0.250 104 V C 2.501 178.555 176.094 -0.066 0.000 1.060 104 V CA 2.255 64.537 62.300 -0.030 0.000 1.042 104 V CB -0.720 31.211 31.823 0.179 0.000 0.650 104 V HN 0.420 nan 8.190 nan 0.000 0.450 105 I N -0.281 120.292 120.570 0.005 0.000 2.226 105 I HA -0.261 3.904 4.170 -0.009 0.000 0.245 105 I C 2.468 178.562 176.117 -0.037 0.000 1.100 105 I CA 1.686 62.989 61.300 0.005 0.000 1.374 105 I CB -0.405 37.624 38.000 0.047 0.000 1.057 105 I HN 0.353 nan 8.210 nan 0.000 0.413 106 E N 0.711 120.884 120.200 -0.046 0.000 2.265 106 E HA -0.165 4.179 4.350 -0.009 0.000 0.196 106 E C 1.582 178.100 176.600 -0.136 0.000 0.996 106 E CA 1.045 57.421 56.400 -0.041 0.000 0.832 106 E CB -0.028 29.714 29.700 0.070 0.000 0.756 106 E HN 0.680 nan 8.360 nan 0.000 0.491 107 I N -1.704 118.703 120.570 -0.272 0.000 3.927 107 I HA 0.196 4.360 4.170 -0.009 0.000 0.332 107 I C 1.762 177.742 176.117 -0.229 0.000 1.485 107 I CA -0.457 60.662 61.300 -0.301 0.000 1.131 107 I CB 0.248 37.934 38.000 -0.522 0.000 1.092 107 I HN -0.117 nan 8.210 nan 0.000 0.410 108 R N 0.759 121.168 120.500 -0.152 0.000 2.117 108 R HA -0.179 4.156 4.340 -0.009 0.000 0.243 108 R C 0.844 177.077 176.300 -0.112 0.000 1.143 108 R CA 2.072 58.103 56.100 -0.115 0.000 0.968 108 R CB -0.838 29.427 30.300 -0.058 0.000 0.863 108 R HN 0.347 nan 8.270 nan 0.000 0.444 109 D N 1.302 121.646 120.400 -0.093 0.000 2.117 109 D HA -0.105 4.529 4.640 -0.009 0.000 0.198 109 D C 1.728 177.971 176.300 -0.095 0.000 0.982 109 D CA 1.343 55.297 54.000 -0.077 0.000 0.828 109 D CB -0.139 40.630 40.800 -0.052 0.000 0.967 109 D HN 0.393 nan 8.370 nan 0.000 0.464 110 K N 0.337 120.664 120.400 -0.122 0.000 2.211 110 K HA -0.001 4.314 4.320 -0.009 0.000 0.203 110 K C 2.269 178.758 176.600 -0.185 0.000 1.050 110 K CA 0.344 56.548 56.287 -0.137 0.000 0.945 110 K CB 0.011 32.419 32.500 -0.153 0.000 0.732 110 K HN 0.150 nan 8.250 nan 0.000 0.451 111 L N 0.006 121.089 121.223 -0.233 0.000 2.141 111 L HA -0.031 4.304 4.340 -0.009 0.000 0.209 111 L C 1.007 177.752 176.870 -0.208 0.000 1.094 111 L CA 0.747 55.415 54.840 -0.286 0.000 0.763 111 L CB -0.606 41.261 42.059 -0.320 0.000 0.908 111 L HN 0.418 nan 8.230 nan 0.000 0.437 112 G N 1.259 109.970 108.800 -0.148 0.000 2.353 112 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.294 112 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.294 112 G C -0.649 174.187 174.900 -0.107 0.000 1.077 112 G CA -0.278 44.758 45.100 -0.107 0.000 1.098 112 G HN 0.070 nan 8.290 nan 0.000 0.511 113 L N 1.911 123.071 121.223 -0.104 0.000 2.313 113 L HA 0.567 4.901 4.340 -0.009 0.000 0.283 113 L C -1.506 175.334 176.870 -0.050 0.000 1.013 113 L CA -2.234 52.553 54.840 -0.089 0.000 0.816 113 L CB 1.521 43.516 42.059 -0.107 0.000 1.236 113 L HN 0.084 nan 8.230 nan 0.000 0.419 114 P HA -0.010 nan 4.420 nan 0.000 0.264 114 P C 0.118 177.413 177.300 -0.009 0.000 1.193 114 P CA -0.135 62.955 63.100 -0.018 0.000 0.763 114 P CB 0.591 32.285 31.700 -0.010 0.000 0.810 115 V N 4.161 124.072 119.914 -0.005 0.000 2.085 115 V HA -0.017 4.098 4.120 -0.009 0.000 0.282 115 V C 1.113 177.214 176.094 0.011 0.000 1.787 115 V CA 1.309 63.611 62.300 0.002 0.000 1.715 115 V CB -1.539 30.284 31.823 0.000 0.000 1.501 115 V HN 0.784 nan 8.190 nan 0.000 0.506 116 D N -0.330 120.079 120.400 0.015 0.000 1.996 116 D HA -0.048 4.587 4.640 -0.009 0.000 0.613 116 D C 1.493 177.810 176.300 0.028 0.000 0.806 116 D CA -0.428 53.584 54.000 0.021 0.000 1.127 116 D CB 0.161 40.971 40.800 0.017 0.000 1.417 116 D HN 0.375 nan 8.370 nan 0.000 0.450 117 R N 0.356 120.872 120.500 0.026 0.000 2.210 117 R HA 0.178 4.513 4.340 -0.009 0.000 0.203 117 R C 2.269 178.607 176.300 0.064 0.000 1.010 117 R CA 0.138 56.261 56.100 0.038 0.000 1.008 117 R CB 0.158 30.471 30.300 0.022 0.000 0.923 117 R HN 0.062 nan 8.270 nan 0.000 0.469 118 L N 2.678 123.931 121.223 0.049 0.000 1.990 118 L HA -0.108 4.226 4.340 -0.009 0.000 0.213 118 L C -1.023 175.913 176.870 0.110 0.000 1.072 118 L CA 2.114 56.998 54.840 0.075 0.000 0.755 118 L CB -0.986 41.096 42.059 0.039 0.000 0.889 118 L HN 0.028 nan 8.230 nan 0.000 0.432 119 P HA -0.157 nan 4.420 nan 0.000 0.220 119 P C 2.070 179.411 177.300 0.068 0.000 1.148 119 P CA 1.686 64.826 63.100 0.066 0.000 0.803 119 P CB -0.122 31.605 31.700 0.046 0.000 0.782 120 I N -1.538 119.078 120.570 0.076 0.000 2.179 120 I HA -0.266 3.899 4.170 -0.009 0.000 0.242 120 I C 2.786 178.959 176.117 0.094 0.000 1.088 120 I CA 1.666 63.009 61.300 0.071 0.000 1.357 120 I CB -1.019 37.022 38.000 0.068 0.000 1.051 120 I HN -0.119 nan 8.210 nan 0.000 0.409 121 Y N 1.521 121.830 120.300 0.015 0.000 2.181 121 Y HA -0.262 4.282 4.550 -0.009 0.000 0.288 121 Y C 2.713 178.636 175.900 0.038 0.000 1.146 121 Y CA 1.675 59.790 58.100 0.025 0.000 1.164 121 Y CB -0.112 38.363 38.460 0.025 0.000 0.982 121 Y HN -0.001 nan 8.280 nan 0.000 0.515 122 M N -0.106 119.534 119.600 0.066 0.000 2.082 122 M HA -0.298 4.177 4.480 -0.009 0.000 0.258 122 M C 1.569 177.850 176.300 -0.031 0.000 1.069 122 M CA 2.004 57.310 55.300 0.009 0.000 1.102 122 M CB -0.418 32.222 32.600 0.066 0.000 1.336 122 M HN 0.214 nan 8.290 nan 0.000 0.404 123 D N 0.185 120.577 120.400 -0.013 0.000 2.144 123 D HA -0.124 4.511 4.640 -0.009 0.000 0.200 123 D C 1.935 178.204 176.300 -0.052 0.000 0.978 123 D CA 1.136 55.126 54.000 -0.015 0.000 0.833 123 D CB -0.250 40.549 40.800 -0.002 0.000 0.961 123 D HN 0.472 nan 8.370 nan 0.000 0.470 124 E N 0.279 120.417 120.200 -0.104 0.000 2.077 124 E HA -0.132 4.212 4.350 -0.009 0.000 0.193 124 E C 2.192 178.694 176.600 -0.165 0.000 0.989 124 E CA 0.431 56.745 56.400 -0.144 0.000 0.800 124 E CB 0.097 29.688 29.700 -0.181 0.000 0.746 124 E HN 0.246 nan 8.360 nan 0.000 0.452 125 I N 1.388 121.810 120.570 -0.247 0.000 2.163 125 I HA -0.228 3.937 4.170 -0.009 0.000 0.243 125 I C 2.400 178.492 176.117 -0.042 0.000 1.085 125 I CA 1.486 62.682 61.300 -0.173 0.000 1.347 125 I CB -1.417 36.477 38.000 -0.177 0.000 1.044 125 I HN 0.116 nan 8.210 nan 0.000 0.408 126 T N 0.148 114.711 114.554 0.015 0.000 2.720 126 T HA -0.182 4.163 4.350 -0.009 0.000 0.268 126 T C 2.147 176.941 174.700 0.157 0.000 1.037 126 T CA 2.002 64.182 62.100 0.134 0.000 1.144 126 T CB -0.249 68.697 68.868 0.131 0.000 0.864 126 T HN 0.310 nan 8.240 nan 0.000 0.444 127 S N 0.169 115.905 115.700 0.059 0.000 2.383 127 S HA -0.132 4.333 4.470 -0.009 0.000 0.227 127 S C 2.211 176.880 174.600 0.116 0.000 1.026 127 S CA 1.727 59.956 58.200 0.049 0.000 0.981 127 S CB -0.701 62.482 63.200 -0.028 0.000 0.818 127 S HN 0.522 nan 8.310 nan 0.000 0.472 128 T N 2.686 117.272 114.554 0.053 0.000 2.746 128 T HA -0.008 4.336 4.350 -0.009 0.000 0.267 128 T C 1.692 176.425 174.700 0.056 0.000 1.039 128 T CA 1.522 63.649 62.100 0.045 0.000 1.142 128 T CB -0.388 68.471 68.868 -0.016 0.000 0.866 128 T HN 0.320 nan 8.240 nan 0.000 0.444 129 L N 0.343 121.580 121.223 0.024 0.000 2.056 129 L HA -0.124 4.211 4.340 -0.009 0.000 0.207 129 L C 2.708 179.654 176.870 0.127 0.000 1.078 129 L CA 1.469 56.250 54.840 -0.098 0.000 0.749 129 L CB -0.680 41.163 42.059 -0.361 0.000 0.901 129 L HN 0.431 nan 8.230 nan 0.000 0.433 130 H N 0.296 119.522 119.070 0.260 0.000 2.352 130 H HA -0.150 4.401 4.556 -0.008 0.000 0.299 130 H C 1.942 177.398 175.328 0.213 0.000 1.097 130 H CA 1.949 58.205 56.048 0.347 0.000 1.311 130 H CB -0.123 29.748 29.762 0.183 0.000 1.377 130 H HN 0.303 nan 8.280 nan 0.000 0.504 131 G N -0.188 108.761 108.800 0.248 0.000 2.404 131 G HA2 -0.279 3.675 3.960 -0.009 0.000 0.215 131 G HA3 -0.279 3.675 3.960 -0.009 0.000 0.215 131 G C 2.064 177.096 174.900 0.220 0.000 1.174 131 G CA 1.060 46.294 45.100 0.223 0.000 0.780 131 G HN 0.519 nan 8.290 nan 0.000 0.537 132 S N 0.916 116.721 115.700 0.174 0.000 2.370 132 S HA -0.063 4.402 4.470 -0.009 0.000 0.226 132 S C 2.737 177.462 174.600 0.208 0.000 1.033 132 S CA 1.828 60.136 58.200 0.179 0.000 1.011 132 S CB -0.542 62.681 63.200 0.038 0.000 0.852 132 S HN 0.587 nan 8.310 nan 0.000 0.457 133 A N 0.068 122.985 122.820 0.163 0.000 1.908 133 A HA -0.116 4.198 4.320 -0.009 0.000 0.218 133 A C 2.060 179.800 177.584 0.260 0.000 1.181 133 A CA 1.871 54.044 52.037 0.227 0.000 0.627 133 A CB -1.279 17.954 19.000 0.389 0.000 0.818 133 A HN 0.802 nan 8.150 nan 0.000 0.445 134 Y N 0.552 120.899 120.300 0.078 0.000 2.200 134 Y HA -0.171 4.375 4.550 -0.007 0.000 0.290 134 Y C 2.234 178.165 175.900 0.050 0.000 1.137 134 Y CA 2.290 60.353 58.100 -0.061 0.000 1.163 134 Y CB -0.178 38.060 38.460 -0.370 0.000 0.988 134 Y HN 0.273 nan 8.280 nan 0.000 0.518 135 K N -1.021 119.508 120.400 0.215 0.000 2.097 135 K HA -0.155 4.160 4.320 -0.009 0.000 0.205 135 K C 1.946 178.541 176.600 -0.008 0.000 1.050 135 K CA 1.487 57.843 56.287 0.114 0.000 0.938 135 K CB -0.294 32.303 32.500 0.162 0.000 0.718 135 K HN 0.494 nan 8.250 nan 0.000 0.442 136 H N -1.164 117.905 119.070 -0.002 0.000 2.470 136 H HA 0.014 4.564 4.556 -0.011 0.000 0.289 136 H C 2.011 177.316 175.328 -0.037 0.000 1.033 136 H CA 1.238 57.275 56.048 -0.017 0.000 1.331 136 H CB 0.403 30.159 29.762 -0.009 0.000 1.414 136 H HN 0.330 nan 8.280 nan 0.000 0.545 137 G N 1.178 110.008 108.800 0.051 0.000 2.603 137 G HA2 -0.080 3.875 3.960 -0.009 0.000 0.214 137 G HA3 -0.080 3.875 3.960 -0.009 0.000 0.214 137 G C 0.939 175.774 174.900 -0.109 0.000 1.140 137 G CA -0.431 44.663 45.100 -0.010 0.000 0.800 137 G HN 0.309 nan 8.290 nan 0.000 0.533 138 R N 0.338 120.702 120.500 -0.227 0.000 2.738 138 R HA 0.338 4.673 4.340 -0.009 0.000 0.268 138 R C -0.847 175.376 176.300 -0.129 0.000 1.062 138 R CA -0.195 55.744 56.100 -0.268 0.000 1.158 138 R CB -0.115 29.930 30.300 -0.426 0.000 1.046 138 R HN -0.124 nan 8.270 nan 0.000 0.493 139 T N 1.839 116.335 114.554 -0.096 0.000 2.834 139 T HA 0.169 4.514 4.350 -0.009 0.000 0.298 139 T C -0.218 174.453 174.700 -0.048 0.000 0.966 139 T CA 0.312 62.379 62.100 -0.055 0.000 1.141 139 T CB 0.784 69.630 68.868 -0.036 0.000 0.905 139 T HN 0.610 nan 8.240 nan 0.000 0.535 140 T N 2.924 117.455 114.554 -0.039 0.000 2.840 140 T HA 0.472 4.817 4.350 -0.009 0.000 0.317 140 T C -0.840 173.846 174.700 -0.023 0.000 1.401 140 T CA -0.808 61.273 62.100 -0.032 0.000 1.028 140 T CB 0.690 69.536 68.868 -0.036 0.000 1.317 140 T HN 0.419 nan 8.240 nan 0.000 0.495 141 L N 2.875 124.085 121.223 -0.022 0.000 2.456 141 L HA 0.456 4.791 4.340 -0.009 0.000 0.272 141 L C 1.596 178.466 176.870 -0.000 0.000 1.189 141 L CA -0.313 54.517 54.840 -0.017 0.000 0.846 141 L CB 0.249 42.292 42.059 -0.026 0.000 1.111 141 L HN 0.809 nan 8.230 nan 0.000 0.475 142 G N 1.127 109.927 108.800 -0.000 0.000 2.621 142 G HA2 0.339 4.293 3.960 -0.009 0.000 0.271 142 G HA3 0.339 4.293 3.960 -0.009 0.000 0.271 142 G C 0.945 175.857 174.900 0.021 0.000 1.236 142 G CA 0.094 45.200 45.100 0.009 0.000 0.958 142 G HN 0.852 nan 8.290 nan 0.000 0.512 143 A N 0.137 122.973 122.820 0.026 0.000 1.892 143 A HA 0.012 4.327 4.320 -0.009 0.000 0.218 143 A C 2.804 180.390 177.584 0.003 0.000 1.188 143 A CA 3.020 55.077 52.037 0.032 0.000 0.631 143 A CB -1.073 17.930 19.000 0.006 0.000 0.822 143 A HN 1.402 nan 8.150 nan 0.000 0.447 144 A N -0.395 122.420 122.820 -0.010 0.000 1.865 144 A HA 0.109 4.423 4.320 -0.009 0.000 0.217 144 A C 2.549 180.125 177.584 -0.012 0.000 1.191 144 A CA 2.531 54.558 52.037 -0.016 0.000 0.623 144 A CB -1.126 17.864 19.000 -0.017 0.000 0.826 144 A HN 1.178 nan 8.150 nan 0.000 0.444 145 A N -1.111 121.703 122.820 -0.010 0.000 1.929 145 A HA 0.059 4.374 4.320 -0.009 0.000 0.216 145 A C 2.100 179.675 177.584 -0.016 0.000 1.176 145 A CA 1.605 53.636 52.037 -0.011 0.000 0.628 145 A CB -0.543 18.450 19.000 -0.011 0.000 0.816 145 A HN 0.522 nan 8.150 nan 0.000 0.444 146 L N -0.159 121.052 121.223 -0.021 0.000 2.083 146 L HA -0.039 4.296 4.340 -0.009 0.000 0.209 146 L C 2.691 179.540 176.870 -0.034 0.000 1.083 146 L CA 1.895 56.709 54.840 -0.043 0.000 0.752 146 L CB -0.740 41.275 42.059 -0.074 0.000 0.899 146 L HN 0.357 nan 8.230 nan 0.000 0.433 147 A N -0.518 122.290 122.820 -0.020 0.000 2.070 147 A HA -0.132 4.183 4.320 -0.009 0.000 0.220 147 A C 2.343 179.931 177.584 0.007 0.000 1.159 147 A CA 1.820 53.851 52.037 -0.010 0.000 0.656 147 A CB -0.781 18.206 19.000 -0.021 0.000 0.800 147 A HN 0.452 nan 8.150 nan 0.000 0.453 148 R N -0.947 119.554 120.500 0.003 0.000 2.432 148 R HA 0.718 5.053 4.340 -0.009 0.000 0.260 148 R C 0.799 177.105 176.300 0.011 0.000 0.935 148 R CA 0.815 56.922 56.100 0.012 0.000 1.080 148 R CB -1.289 29.016 30.300 0.008 0.000 1.155 148 R HN 0.809 nan 8.270 nan 0.000 0.531 149 A N 1.629 124.450 122.820 0.002 0.000 2.257 149 A HA 0.504 4.818 4.320 -0.009 0.000 0.289 149 A C -0.072 177.519 177.584 0.012 0.000 1.095 149 A CA -0.089 51.946 52.037 -0.003 0.000 0.836 149 A CB 0.313 19.298 19.000 -0.025 0.000 1.111 149 A HN 0.623 nan 8.150 nan 0.000 0.497 150 D N -0.556 119.850 120.400 0.010 0.000 2.371 150 D HA -0.063 4.572 4.640 -0.009 0.000 0.242 150 D C 0.996 177.323 176.300 0.045 0.000 1.218 150 D CA -0.074 53.947 54.000 0.034 0.000 0.945 150 D CB 0.151 40.966 40.800 0.025 0.000 1.137 150 D HN 0.648 nan 8.370 nan 0.000 0.464 151 Y N 0.138 120.392 120.300 -0.077 0.000 2.069 151 Y HA -0.330 4.214 4.550 -0.010 0.000 0.278 151 Y C 2.304 178.107 175.900 -0.161 0.000 1.175 151 Y CA 1.800 59.831 58.100 -0.114 0.000 1.134 151 Y CB 0.158 38.532 38.460 -0.145 0.000 0.965 151 Y HN 0.262 nan 8.280 nan 0.000 0.498 152 Q N -0.581 118.958 119.800 -0.435 0.000 2.245 152 Q HA -0.096 4.239 4.340 -0.009 0.000 0.201 152 Q C 2.215 178.054 176.000 -0.267 0.000 0.955 152 Q CA 1.621 57.109 55.803 -0.525 0.000 0.870 152 Q CB -0.372 28.077 28.738 -0.482 0.000 0.945 152 Q HN 0.509 nan 8.270 nan 0.000 0.461 153 T N 1.676 116.135 114.554 -0.159 0.000 2.746 153 T HA -0.074 4.270 4.350 -0.009 0.000 0.267 153 T C 2.010 176.635 174.700 -0.125 0.000 1.039 153 T CA 0.909 62.945 62.100 -0.107 0.000 1.142 153 T CB -0.156 68.673 68.868 -0.065 0.000 0.866 153 T HN 0.196 nan 8.240 nan 0.000 0.444 154 I N 0.742 121.236 120.570 -0.126 0.000 2.226 154 I HA -0.153 4.012 4.170 -0.009 0.000 0.245 154 I C 2.698 178.719 176.117 -0.160 0.000 1.100 154 I CA 1.243 62.463 61.300 -0.134 0.000 1.374 154 I CB -0.333 37.626 38.000 -0.069 0.000 1.057 154 I HN 0.206 nan 8.210 nan 0.000 0.413 155 E N 1.128 121.206 120.200 -0.203 0.000 2.058 155 E HA -0.243 4.101 4.350 -0.009 0.000 0.194 155 E C 2.084 178.601 176.600 -0.137 0.000 0.997 155 E CA 2.432 58.711 56.400 -0.203 0.000 0.801 155 E CB -0.218 29.262 29.700 -0.366 0.000 0.746 155 E HN 0.536 nan 8.360 nan 0.000 0.450 156 T N -2.722 111.754 114.554 -0.130 0.000 3.085 156 T HA 0.094 4.439 4.350 -0.009 0.000 0.263 156 T C 1.696 176.365 174.700 -0.052 0.000 1.127 156 T CA 0.804 62.861 62.100 -0.071 0.000 1.103 156 T CB -0.015 68.823 68.868 -0.051 0.000 0.921 156 T HN -0.024 nan 8.240 nan 0.000 0.510 157 S N 0.947 116.591 115.700 -0.094 0.000 2.524 157 S HA 0.341 4.806 4.470 -0.009 0.000 0.216 157 S C 0.733 175.262 174.600 -0.118 0.000 0.987 157 S CA -0.291 57.848 58.200 -0.102 0.000 0.909 157 S CB -0.246 62.865 63.200 -0.149 0.000 0.781 157 S HN 0.369 nan 8.310 nan 0.000 0.521 158 M N 1.255 120.785 119.600 -0.117 0.000 2.245 158 M HA 0.123 4.598 4.480 -0.009 0.000 0.335 158 M C 0.958 177.310 176.300 0.088 0.000 1.155 158 M CA 0.654 55.946 55.300 -0.013 0.000 1.055 158 M CB -0.443 32.152 32.600 -0.008 0.000 1.670 158 M HN 0.170 nan 8.290 nan 0.000 0.447 159 I N 0.374 121.042 120.570 0.163 0.000 3.873 159 I HA -0.049 4.116 4.170 -0.009 0.000 0.284 159 I C 1.829 177.991 176.117 0.075 0.000 1.186 159 I CA 0.154 61.511 61.300 0.095 0.000 1.362 159 I CB 0.042 38.045 38.000 0.006 0.000 1.432 159 I HN 0.620 nan 8.210 nan 0.000 0.454 160 E N 1.576 121.811 120.200 0.060 0.000 2.051 160 E HA 0.023 4.368 4.350 -0.009 0.000 0.192 160 E C 1.136 177.758 176.600 0.037 0.000 0.991 160 E CA 1.435 57.852 56.400 0.028 0.000 0.799 160 E CB -0.319 29.373 29.700 -0.013 0.000 0.748 160 E HN 0.446 nan 8.360 nan 0.000 0.449 161 G N -0.549 108.275 108.800 0.039 0.000 2.632 161 G HA2 -0.321 3.633 3.960 -0.009 0.000 0.224 161 G HA3 -0.321 3.633 3.960 -0.009 0.000 0.224 161 G C -0.659 174.269 174.900 0.047 0.000 1.341 161 G CA -0.067 45.060 45.100 0.045 0.000 0.880 161 G HN 0.513 nan 8.290 nan 0.000 0.566 162 H N 3.100 122.171 119.070 0.002 0.000 3.107 162 H HA 0.175 4.725 4.556 -0.009 0.000 0.301 162 H C -0.781 174.538 175.328 -0.015 0.000 0.981 162 H CA -0.223 55.843 56.048 0.029 0.000 1.443 162 H CB 1.234 31.105 29.762 0.182 0.000 1.479 162 H HN 0.267 nan 8.280 nan 0.000 0.564 163 P HA -0.006 nan 4.420 nan 0.000 0.241 163 P C 0.774 177.854 177.300 -0.367 0.000 1.191 163 P CA 0.444 63.317 63.100 -0.377 0.000 0.771 163 P CB 0.659 31.889 31.700 -0.784 0.000 0.929 164 S N -1.042 114.721 115.700 0.105 0.000 2.506 164 S HA 0.179 4.644 4.470 -0.009 0.000 0.230 164 S C 0.543 175.144 174.600 0.002 0.000 1.066 164 S CA -0.188 58.084 58.200 0.119 0.000 0.940 164 S CB -0.486 62.825 63.200 0.185 0.000 0.818 164 S HN 0.040 nan 8.310 nan 0.000 0.518 165 F N 2.065 122.079 119.950 0.107 0.000 2.541 165 F HA 0.093 4.615 4.527 -0.009 0.000 0.378 165 F C 1.439 177.250 175.800 0.019 0.000 1.068 165 F CA -0.406 57.596 58.000 0.003 0.000 1.199 165 F CB 0.495 39.417 39.000 -0.130 0.000 1.091 165 F HN -0.138 nan 8.300 nan 0.000 0.555 166 V N 3.120 123.154 119.914 0.199 0.000 2.244 166 V HA -0.204 3.911 4.120 -0.009 0.000 0.244 166 V C 1.647 177.789 176.094 0.080 0.000 1.042 166 V CA 1.750 64.096 62.300 0.077 0.000 1.006 166 V CB -0.676 31.155 31.823 0.015 0.000 0.641 166 V HN 0.812 nan 8.190 nan 0.000 0.446 167 A N 2.105 124.997 122.820 0.119 0.000 3.091 167 A HA 0.180 4.495 4.320 -0.009 0.000 0.264 167 A C 1.152 178.737 177.584 0.002 0.000 1.673 167 A CA 0.084 52.104 52.037 -0.028 0.000 1.362 167 A CB -0.893 17.971 19.000 -0.227 0.000 1.137 167 A HN 0.687 nan 8.150 nan 0.000 0.617 168 N N -0.305 118.413 118.700 0.029 0.000 2.325 168 N HA -0.011 4.723 4.740 -0.009 0.000 0.182 168 N C -0.206 175.290 175.510 -0.022 0.000 1.088 168 N CA 0.257 53.319 53.050 0.020 0.000 0.879 168 N CB 0.101 38.667 38.487 0.132 0.000 0.983 168 N HN 0.316 nan 8.380 nan 0.000 0.471 169 N N 0.021 118.712 118.700 -0.016 0.000 2.553 169 N HA 0.221 4.956 4.740 -0.009 0.000 0.298 169 N C 0.890 176.391 175.510 -0.014 0.000 1.596 169 N CA 0.016 53.064 53.050 -0.003 0.000 0.910 169 N CB 0.852 39.369 38.487 0.051 0.000 1.336 169 N HN 0.335 nan 8.380 nan 0.000 0.497 170 G N 1.083 109.842 108.800 -0.069 0.000 2.421 170 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.216 170 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.216 170 G C 0.757 175.593 174.900 -0.107 0.000 1.171 170 G CA 0.289 45.338 45.100 -0.085 0.000 0.775 170 G HN 0.343 nan 8.290 nan 0.000 0.543 171 R N -0.960 119.424 120.500 -0.192 0.000 3.358 171 R HA -0.126 4.209 4.340 -0.009 0.000 0.248 171 R C -0.181 175.913 176.300 -0.343 0.000 0.981 171 R CA 0.220 56.100 56.100 -0.368 0.000 0.662 171 R CB -2.340 27.828 30.300 -0.219 0.000 1.037 171 R HN 0.412 nan 8.270 nan 0.000 0.460 172 L N -0.479 120.589 121.223 -0.259 0.000 2.367 172 L HA 0.353 4.687 4.340 -0.009 0.000 0.275 172 L C 1.738 178.490 176.870 -0.197 0.000 1.129 172 L CA 0.907 55.651 54.840 -0.159 0.000 0.839 172 L CB 0.952 42.952 42.059 -0.098 0.000 1.133 172 L HN 0.629 nan 8.230 nan 0.000 0.453 173 G N 2.807 111.578 108.800 -0.049 0.000 2.541 173 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.201 173 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.201 173 G C 0.203 175.312 174.900 0.348 0.000 1.026 173 G CA -0.656 44.510 45.100 0.112 0.000 0.687 173 G HN 0.413 nan 8.290 nan 0.000 0.492 174 F N 3.624 123.544 119.950 -0.049 0.000 2.506 174 F HA 0.359 4.880 4.527 -0.010 0.000 0.371 174 F C 1.304 177.206 175.800 0.170 0.000 1.078 174 F CA -0.408 57.642 58.000 0.084 0.000 1.195 174 F CB 0.555 39.558 39.000 0.006 0.000 1.099 174 F HN 0.406 nan 8.300 nan 0.000 0.548 175 D N 2.760 123.419 120.400 0.432 0.000 2.414 175 D HA 0.196 4.831 4.640 -0.009 0.000 0.259 175 D C 0.997 177.432 176.300 0.224 0.000 1.269 175 D CA -0.243 53.910 54.000 0.254 0.000 1.028 175 D CB 0.496 41.419 40.800 0.206 0.000 1.093 175 D HN 0.423 nan 8.370 nan 0.000 0.545 176 A N -0.513 122.406 122.820 0.165 0.000 1.972 176 A HA -0.198 4.117 4.320 -0.009 0.000 0.219 176 A C 1.949 179.708 177.584 0.292 0.000 1.169 176 A CA 1.613 53.772 52.037 0.203 0.000 0.635 176 A CB -0.843 18.262 19.000 0.174 0.000 0.810 176 A HN 0.683 nan 8.150 nan 0.000 0.446 177 E N -0.203 120.120 120.200 0.204 0.000 2.051 177 E HA -0.134 4.210 4.350 -0.009 0.000 0.189 177 E C 1.434 178.069 176.600 0.059 0.000 0.979 177 E CA 0.813 57.305 56.400 0.154 0.000 0.803 177 E CB -0.219 29.524 29.700 0.072 0.000 0.761 177 E HN 0.478 nan 8.360 nan 0.000 0.451 178 D N 0.632 121.078 120.400 0.076 0.000 2.133 178 D HA -0.235 4.400 4.640 -0.009 0.000 0.192 178 D C 1.724 177.819 176.300 -0.340 0.000 1.001 178 D CA 1.181 55.163 54.000 -0.031 0.000 0.844 178 D CB -0.517 40.425 40.800 0.236 0.000 0.944 178 D HN 0.202 nan 8.370 nan 0.000 0.447 179 Y N 1.312 121.476 120.300 -0.227 0.000 2.081 179 Y HA -0.301 4.243 4.550 -0.010 0.000 0.280 179 Y C 2.480 178.141 175.900 -0.398 0.000 1.163 179 Y CA 1.975 59.921 58.100 -0.256 0.000 1.135 179 Y CB -0.300 38.070 38.460 -0.149 0.000 0.970 179 Y HN 0.190 nan 8.280 nan 0.000 0.498 180 H N -1.388 117.615 119.070 -0.113 0.000 2.495 180 H HA 0.005 4.556 4.556 -0.009 0.000 0.287 180 H C 2.252 177.403 175.328 -0.296 0.000 1.033 180 H CA 1.069 57.002 56.048 -0.192 0.000 1.307 180 H CB -0.428 29.328 29.762 -0.011 0.000 1.401 180 H HN 0.554 nan 8.280 nan 0.000 0.555 181 G N -1.293 107.288 108.800 -0.366 0.000 2.492 181 G HA2 -0.097 3.858 3.960 -0.009 0.000 0.214 181 G HA3 -0.097 3.858 3.960 -0.009 0.000 0.214 181 G C 0.985 175.585 174.900 -0.500 0.000 1.147 181 G CA 0.079 44.834 45.100 -0.575 0.000 0.809 181 G HN 0.392 nan 8.290 nan 0.000 0.533 182 Y N -0.091 120.038 120.300 -0.285 0.000 2.452 182 Y HA 0.518 5.063 4.550 -0.009 0.000 0.262 182 Y C 1.725 177.510 175.900 -0.193 0.000 1.089 182 Y CA -0.596 57.369 58.100 -0.225 0.000 1.262 182 Y CB 0.538 38.757 38.460 -0.401 0.000 1.236 182 Y HN 0.178 nan 8.280 nan 0.000 0.512 183 A N 2.313 124.956 122.820 -0.296 0.000 2.540 183 A HA 0.093 4.408 4.320 -0.009 0.000 0.239 183 A C -1.681 175.807 177.584 -0.160 0.000 1.061 183 A CA -0.974 50.894 52.037 -0.282 0.000 0.758 183 A CB -0.060 18.370 19.000 -0.949 0.000 0.991 183 A HN 0.107 nan 8.150 nan 0.000 0.502 184 P HA -0.219 nan 4.420 nan 0.000 0.216 184 P C 1.293 178.577 177.300 -0.027 0.000 1.150 184 P CA 1.708 64.792 63.100 -0.027 0.000 0.843 184 P CB 0.127 31.811 31.700 -0.027 0.000 0.787 185 E N -0.067 120.110 120.200 -0.038 0.000 2.274 185 E HA -0.062 4.282 4.350 -0.009 0.000 0.194 185 E C 1.720 178.399 176.600 0.132 0.000 0.996 185 E CA 1.191 57.626 56.400 0.058 0.000 0.840 185 E CB -1.014 28.772 29.700 0.144 0.000 0.772 185 E HN 0.150 nan 8.360 nan 0.000 0.491 186 A N 1.715 124.505 122.820 -0.051 0.000 2.168 186 A HA 0.339 4.654 4.320 -0.009 0.000 0.215 186 A C 1.720 179.346 177.584 0.070 0.000 1.152 186 A CA 1.038 53.091 52.037 0.026 0.000 0.716 186 A CB -0.508 18.361 19.000 -0.218 0.000 0.794 186 A HN 0.587 nan 8.150 nan 0.000 0.465 187 A N -0.503 122.340 122.820 0.038 0.000 2.550 187 A HA -0.143 4.172 4.320 -0.009 0.000 0.298 187 A C 0.534 178.149 177.584 0.051 0.000 1.485 187 A CA 1.163 53.228 52.037 0.046 0.000 0.780 187 A CB -2.538 16.485 19.000 0.040 0.000 1.045 187 A HN 0.656 nan 8.150 nan 0.000 0.423 188 T N 1.553 116.132 114.554 0.042 0.000 2.744 188 T HA 0.510 4.855 4.350 -0.009 0.000 0.291 188 T C -2.252 172.488 174.700 0.068 0.000 0.957 188 T CA -0.949 61.171 62.100 0.033 0.000 1.002 188 T CB 1.207 70.066 68.868 -0.015 0.000 0.919 188 T HN 0.319 nan 8.240 nan 0.000 0.468 189 P HA 0.189 nan 4.420 nan 0.000 0.265 189 P C -0.918 176.434 177.300 0.088 0.000 1.187 189 P CA -0.212 62.943 63.100 0.091 0.000 0.766 189 P CB 0.457 32.188 31.700 0.053 0.000 0.820 190 V N 4.811 124.803 119.914 0.130 0.000 2.604 190 V HA 0.422 4.537 4.120 -0.009 0.000 0.305 190 V C 0.306 176.425 176.094 0.042 0.000 1.043 190 V CA -0.680 61.662 62.300 0.071 0.000 0.888 190 V CB 2.077 33.926 31.823 0.043 0.000 0.995 190 V HN 0.438 nan 8.190 nan 0.000 0.429 191 R N 3.417 123.932 120.500 0.025 0.000 2.474 191 R HA 0.680 5.015 4.340 -0.009 0.000 0.295 191 R C -0.858 175.470 176.300 0.046 0.000 0.980 191 R CA -0.665 55.503 56.100 0.114 0.000 0.934 191 R CB 1.386 31.761 30.300 0.126 0.000 1.101 191 R HN 0.558 nan 8.270 nan 0.000 0.469 192 L N 2.293 123.462 121.223 -0.091 0.000 2.452 192 L HA 0.247 4.581 4.340 -0.009 0.000 0.267 192 L C 0.333 177.108 176.870 -0.158 0.000 1.188 192 L CA -0.382 54.261 54.840 -0.328 0.000 0.821 192 L CB 0.304 42.005 42.059 -0.598 0.000 1.102 192 L HN 0.402 nan 8.230 nan 0.000 0.470 193 M N 1.715 121.092 119.600 -0.372 0.000 2.144 193 M HA 0.274 4.749 4.480 -0.009 0.000 0.356 193 M C -1.423 174.559 176.300 -0.531 0.000 1.217 193 M CA -0.022 54.989 55.300 -0.481 0.000 1.087 193 M CB 0.511 32.758 32.600 -0.590 0.000 1.609 193 M HN 0.231 nan 8.290 nan 0.000 0.467 194 W N 6.548 127.662 121.300 -0.310 0.000 2.433 194 W HA 0.628 5.282 4.660 -0.009 0.000 0.315 194 W C -1.308 174.954 176.519 -0.428 0.000 1.087 194 W CA -0.320 56.856 57.345 -0.282 0.000 1.205 194 W CB 0.868 30.177 29.460 -0.251 0.000 1.288 194 W HN 0.466 nan 8.180 nan 0.000 0.504 195 L N 3.443 124.650 121.223 -0.027 0.000 2.386 195 L HA 0.702 5.036 4.340 -0.009 0.000 0.271 195 L C 0.150 177.120 176.870 0.166 0.000 0.993 195 L CA -1.305 53.507 54.840 -0.046 0.000 0.819 195 L CB 1.684 43.771 42.059 0.047 0.000 1.294 195 L HN 0.474 nan 8.230 nan 0.000 0.414 196 A N 2.926 125.809 122.820 0.105 0.000 2.354 196 A HA 0.603 4.918 4.320 -0.009 0.000 0.281 196 A C -0.258 177.567 177.584 0.402 0.000 1.174 196 A CA -0.441 51.745 52.037 0.248 0.000 0.828 196 A CB 0.404 19.355 19.000 -0.083 0.000 1.099 196 A HN 0.528 nan 8.150 nan 0.000 0.516 197 V N 1.772 121.987 119.914 0.502 0.000 2.409 197 V HA 0.397 4.512 4.120 -0.009 0.000 0.291 197 V C 0.205 176.553 176.094 0.424 0.000 1.020 197 V CA -0.883 61.738 62.300 0.535 0.000 0.848 197 V CB 1.073 33.133 31.823 0.395 0.000 0.990 197 V HN 0.880 nan 8.190 nan 0.000 0.430 198 H N 3.869 123.076 119.070 0.230 0.000 2.886 198 H HA 0.212 4.763 4.556 -0.009 0.000 0.329 198 H C 0.917 176.107 175.328 -0.230 0.000 1.044 198 H CA 0.683 56.553 56.048 -0.296 0.000 1.456 198 H CB 1.380 30.991 29.762 -0.251 0.000 1.464 198 H HN 0.805 nan 8.280 nan 0.000 0.573 199 K N 2.934 123.105 120.400 -0.381 0.000 2.519 199 K HA -0.102 4.213 4.320 -0.009 0.000 0.196 199 K C 0.901 177.510 176.600 0.016 0.000 1.041 199 K CA 0.758 56.926 56.287 -0.198 0.000 0.954 199 K CB 0.363 32.625 32.500 -0.396 0.000 0.774 199 K HN 0.542 nan 8.250 nan 0.000 0.480 200 D N 0.798 121.339 120.400 0.234 0.000 2.218 200 D HA -0.108 4.527 4.640 -0.009 0.000 0.204 200 D C 0.968 177.314 176.300 0.077 0.000 0.976 200 D CA 1.215 55.295 54.000 0.134 0.000 0.853 200 D CB 0.054 40.877 40.800 0.039 0.000 0.939 200 D HN 0.264 nan 8.370 nan 0.000 0.481 201 N N -1.124 117.480 118.700 -0.160 0.000 2.382 201 N HA 0.235 4.969 4.740 -0.009 0.000 0.200 201 N C -0.171 174.961 175.510 -0.630 0.000 1.122 201 N CA 0.101 52.758 53.050 -0.654 0.000 0.870 201 N CB 0.959 38.484 38.487 -1.603 0.000 1.176 201 N HN -0.030 nan 8.380 nan 0.000 0.474 202 A N 0.527 123.164 122.820 -0.305 0.000 2.324 202 A HA 0.674 4.989 4.320 -0.009 0.000 0.330 202 A C -1.140 176.495 177.584 0.086 0.000 1.165 202 A CA -0.370 51.566 52.037 -0.167 0.000 0.813 202 A CB 0.245 19.283 19.000 0.063 0.000 1.197 202 A HN 0.441 nan 8.150 nan 0.000 0.484 203 H N -1.047 118.067 119.070 0.074 0.000 2.930 203 H HA 0.731 5.281 4.556 -0.009 0.000 0.371 203 H C -1.569 173.767 175.328 0.013 0.000 1.169 203 H CA -1.166 54.939 56.048 0.095 0.000 1.157 203 H CB 1.033 30.843 29.762 0.080 0.000 1.789 203 H HN 0.593 nan 8.280 nan 0.000 0.547 204 F N 1.516 121.423 119.950 -0.072 0.000 2.551 204 F HA 0.749 5.270 4.527 -0.009 0.000 0.316 204 F C -1.113 174.691 175.800 0.007 0.000 1.089 204 F CA -0.287 57.609 58.000 -0.174 0.000 0.915 204 F CB 2.166 40.808 39.000 -0.597 0.000 1.186 204 F HN 0.732 nan 8.300 nan 0.000 0.456 205 S N 3.345 118.600 115.700 -0.742 0.000 2.569 205 S HA 0.793 5.258 4.470 -0.009 0.000 0.280 205 S C -1.339 172.752 174.600 -0.849 0.000 1.111 205 S CA -0.579 57.299 58.200 -0.537 0.000 0.887 205 S CB 1.440 64.516 63.200 -0.206 0.000 1.095 205 S HN 1.001 nan 8.310 nan 0.000 0.476 206 C N 0.329 119.363 119.300 -0.443 0.000 3.295 206 C HA 0.661 5.115 4.460 -0.009 0.000 0.341 206 C C -0.963 173.978 174.990 -0.083 0.000 1.418 206 C CA -1.315 57.539 59.018 -0.274 0.000 1.240 206 C CB -0.669 26.944 27.740 -0.212 0.000 1.562 206 C HN 0.853 nan 8.230 nan 0.000 0.457 207 L N 2.515 123.721 121.223 -0.028 0.000 2.506 207 L HA 0.174 4.509 4.340 -0.009 0.000 0.281 207 L C 2.034 178.917 176.870 0.022 0.000 1.228 207 L CA 0.732 55.575 54.840 0.006 0.000 0.850 207 L CB 0.725 42.790 42.059 0.010 0.000 1.110 207 L HN 1.082 nan 8.230 nan 0.000 0.496 208 S N 0.222 115.941 115.700 0.031 0.000 2.420 208 S HA -0.197 4.267 4.470 -0.009 0.000 0.237 208 S C 1.122 175.746 174.600 0.040 0.000 1.023 208 S CA 1.194 59.417 58.200 0.039 0.000 0.991 208 S CB -0.344 62.882 63.200 0.043 0.000 0.792 208 S HN 0.868 nan 8.310 nan 0.000 0.488 209 D N 1.335 121.757 120.400 0.036 0.000 2.328 209 D HA 0.133 4.768 4.640 -0.009 0.000 0.221 209 D C 0.829 177.149 176.300 0.033 0.000 1.072 209 D CA -0.121 53.898 54.000 0.033 0.000 0.850 209 D CB -0.248 40.569 40.800 0.029 0.000 0.922 209 D HN 0.751 nan 8.370 nan 0.000 0.516 210 M N -0.491 119.135 119.600 0.043 0.000 2.719 210 M HA 0.647 5.121 4.480 -0.009 0.000 0.291 210 M C -2.009 174.349 176.300 0.096 0.000 1.264 210 M CA -0.843 54.489 55.300 0.052 0.000 0.811 210 M CB 2.631 35.255 32.600 0.039 0.000 1.756 210 M HN -0.172 nan 8.290 nan 0.000 0.464 211 D N -1.160 119.309 120.400 0.115 0.000 2.596 211 D HA 0.250 4.885 4.640 -0.009 0.000 0.262 211 D C 0.092 176.507 176.300 0.192 0.000 1.210 211 D CA -0.749 53.369 54.000 0.196 0.000 0.873 211 D CB 1.111 41.991 40.800 0.134 0.000 1.408 211 D HN 0.677 nan 8.370 nan 0.000 0.441 212 Y N 0.488 120.820 120.300 0.054 0.000 2.128 212 Y HA -0.224 4.321 4.550 -0.009 0.000 0.284 212 Y C 1.411 177.157 175.900 -0.257 0.000 1.154 212 Y CA 2.031 59.870 58.100 -0.435 0.000 1.149 212 Y CB -0.109 37.931 38.460 -0.699 0.000 0.976 212 Y HN 0.388 nan 8.280 nan 0.000 0.505 213 D N -0.531 119.788 120.400 -0.134 0.000 2.117 213 D HA -0.171 4.463 4.640 -0.009 0.000 0.198 213 D C 2.412 178.596 176.300 -0.194 0.000 0.982 213 D CA 1.793 55.691 54.000 -0.170 0.000 0.828 213 D CB -0.333 40.467 40.800 0.000 0.000 0.967 213 D HN 0.537 nan 8.370 nan 0.000 0.464 214 S N 0.844 116.471 115.700 -0.122 0.000 2.383 214 S HA -0.139 4.326 4.470 -0.009 0.000 0.227 214 S C 2.126 176.632 174.600 -0.157 0.000 1.026 214 S CA 0.431 58.568 58.200 -0.105 0.000 0.981 214 S CB -0.573 62.599 63.200 -0.048 0.000 0.818 214 S HN 0.169 nan 8.310 nan 0.000 0.472 215 L N 1.121 122.217 121.223 -0.211 0.000 2.012 215 L HA -0.019 4.315 4.340 -0.009 0.000 0.210 215 L C 2.518 179.176 176.870 -0.352 0.000 1.073 215 L CA 1.943 56.611 54.840 -0.287 0.000 0.748 215 L CB -0.656 41.193 42.059 -0.350 0.000 0.891 215 L HN 0.220 nan 8.230 nan 0.000 0.431 216 M N -1.007 118.311 119.600 -0.470 0.000 2.132 216 M HA -0.151 4.323 4.480 -0.009 0.000 0.263 216 M C 2.623 178.778 176.300 -0.241 0.000 1.065 216 M CA 1.833 56.898 55.300 -0.392 0.000 1.122 216 M CB -1.692 30.592 32.600 -0.525 0.000 1.365 216 M HN 0.566 nan 8.290 nan 0.000 0.411 217 S N 0.526 116.101 115.700 -0.208 0.000 2.372 217 S HA -0.220 4.244 4.470 -0.009 0.000 0.227 217 S C 1.796 176.322 174.600 -0.123 0.000 1.044 217 S CA 1.924 60.039 58.200 -0.143 0.000 1.050 217 S CB -0.149 62.984 63.200 -0.112 0.000 0.901 217 S HN 0.567 nan 8.310 nan 0.000 0.447 218 E N -0.054 120.075 120.200 -0.119 0.000 2.072 218 E HA -0.082 4.262 4.350 -0.009 0.000 0.191 218 E C 2.419 178.980 176.600 -0.064 0.000 0.985 218 E CA 1.193 57.542 56.400 -0.085 0.000 0.801 218 E CB -0.077 29.578 29.700 -0.075 0.000 0.750 218 E HN 0.555 nan 8.360 nan 0.000 0.452 219 E N 0.218 120.377 120.200 -0.068 0.000 2.086 219 E HA -0.028 4.317 4.350 -0.009 0.000 0.190 219 E C 2.152 178.759 176.600 0.011 0.000 0.975 219 E CA 0.681 57.102 56.400 0.035 0.000 0.813 219 E CB 0.212 29.985 29.700 0.121 0.000 0.768 219 E HN 0.254 nan 8.360 nan 0.000 0.457 220 L N -0.911 120.245 121.223 -0.111 0.000 2.388 220 L HA 0.234 4.569 4.340 -0.009 0.000 0.209 220 L C 1.035 177.777 176.870 -0.212 0.000 1.061 220 L CA 0.478 55.185 54.840 -0.221 0.000 0.834 220 L CB 0.305 42.117 42.059 -0.413 0.000 1.029 220 L HN 0.159 nan 8.230 nan 0.000 0.473 221 G N -0.025 108.667 108.800 -0.180 0.000 2.663 221 G HA2 -0.174 3.780 3.960 -0.009 0.000 0.686 221 G HA3 -0.174 3.780 3.960 -0.009 0.000 0.686 221 G C 0.071 174.866 174.900 -0.174 0.000 1.288 221 G CA -0.383 44.623 45.100 -0.158 0.000 0.836 221 G HN 0.009 nan 8.290 nan 0.000 0.584 222 E N -0.065 120.052 120.200 -0.137 0.000 2.072 222 E HA -0.080 4.265 4.350 -0.009 0.000 0.190 222 E C 2.749 179.260 176.600 -0.148 0.000 0.982 222 E CA 1.476 57.803 56.400 -0.121 0.000 0.803 222 E CB -0.520 29.129 29.700 -0.085 0.000 0.755 222 E HN 0.601 nan 8.360 nan 0.000 0.453 223 S N 1.003 116.606 115.700 -0.161 0.000 2.353 223 S HA -0.170 4.295 4.470 -0.009 0.000 0.222 223 S C 2.160 176.589 174.600 -0.285 0.000 1.035 223 S CA 1.725 59.816 58.200 -0.182 0.000 1.025 223 S CB -0.194 62.910 63.200 -0.159 0.000 0.902 223 S HN 0.263 nan 8.310 nan 0.000 0.440 224 A N 0.767 123.356 122.820 -0.385 0.000 1.908 224 A HA -0.013 4.302 4.320 -0.009 0.000 0.218 224 A C 2.418 179.481 177.584 -0.868 0.000 1.181 224 A CA 1.947 53.574 52.037 -0.684 0.000 0.627 224 A CB -1.127 17.454 19.000 -0.699 0.000 0.818 224 A HN 0.507 nan 8.150 nan 0.000 0.445 225 V N -0.512 119.099 119.914 -0.506 0.000 2.358 225 V HA -0.194 3.921 4.120 -0.009 0.000 0.246 225 V C 2.727 178.750 176.094 -0.118 0.000 1.047 225 V CA 2.379 64.520 62.300 -0.266 0.000 1.035 225 V CB -1.151 30.633 31.823 -0.065 0.000 0.658 225 V HN 0.605 nan 8.190 nan 0.000 0.452 226 T N -0.525 113.949 114.554 -0.134 0.000 2.708 226 T HA -0.221 4.123 4.350 -0.009 0.000 0.266 226 T C 1.719 176.364 174.700 -0.090 0.000 1.037 226 T CA 1.904 63.964 62.100 -0.067 0.000 1.146 226 T CB -0.382 68.441 68.868 -0.076 0.000 0.865 226 T HN 0.474 nan 8.240 nan 0.000 0.435 227 D N 0.106 120.385 120.400 -0.201 0.000 2.182 227 D HA -0.027 4.608 4.640 -0.009 0.000 0.201 227 D C 1.718 177.963 176.300 -0.092 0.000 0.986 227 D CA 0.994 54.884 54.000 -0.184 0.000 0.847 227 D CB -0.227 40.405 40.800 -0.280 0.000 0.942 227 D HN 0.462 nan 8.370 nan 0.000 0.467 228 F N 0.170 119.930 119.950 -0.316 0.000 2.113 228 F HA -0.106 4.415 4.527 -0.009 0.000 0.297 228 F C 2.548 178.223 175.800 -0.209 0.000 1.103 228 F CA 0.473 58.184 58.000 -0.482 0.000 1.248 228 F CB -0.158 38.096 39.000 -1.244 0.000 0.999 228 F HN -0.015 nan 8.300 nan 0.000 0.475 229 A N 0.400 123.339 122.820 0.199 0.000 1.908 229 A HA -0.196 4.119 4.320 -0.009 0.000 0.218 229 A C 2.320 179.976 177.584 0.120 0.000 1.181 229 A CA 1.815 54.014 52.037 0.271 0.000 0.627 229 A CB -1.193 17.961 19.000 0.256 0.000 0.818 229 A HN 0.356 nan 8.150 nan 0.000 0.445 230 A N -0.368 122.491 122.820 0.065 0.000 1.883 230 A HA -0.184 4.131 4.320 -0.009 0.000 0.217 230 A C 2.189 179.784 177.584 0.018 0.000 1.186 230 A CA 2.123 54.177 52.037 0.029 0.000 0.624 230 A CB -0.495 18.508 19.000 0.005 0.000 0.822 230 A HN 0.490 nan 8.150 nan 0.000 0.444 231 R N -0.266 120.248 120.500 0.023 0.000 2.096 231 R HA -0.093 4.241 4.340 -0.009 0.000 0.240 231 R C 2.017 178.305 176.300 -0.020 0.000 1.139 231 R CA 1.755 57.858 56.100 0.005 0.000 0.952 231 R CB -0.579 29.731 30.300 0.017 0.000 0.854 231 R HN 0.557 nan 8.270 nan 0.000 0.436 232 L N -0.548 120.664 121.223 -0.018 0.000 2.027 232 L HA -0.132 4.203 4.340 -0.009 0.000 0.206 232 L C 2.731 179.572 176.870 -0.048 0.000 1.074 232 L CA 1.529 56.332 54.840 -0.060 0.000 0.745 232 L CB -0.431 41.591 42.059 -0.061 0.000 0.898 232 L HN 0.250 nan 8.230 nan 0.000 0.433 233 R N -0.230 120.259 120.500 -0.018 0.000 2.091 233 R HA -0.198 4.137 4.340 -0.009 0.000 0.238 233 R C 2.321 178.595 176.300 -0.042 0.000 1.136 233 R CA 1.332 57.410 56.100 -0.038 0.000 0.959 233 R CB -0.172 30.128 30.300 -0.001 0.000 0.856 233 R HN 0.244 nan 8.270 nan 0.000 0.437 234 E N 1.184 121.371 120.200 -0.022 0.000 2.160 234 E HA -0.224 4.121 4.350 -0.009 0.000 0.195 234 E C 1.067 177.655 176.600 -0.020 0.000 0.991 234 E CA 1.474 57.864 56.400 -0.017 0.000 0.810 234 E CB 0.083 29.778 29.700 -0.009 0.000 0.742 234 E HN 0.585 nan 8.360 nan 0.000 0.466 235 Q N -1.206 118.578 119.800 -0.027 0.000 2.228 235 Q HA 0.245 4.580 4.340 -0.009 0.000 0.211 235 Q C 0.890 176.875 176.000 -0.024 0.000 0.890 235 Q CA 0.513 56.304 55.803 -0.020 0.000 0.953 235 Q CB 0.125 28.853 28.738 -0.016 0.000 1.053 235 Q HN 0.196 nan 8.270 nan 0.000 0.471 236 G N 0.779 109.549 108.800 -0.050 0.000 2.148 236 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.254 236 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.254 236 G C -0.124 174.682 174.900 -0.156 0.000 0.981 236 G CA 0.257 45.309 45.100 -0.080 0.000 0.670 236 G HN 0.357 nan 8.290 nan 0.000 0.528 237 L N 0.039 121.176 121.223 -0.143 0.000 2.365 237 L HA 0.611 4.946 4.340 -0.009 0.000 0.267 237 L C 0.365 177.100 176.870 -0.225 0.000 1.033 237 L CA -1.295 53.487 54.840 -0.096 0.000 0.802 237 L CB 1.110 43.191 42.059 0.038 0.000 1.267 237 L HN 0.110 nan 8.230 nan 0.000 0.457 238 H N 0.864 120.068 119.070 0.224 0.000 2.673 238 H HA 0.183 4.734 4.556 -0.009 0.000 0.293 238 H C -1.915 173.542 175.328 0.214 0.000 1.065 238 H CA -1.744 54.400 56.048 0.159 0.000 1.236 238 H CB 1.458 31.277 29.762 0.096 0.000 1.389 238 H HN 0.288 nan 8.280 nan 0.000 0.481 239 P HA -0.187 nan 4.420 nan 0.000 0.219 239 P C 1.476 178.822 177.300 0.077 0.000 1.144 239 P CA 1.345 64.560 63.100 0.192 0.000 0.806 239 P CB 0.264 32.059 31.700 0.158 0.000 0.771 240 A N -0.323 122.527 122.820 0.050 0.000 2.019 240 A HA -0.190 4.125 4.320 -0.009 0.000 0.219 240 A C 1.822 179.277 177.584 -0.216 0.000 1.164 240 A CA 1.726 53.717 52.037 -0.077 0.000 0.644 240 A CB -1.059 17.914 19.000 -0.046 0.000 0.805 240 A HN 0.100 nan 8.150 nan 0.000 0.449 241 D N -2.040 118.225 120.400 -0.225 0.000 2.355 241 D HA 0.124 4.759 4.640 -0.009 0.000 0.218 241 D C -0.580 175.131 176.300 -0.982 0.000 1.004 241 D CA 0.682 54.296 54.000 -0.643 0.000 0.880 241 D CB 0.033 40.373 40.800 -0.767 0.000 0.911 241 D HN 0.534 nan 8.370 nan 0.000 0.528 242 Y N -1.093 118.909 120.300 -0.496 0.000 2.545 242 Y HA 0.355 4.899 4.550 -0.009 0.000 0.348 242 Y C -0.280 175.220 175.900 -0.667 0.000 1.002 242 Y CA -1.199 56.625 58.100 -0.459 0.000 1.039 242 Y CB 1.113 39.444 38.460 -0.214 0.000 1.271 242 Y HN -0.260 nan 8.280 nan 0.000 0.467 243 Y N 0.668 120.829 120.300 -0.231 0.000 2.488 243 Y HA 0.547 5.091 4.550 -0.009 0.000 0.325 243 Y C -0.799 175.000 175.900 -0.169 0.000 1.204 243 Y CA -1.396 56.462 58.100 -0.403 0.000 1.229 243 Y CB 0.770 39.044 38.460 -0.310 0.000 1.274 243 Y HN 0.300 nan 8.280 nan 0.000 0.493 244 F N 1.920 122.189 119.950 0.531 0.000 2.436 244 F HA 0.577 5.099 4.527 -0.009 0.000 0.340 244 F C -0.008 176.186 175.800 0.658 0.000 1.113 244 F CA -1.276 57.021 58.000 0.495 0.000 1.022 244 F CB 1.335 40.602 39.000 0.445 0.000 1.128 244 F HN 0.201 nan 8.300 nan 0.000 0.466 245 M N 6.417 126.453 119.600 0.727 0.000 2.326 245 M HA 0.510 4.984 4.480 -0.009 0.000 0.292 245 M C -2.929 173.387 176.300 0.026 0.000 1.081 245 M CA -1.961 53.602 55.300 0.438 0.000 0.919 245 M CB 2.859 35.591 32.600 0.219 0.000 1.634 245 M HN 0.243 nan 8.290 nan 0.000 0.451 246 P HA 0.561 nan 4.420 nan 0.000 0.281 246 P C -1.783 175.281 177.300 -0.393 0.000 1.249 246 P CA -0.370 62.161 63.100 -0.948 0.000 0.810 246 P CB 1.550 32.501 31.700 -1.248 0.000 1.008 247 A N 1.260 123.839 122.820 -0.401 0.000 2.539 247 A HA 0.439 4.754 4.320 -0.009 0.000 0.296 247 A C -0.708 176.754 177.584 -0.203 0.000 1.073 247 A CA -0.642 51.279 52.037 -0.193 0.000 0.700 247 A CB 0.769 19.655 19.000 -0.190 0.000 1.296 247 A HN 0.693 nan 8.150 nan 0.000 0.405 248 H N 2.874 121.867 119.070 -0.128 0.000 3.004 248 H HA 0.114 4.664 4.556 -0.009 0.000 0.316 248 H C -1.520 173.768 175.328 -0.067 0.000 1.014 248 H CA -1.033 54.979 56.048 -0.061 0.000 1.454 248 H CB 1.249 31.072 29.762 0.102 0.000 1.472 248 H HN 0.309 nan 8.280 nan 0.000 0.571 249 P HA -0.209 nan 4.420 nan 0.000 0.216 249 P C 1.679 179.210 177.300 0.385 0.000 1.150 249 P CA 1.325 64.555 63.100 0.217 0.000 0.843 249 P CB -0.190 31.799 31.700 0.481 0.000 0.787 250 W N 1.020 122.433 121.300 0.188 0.000 2.335 250 W HA -0.219 4.436 4.660 -0.008 0.000 0.311 250 W C 2.687 179.238 176.519 0.053 0.000 1.213 250 W CA 1.849 59.253 57.345 0.100 0.000 1.274 250 W CB -0.816 28.529 29.460 -0.190 0.000 1.148 250 W HN -0.089 nan 8.180 nan 0.000 0.498 251 Q N 0.090 120.091 119.800 0.334 0.000 2.096 251 Q HA -0.278 4.057 4.340 -0.009 0.000 0.204 251 Q C 2.197 178.080 176.000 -0.195 0.000 0.982 251 Q CA 2.533 58.387 55.803 0.086 0.000 0.850 251 Q CB -1.253 27.521 28.738 0.060 0.000 0.901 251 Q HN 0.624 nan 8.270 nan 0.000 0.422 252 W N -0.301 120.772 121.300 -0.377 0.000 2.355 252 W HA -0.233 4.421 4.660 -0.009 0.000 0.309 252 W C 1.173 177.380 176.519 -0.520 0.000 1.206 252 W CA 1.341 58.351 57.345 -0.559 0.000 1.284 252 W CB -0.505 28.531 29.460 -0.706 0.000 1.145 252 W HN 0.240 nan 8.180 nan 0.000 0.502 253 F N 1.044 120.702 119.950 -0.488 0.000 2.325 253 F HA -0.111 4.411 4.527 -0.009 0.000 0.299 253 F C 2.309 177.743 175.800 -0.611 0.000 1.090 253 F CA 1.341 58.996 58.000 -0.575 0.000 1.392 253 F CB -0.568 38.275 39.000 -0.263 0.000 1.053 253 F HN -0.079 nan 8.300 nan 0.000 0.521 254 N N -0.861 117.487 118.700 -0.586 0.000 2.414 254 N HA 0.008 4.743 4.740 -0.009 0.000 0.177 254 N C 1.416 176.626 175.510 -0.500 0.000 1.062 254 N CA 0.518 53.129 53.050 -0.731 0.000 0.890 254 N CB 0.383 37.877 38.487 -1.656 0.000 1.070 254 N HN 0.167 nan 8.380 nan 0.000 0.454 255 K N 0.582 120.719 120.400 -0.437 0.000 2.494 255 K HA 0.297 4.611 4.320 -0.009 0.000 0.201 255 K C 2.052 178.520 176.600 -0.221 0.000 1.338 255 K CA 0.088 56.240 56.287 -0.224 0.000 0.935 255 K CB -0.174 32.251 32.500 -0.126 0.000 1.514 255 K HN -0.027 nan 8.250 nan 0.000 0.490 256 L N 2.155 123.104 121.223 -0.457 0.000 2.072 256 L HA -0.079 4.255 4.340 -0.009 0.000 0.205 256 L C 2.291 178.900 176.870 -0.435 0.000 1.079 256 L CA 1.657 56.159 54.840 -0.564 0.000 0.752 256 L CB -0.701 40.911 42.059 -0.744 0.000 0.906 256 L HN 0.128 nan 8.230 nan 0.000 0.436 257 S N -0.570 114.622 115.700 -0.848 0.000 2.474 257 S HA -0.024 4.441 4.470 -0.009 0.000 0.235 257 S C 1.618 175.983 174.600 -0.392 0.000 0.997 257 S CA 0.723 58.376 58.200 -0.911 0.000 0.949 257 S CB -0.213 62.127 63.200 -1.433 0.000 0.766 257 S HN 0.358 nan 8.310 nan 0.000 0.517 258 L N 0.079 121.143 121.223 -0.265 0.000 2.783 258 L HA 0.437 4.772 4.340 -0.009 0.000 0.174 258 L C 2.889 179.742 176.870 -0.028 0.000 1.235 258 L CA 0.599 55.355 54.840 -0.140 0.000 0.862 258 L CB -0.949 41.020 42.059 -0.150 0.000 1.249 258 L HN 0.293 nan 8.230 nan 0.000 0.518 259 A N -0.153 122.710 122.820 0.073 0.000 2.019 259 A HA -0.139 4.175 4.320 -0.009 0.000 0.219 259 A C 1.526 179.190 177.584 0.133 0.000 1.164 259 A CA 1.521 53.655 52.037 0.162 0.000 0.644 259 A CB -0.546 18.669 19.000 0.358 0.000 0.805 259 A HN 0.379 nan 8.150 nan 0.000 0.449 260 F N -0.528 119.408 119.950 -0.024 0.000 2.660 260 F HA 0.418 4.940 4.527 -0.009 0.000 0.297 260 F C 2.051 177.853 175.800 0.003 0.000 1.132 260 F CA -0.467 57.565 58.000 0.053 0.000 1.372 260 F CB -0.535 38.514 39.000 0.081 0.000 1.003 260 F HN 0.236 nan 8.300 nan 0.000 0.524 261 A N 1.506 124.352 122.820 0.044 0.000 1.927 261 A HA -0.181 4.134 4.320 -0.009 0.000 0.220 261 A C 0.036 177.611 177.584 -0.015 0.000 1.185 261 A CA 1.775 53.807 52.037 -0.009 0.000 0.639 261 A CB -1.872 17.088 19.000 -0.066 0.000 0.820 261 A HN 0.220 nan 8.150 nan 0.000 0.451 262 P HA -0.179 nan 4.420 nan 0.000 0.216 262 P C 0.906 178.197 177.300 -0.015 0.000 1.150 262 P CA 1.324 64.324 63.100 -0.166 0.000 0.837 262 P CB -0.269 31.174 31.700 -0.429 0.000 0.786 263 Y N -0.276 120.154 120.300 0.217 0.000 2.286 263 Y HA -0.087 4.457 4.550 -0.009 0.000 0.293 263 Y C 2.665 178.719 175.900 0.256 0.000 1.124 263 Y CA 0.442 58.724 58.100 0.303 0.000 1.178 263 Y CB -1.555 37.173 38.460 0.448 0.000 1.010 263 Y HN -0.266 nan 8.280 nan 0.000 0.536 264 V N -0.036 120.087 119.914 0.348 0.000 2.261 264 V HA -0.337 3.778 4.120 -0.009 0.000 0.246 264 V C 2.584 178.800 176.094 0.204 0.000 1.047 264 V CA 1.850 64.309 62.300 0.266 0.000 1.015 264 V CB -1.483 30.462 31.823 0.203 0.000 0.642 264 V HN 0.421 nan 8.190 nan 0.000 0.446 265 A N -0.739 122.168 122.820 0.145 0.000 1.917 265 A HA -0.254 4.061 4.320 -0.009 0.000 0.219 265 A C 2.057 179.718 177.584 0.128 0.000 1.182 265 A CA 1.735 53.835 52.037 0.105 0.000 0.633 265 A CB -0.418 18.614 19.000 0.053 0.000 0.819 265 A HN 0.558 nan 8.150 nan 0.000 0.448 266 Q N -1.271 118.629 119.800 0.167 0.000 2.403 266 Q HA 0.063 4.398 4.340 -0.009 0.000 0.203 266 Q C -0.177 175.955 176.000 0.221 0.000 0.932 266 Q CA 0.129 56.035 55.803 0.173 0.000 0.945 266 Q CB 0.216 29.061 28.738 0.179 0.000 1.045 266 Q HN 0.612 nan 8.270 nan 0.000 0.511 267 R N -0.163 120.493 120.500 0.259 0.000 3.878 267 R HA -0.149 4.185 4.340 -0.009 0.000 0.330 267 R C 0.555 177.133 176.300 0.463 0.000 1.186 267 R CA 0.487 56.776 56.100 0.317 0.000 0.885 267 R CB -1.542 28.926 30.300 0.281 0.000 1.377 267 R HN 0.125 nan 8.270 nan 0.000 0.523 268 K N 0.572 121.244 120.400 0.453 0.000 2.366 268 K HA 0.253 4.567 4.320 -0.009 0.000 0.198 268 K C 1.082 178.074 176.600 0.654 0.000 1.044 268 K CA 0.768 57.372 56.287 0.528 0.000 0.973 268 K CB 0.403 33.222 32.500 0.533 0.000 0.767 268 K HN 0.381 nan 8.250 nan 0.000 0.475 269 I N 0.736 121.614 120.570 0.514 0.000 2.466 269 I HA 0.201 4.365 4.170 -0.009 0.000 0.289 269 I C -1.021 175.260 176.117 0.273 0.000 1.026 269 I CA -1.010 60.526 61.300 0.393 0.000 1.078 269 I CB 2.553 40.720 38.000 0.278 0.000 1.249 269 I HN -0.423 nan 8.210 nan 0.000 0.429 270 V N 5.021 125.025 119.914 0.149 0.000 2.483 270 V HA 0.208 4.322 4.120 -0.009 0.000 0.297 270 V C -0.220 175.769 176.094 -0.175 0.000 1.027 270 V CA -0.755 61.542 62.300 -0.004 0.000 0.855 270 V CB 1.873 33.640 31.823 -0.093 0.000 0.995 270 V HN 0.893 nan 8.190 nan 0.000 0.424 271 C N 6.277 125.395 119.300 -0.303 0.000 2.624 271 C HA 0.363 4.818 4.460 -0.009 0.000 0.397 271 C C 1.553 176.287 174.990 -0.427 0.000 1.331 271 C CA -0.081 58.559 59.018 -0.629 0.000 1.716 271 C CB -1.256 25.912 27.740 -0.953 0.000 2.452 271 C HN 0.930 nan 8.230 nan 0.000 0.586 272 L N 5.673 126.622 121.223 -0.457 0.000 2.529 272 L HA 0.346 4.680 4.340 -0.009 0.000 0.223 272 L C 1.486 178.187 176.870 -0.281 0.000 1.113 272 L CA 0.879 55.466 54.840 -0.422 0.000 0.861 272 L CB -0.751 40.810 42.059 -0.829 0.000 1.012 272 L HN 1.083 nan 8.230 nan 0.000 0.461 273 G N -1.212 107.385 108.800 -0.338 0.000 2.498 273 G HA2 -0.212 3.742 3.960 -0.009 0.000 0.651 273 G HA3 -0.212 3.742 3.960 -0.009 0.000 0.651 273 G C -0.959 173.856 174.900 -0.142 0.000 1.284 273 G CA -0.919 44.034 45.100 -0.245 0.000 0.950 273 G HN -0.093 nan 8.290 nan 0.000 0.511 274 Y N 1.066 121.405 120.300 0.066 0.000 2.411 274 Y HA 0.422 4.966 4.550 -0.009 0.000 0.333 274 Y C 1.688 177.742 175.900 0.257 0.000 1.186 274 Y CA 0.833 59.015 58.100 0.136 0.000 1.381 274 Y CB 0.905 39.427 38.460 0.104 0.000 1.273 274 Y HN 0.885 nan 8.280 nan 0.000 0.546 275 G N 1.953 111.103 108.800 0.584 0.000 2.636 275 G HA2 0.021 3.976 3.960 -0.009 0.000 0.246 275 G HA3 0.021 3.976 3.960 -0.009 0.000 0.246 275 G C 0.338 175.408 174.900 0.284 0.000 1.216 275 G CA -0.400 44.996 45.100 0.494 0.000 0.854 275 G HN 0.866 nan 8.290 nan 0.000 0.572 276 E N -0.273 120.019 120.200 0.153 0.000 2.170 276 E HA -0.007 4.337 4.350 -0.009 0.000 0.191 276 E C 0.691 177.337 176.600 0.076 0.000 0.981 276 E CA 0.485 56.932 56.400 0.078 0.000 0.830 276 E CB 0.206 29.906 29.700 -0.000 0.000 0.775 276 E HN 0.615 nan 8.360 nan 0.000 0.470 277 E N 1.079 121.345 120.200 0.111 0.000 2.343 277 E HA 0.135 4.480 4.350 -0.009 0.000 0.269 277 E C -0.418 176.217 176.600 0.059 0.000 1.047 277 E CA -0.092 56.324 56.400 0.026 0.000 0.874 277 E CB 1.041 30.711 29.700 -0.049 0.000 1.033 277 E HN 0.070 nan 8.360 nan 0.000 0.409 278 Q N 1.547 121.302 119.800 -0.076 0.000 2.235 278 Q HA 0.409 4.743 4.340 -0.009 0.000 0.256 278 Q C -1.219 174.701 176.000 -0.132 0.000 0.951 278 Q CA -0.506 55.297 55.803 -0.001 0.000 0.890 278 Q CB 1.307 30.045 28.738 0.000 0.000 1.279 278 Q HN 0.455 nan 8.270 nan 0.000 0.444 279 Y N 0.191 120.518 120.300 0.045 0.000 2.576 279 Y HA 0.516 5.061 4.550 -0.009 0.000 0.346 279 Y C -0.680 175.355 175.900 0.224 0.000 1.018 279 Y CA -0.878 57.299 58.100 0.129 0.000 1.050 279 Y CB 1.595 40.102 38.460 0.080 0.000 1.280 279 Y HN 0.384 nan 8.280 nan 0.000 0.474 280 L N 2.064 123.584 121.223 0.496 0.000 2.341 280 L HA 0.725 5.059 4.340 -0.009 0.000 0.278 280 L C -0.158 176.973 176.870 0.435 0.000 1.005 280 L CA -1.263 53.812 54.840 0.391 0.000 0.818 280 L CB 1.745 43.942 42.059 0.230 0.000 1.259 280 L HN 0.779 nan 8.230 nan 0.000 0.418 281 A N 3.442 126.465 122.820 0.338 0.000 2.548 281 A HA 0.214 4.529 4.320 -0.009 0.000 0.247 281 A C 0.174 177.736 177.584 -0.035 0.000 1.067 281 A CA -0.161 51.862 52.037 -0.024 0.000 0.757 281 A CB 0.072 19.079 19.000 0.012 0.000 0.996 281 A HN 0.676 nan 8.150 nan 0.000 0.504 282 Q N 0.935 120.669 119.800 -0.110 0.000 2.308 282 Q HA 0.135 4.470 4.340 -0.009 0.000 0.207 282 Q C 0.985 176.934 176.000 -0.085 0.000 1.035 282 Q CA -0.579 55.185 55.803 -0.065 0.000 1.008 282 Q CB 0.184 28.904 28.738 -0.031 0.000 1.168 282 Q HN 0.796 nan 8.270 nan 0.000 0.565 283 Q N 0.376 120.137 119.800 -0.065 0.000 2.226 283 Q HA -0.104 4.231 4.340 -0.009 0.000 0.204 283 Q C 1.719 177.682 176.000 -0.061 0.000 0.975 283 Q CA 1.515 57.288 55.803 -0.050 0.000 0.866 283 Q CB -0.215 28.505 28.738 -0.030 0.000 0.915 283 Q HN 0.737 nan 8.270 nan 0.000 0.440 284 S N -0.525 115.127 115.700 -0.080 0.000 2.555 284 S HA -0.043 4.421 4.470 -0.009 0.000 0.230 284 S C 1.478 175.997 174.600 -0.135 0.000 0.978 284 S CA 0.735 58.879 58.200 -0.094 0.000 0.934 284 S CB -0.310 62.836 63.200 -0.090 0.000 0.766 284 S HN 0.466 nan 8.310 nan 0.000 0.533 285 I N -0.376 120.101 120.570 -0.154 0.000 4.235 285 I HA -0.433 3.732 4.170 -0.009 0.000 0.088 285 I C 1.737 177.698 176.117 -0.260 0.000 0.530 285 I CA 2.021 63.232 61.300 -0.149 0.000 1.179 285 I CB -1.377 36.557 38.000 -0.110 0.000 1.046 285 I HN 0.553 nan 8.210 nan 0.000 0.176 286 R N 1.393 121.742 120.500 -0.252 0.000 2.334 286 R HA 0.263 4.597 4.340 -0.009 0.000 0.216 286 R C 0.044 176.137 176.300 -0.344 0.000 0.905 286 R CA 0.685 56.661 56.100 -0.206 0.000 1.064 286 R CB 0.083 30.325 30.300 -0.098 0.000 1.046 286 R HN 0.311 nan 8.270 nan 0.000 0.508 287 T N 1.133 115.430 114.554 -0.429 0.000 2.824 287 T HA 0.489 4.834 4.350 -0.009 0.000 0.280 287 T C -1.092 173.373 174.700 -0.393 0.000 0.995 287 T CA -0.268 61.662 62.100 -0.284 0.000 1.009 287 T CB 1.091 69.859 68.868 -0.166 0.000 0.955 287 T HN -0.008 nan 8.240 nan 0.000 0.452 288 F N 1.970 122.009 119.950 0.149 0.000 2.540 288 F HA 0.594 5.116 4.527 -0.009 0.000 0.317 288 F C -0.502 175.607 175.800 0.514 0.000 1.104 288 F CA -1.450 56.696 58.000 0.244 0.000 0.913 288 F CB 1.522 40.505 39.000 -0.029 0.000 1.170 288 F HN 0.533 nan 8.300 nan 0.000 0.450 289 F N 3.940 124.229 119.950 0.564 0.000 2.427 289 F HA 0.422 4.944 4.527 -0.007 0.000 0.346 289 F C -0.001 175.944 175.800 0.241 0.000 1.120 289 F CA -0.718 57.482 58.000 0.333 0.000 1.033 289 F CB 0.723 39.822 39.000 0.165 0.000 1.126 289 F HN 0.386 nan 8.300 nan 0.000 0.462 290 N N 6.859 125.189 118.700 -0.617 0.000 2.420 290 N HA 0.076 4.811 4.740 -0.009 0.000 0.262 290 N C 0.764 175.894 175.510 -0.635 0.000 1.144 290 N CA 0.081 52.608 53.050 -0.873 0.000 0.952 290 N CB 0.555 38.566 38.487 -0.793 0.000 1.081 290 N HN 0.842 nan 8.380 nan 0.000 0.480 291 I N 0.340 120.742 120.570 -0.280 0.000 3.860 291 I HA 0.130 4.294 4.170 -0.009 0.000 0.319 291 I C 1.247 177.307 176.117 -0.094 0.000 1.279 291 I CA -0.154 61.126 61.300 -0.034 0.000 1.220 291 I CB 0.195 38.257 38.000 0.104 0.000 1.027 291 I HN 0.161 nan 8.210 nan 0.000 0.428 292 S N 0.783 116.367 115.700 -0.194 0.000 2.362 292 S HA 0.139 4.603 4.470 -0.009 0.000 0.221 292 S C 0.918 175.440 174.600 -0.129 0.000 1.032 292 S CA 0.847 58.962 58.200 -0.142 0.000 0.973 292 S CB -0.046 63.059 63.200 -0.159 0.000 0.849 292 S HN 0.411 nan 8.310 nan 0.000 0.465 293 R N 0.801 121.193 120.500 -0.182 0.000 2.744 293 R HA 0.381 4.715 4.340 -0.009 0.000 0.279 293 R C -2.978 173.227 176.300 -0.157 0.000 0.977 293 R CA -2.112 53.904 56.100 -0.140 0.000 0.906 293 R CB 1.791 32.020 30.300 -0.118 0.000 1.197 293 R HN 0.092 nan 8.270 nan 0.000 0.463 294 P HA 0.064 nan 4.420 nan 0.000 0.276 294 P C 0.177 177.420 177.300 -0.094 0.000 1.230 294 P CA 0.295 63.348 63.100 -0.079 0.000 0.776 294 P CB 1.060 32.736 31.700 -0.039 0.000 0.888 295 G N 1.915 110.652 108.800 -0.104 0.000 2.179 295 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.257 295 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.257 295 G C 0.210 175.043 174.900 -0.113 0.000 1.010 295 G CA -0.043 45.002 45.100 -0.093 0.000 0.736 295 G HN 0.559 nan 8.290 nan 0.000 0.513 296 K N 0.032 120.328 120.400 -0.172 0.000 2.126 296 K HA 0.402 4.717 4.320 -0.009 0.000 0.257 296 K C 1.080 177.611 176.600 -0.114 0.000 1.007 296 K CA -0.660 55.560 56.287 -0.111 0.000 0.928 296 K CB 0.884 33.323 32.500 -0.103 0.000 1.013 296 K HN 0.351 nan 8.250 nan 0.000 0.473 297 R N 0.836 121.368 120.500 0.054 0.000 2.694 297 R HA 0.065 4.399 4.340 -0.009 0.000 0.268 297 R C -0.066 176.334 176.300 0.166 0.000 1.061 297 R CA -0.024 56.162 56.100 0.143 0.000 1.133 297 R CB 0.080 30.580 30.300 0.333 0.000 1.020 297 R HN 0.405 nan 8.270 nan 0.000 0.475 298 Y N 0.048 120.460 120.300 0.187 0.000 2.511 298 Y HA 0.112 4.656 4.550 -0.010 0.000 0.347 298 Y C 0.546 176.530 175.900 0.140 0.000 1.257 298 Y CA -0.178 58.048 58.100 0.210 0.000 1.469 298 Y CB 0.554 39.123 38.460 0.182 0.000 1.353 298 Y HN 0.130 nan 8.280 nan 0.000 0.617 299 V N 2.741 122.797 119.914 0.237 0.000 2.444 299 V HA 0.290 4.405 4.120 -0.009 0.000 0.294 299 V C -0.460 175.613 176.094 -0.035 0.000 1.022 299 V CA -1.384 60.845 62.300 -0.119 0.000 0.850 299 V CB 1.480 33.115 31.823 -0.313 0.000 0.992 299 V HN 0.614 nan 8.190 nan 0.000 0.426 300 K N 3.579 123.894 120.400 -0.141 0.000 2.240 300 K HA 0.659 4.974 4.320 -0.009 0.000 0.271 300 K C -0.041 176.488 176.600 -0.119 0.000 1.018 300 K CA -0.269 55.962 56.287 -0.093 0.000 0.874 300 K CB 1.300 33.746 32.500 -0.089 0.000 1.098 300 K HN 0.880 nan 8.250 nan 0.000 0.458 301 T N -0.037 114.504 114.554 -0.021 0.000 2.932 301 T HA 0.369 4.713 4.350 -0.009 0.000 0.289 301 T C -0.058 174.660 174.700 0.030 0.000 1.039 301 T CA -0.973 61.129 62.100 0.004 0.000 1.024 301 T CB 1.368 70.294 68.868 0.096 0.000 1.090 301 T HN 0.516 nan 8.240 nan 0.000 0.496 302 S N 1.275 117.004 115.700 0.048 0.000 2.549 302 S HA 0.519 4.984 4.470 -0.009 0.000 0.279 302 S C -0.472 174.145 174.600 0.028 0.000 1.321 302 S CA -0.874 57.352 58.200 0.043 0.000 1.054 302 S CB 0.277 63.528 63.200 0.084 0.000 0.899 302 S HN 0.891 nan 8.310 nan 0.000 0.497 303 L N 2.424 123.629 121.223 -0.029 0.000 2.555 303 L HA 0.427 4.762 4.340 -0.009 0.000 0.264 303 L C -0.481 176.303 176.870 -0.143 0.000 0.972 303 L CA -0.032 54.745 54.840 -0.104 0.000 0.876 303 L CB 1.942 43.852 42.059 -0.248 0.000 1.216 303 L HN 0.751 nan 8.230 nan 0.000 0.415 304 S N 6.246 121.941 115.700 -0.008 0.000 3.983 304 S HA 0.431 4.896 4.470 -0.009 0.000 0.194 304 S C 0.147 174.651 174.600 -0.159 0.000 1.464 304 S CA -0.391 57.798 58.200 -0.018 0.000 1.021 304 S CB -1.137 62.126 63.200 0.105 0.000 1.424 304 S HN 0.546 nan 8.310 nan 0.000 0.473 305 I N -1.339 118.984 120.570 -0.411 0.000 2.750 305 I HA 0.688 4.853 4.170 -0.009 0.000 0.308 305 I C -0.526 175.398 176.117 -0.322 0.000 1.016 305 I CA -1.479 59.518 61.300 -0.504 0.000 1.098 305 I CB 1.040 38.491 38.000 -0.914 0.000 1.279 305 I HN 0.067 nan 8.210 nan 0.000 0.454 306 L N 3.789 124.854 121.223 -0.262 0.000 2.265 306 L HA 0.490 4.824 4.340 -0.009 0.000 0.288 306 L C -0.969 175.770 176.870 -0.219 0.000 1.058 306 L CA 0.466 55.190 54.840 -0.193 0.000 0.809 306 L CB 0.277 42.262 42.059 -0.123 0.000 1.179 306 L HN 0.804 nan 8.230 nan 0.000 0.429 307 N N 4.755 123.333 118.700 -0.202 0.000 2.793 307 N HA 0.385 5.120 4.740 -0.009 0.000 0.251 307 N C 0.025 175.409 175.510 -0.210 0.000 1.308 307 N CA -0.052 52.876 53.050 -0.202 0.000 0.781 307 N CB 0.533 38.884 38.487 -0.226 0.000 1.439 307 N HN 0.776 nan 8.380 nan 0.000 0.562 308 M N -1.251 118.217 119.600 -0.219 0.000 2.860 308 M HA -0.237 4.238 4.480 -0.009 0.000 0.166 308 M C 0.685 176.848 176.300 -0.228 0.000 0.669 308 M CA 2.175 57.284 55.300 -0.318 0.000 0.635 308 M CB -1.369 30.872 32.600 -0.598 0.000 2.308 308 M HN 0.503 nan 8.290 nan 0.000 0.268 314 L N 0.102 121.350 121.223 0.042 0.000 2.562 314 L HA 0.887 5.222 4.340 -0.009 0.000 0.266 314 L C 0.266 177.175 176.870 0.065 0.000 0.949 314 L CA -0.161 54.708 54.840 0.047 0.000 0.879 314 L CB 1.125 43.199 42.059 0.025 0.000 1.278 314 L HN 1.872 nan 8.230 nan 0.000 0.404 315 S N 2.550 118.269 115.700 0.033 0.000 2.525 315 S HA 0.773 5.238 4.470 -0.009 0.000 0.278 315 S C -1.670 172.877 174.600 -0.088 0.000 1.234 315 S CA -0.836 57.340 58.200 -0.041 0.000 1.058 315 S CB 1.560 64.560 63.200 -0.333 0.000 0.983 315 S HN 0.691 nan 8.310 nan 0.000 0.495 316 P HA -0.021 nan 4.420 nan 0.000 0.225 316 P C 1.177 178.578 177.300 0.168 0.000 1.156 316 P CA 0.747 63.903 63.100 0.094 0.000 0.787 316 P CB -0.376 31.375 31.700 0.085 0.000 0.802 317 Y N -2.555 117.768 120.300 0.038 0.000 2.439 317 Y HA -0.048 4.497 4.550 -0.009 0.000 0.292 317 Y C 1.623 177.492 175.900 -0.052 0.000 1.130 317 Y CA 0.672 58.749 58.100 -0.039 0.000 1.254 317 Y CB -1.659 36.714 38.460 -0.145 0.000 1.000 317 Y HN -0.178 nan 8.280 nan 0.000 0.554 318 Y N -0.515 119.521 120.300 -0.439 0.000 2.517 318 Y HA 0.078 4.623 4.550 -0.009 0.000 0.281 318 Y C 2.010 177.854 175.900 -0.094 0.000 1.125 318 Y CA -0.164 57.790 58.100 -0.242 0.000 1.283 318 Y CB -0.223 38.047 38.460 -0.317 0.000 1.042 318 Y HN 0.182 nan 8.280 nan 0.000 0.547 319 M N -0.566 119.079 119.600 0.076 0.000 2.557 319 M HA 0.054 4.529 4.480 -0.009 0.000 0.259 319 M C 2.125 178.501 176.300 0.126 0.000 1.086 319 M CA 0.736 56.095 55.300 0.097 0.000 1.096 319 M CB -1.290 31.360 32.600 0.083 0.000 1.424 319 M HN 0.287 nan 8.290 nan 0.000 0.488 320 A N 0.161 123.065 122.820 0.139 0.000 1.854 320 A HA 0.123 4.438 4.320 -0.009 0.000 0.214 320 A C 2.258 179.862 177.584 0.032 0.000 1.192 320 A CA 1.671 53.743 52.037 0.059 0.000 0.611 320 A CB -1.120 17.864 19.000 -0.026 0.000 0.832 320 A HN 0.482 nan 8.150 nan 0.000 0.442 321 G N -1.977 106.860 108.800 0.061 0.000 3.042 321 G HA2 0.188 4.142 3.960 -0.009 0.000 0.212 321 G HA3 0.188 4.142 3.960 -0.009 0.000 0.212 321 G C 1.190 176.119 174.900 0.048 0.000 1.166 321 G CA 1.052 46.183 45.100 0.053 0.000 0.767 321 G HN 0.370 nan 8.290 nan 0.000 0.546 322 T N 2.179 116.762 114.554 0.048 0.000 2.622 322 T HA -0.089 4.256 4.350 -0.009 0.000 0.266 322 T C 0.149 174.871 174.700 0.036 0.000 1.047 322 T CA 1.616 63.741 62.100 0.040 0.000 1.159 322 T CB -0.612 68.282 68.868 0.043 0.000 0.863 322 T HN 0.214 nan 8.240 nan 0.000 0.422 323 P HA 0.019 nan 4.420 nan 0.000 0.216 323 P C 1.360 178.685 177.300 0.041 0.000 1.150 323 P CA 1.177 64.288 63.100 0.019 0.000 0.837 323 P CB -0.184 31.499 31.700 -0.029 0.000 0.786 324 A N -0.497 122.346 122.820 0.039 0.000 1.877 324 A HA -0.180 4.135 4.320 -0.009 0.000 0.216 324 A C 2.208 179.852 177.584 0.099 0.000 1.186 324 A CA 1.445 53.519 52.037 0.063 0.000 0.620 324 A CB -1.663 17.362 19.000 0.042 0.000 0.822 324 A HN 0.095 nan 8.150 nan 0.000 0.443 325 I N 0.185 120.802 120.570 0.078 0.000 2.194 325 I HA -0.323 3.841 4.170 -0.009 0.000 0.246 325 I C 2.350 178.556 176.117 0.149 0.000 1.093 325 I CA 1.468 62.826 61.300 0.096 0.000 1.355 325 I CB -0.434 37.598 38.000 0.053 0.000 1.046 325 I HN 0.423 nan 8.210 nan 0.000 0.413 326 N N 0.218 118.989 118.700 0.118 0.000 2.171 326 N HA -0.206 4.528 4.740 -0.009 0.000 0.184 326 N C 1.843 177.443 175.510 0.149 0.000 1.021 326 N CA 1.151 54.277 53.050 0.126 0.000 0.854 326 N CB -0.066 38.471 38.487 0.082 0.000 0.994 326 N HN 0.442 nan 8.380 nan 0.000 0.426 327 E N 0.244 120.522 120.200 0.131 0.000 2.077 327 E HA -0.217 4.128 4.350 -0.009 0.000 0.193 327 E C 1.864 178.561 176.600 0.162 0.000 0.989 327 E CA 0.893 57.376 56.400 0.137 0.000 0.800 327 E CB -0.127 29.637 29.700 0.106 0.000 0.746 327 E HN 0.358 nan 8.360 nan 0.000 0.452 328 Y N 0.748 121.093 120.300 0.074 0.000 2.145 328 Y HA -0.209 4.336 4.550 -0.009 0.000 0.286 328 Y C 1.977 177.916 175.900 0.066 0.000 1.145 328 Y CA 2.003 60.138 58.100 0.058 0.000 1.148 328 Y CB -0.083 38.399 38.460 0.036 0.000 0.981 328 Y HN 0.044 nan 8.280 nan 0.000 0.507 329 I N -0.849 119.829 120.570 0.180 0.000 2.315 329 I HA -0.313 3.851 4.170 -0.009 0.000 0.248 329 I C 2.310 178.475 176.117 0.080 0.000 1.117 329 I CA 1.736 63.117 61.300 0.135 0.000 1.404 329 I CB -0.460 37.690 38.000 0.249 0.000 1.071 329 I HN 0.295 nan 8.210 nan 0.000 0.419 330 H N 1.024 120.111 119.070 0.027 0.000 2.353 330 H HA -0.180 4.371 4.556 -0.009 0.000 0.300 330 H C 1.751 177.060 175.328 -0.032 0.000 1.090 330 H CA 1.907 57.965 56.048 0.017 0.000 1.327 330 H CB 0.005 29.785 29.762 0.030 0.000 1.383 330 H HN 0.210 nan 8.280 nan 0.000 0.508 331 D N -0.106 120.242 120.400 -0.086 0.000 2.144 331 D HA -0.124 4.511 4.640 -0.009 0.000 0.200 331 D C 2.268 178.427 176.300 -0.234 0.000 0.978 331 D CA 0.759 54.663 54.000 -0.160 0.000 0.833 331 D CB -0.400 40.331 40.800 -0.114 0.000 0.961 331 D HN 0.313 nan 8.370 nan 0.000 0.470 332 L N 0.945 121.973 121.223 -0.325 0.000 1.989 332 L HA -0.131 4.204 4.340 -0.009 0.000 0.211 332 L C 2.120 178.854 176.870 -0.226 0.000 1.071 332 L CA 1.516 56.148 54.840 -0.347 0.000 0.749 332 L CB -0.594 41.193 42.059 -0.453 0.000 0.890 332 L HN -0.014 nan 8.230 nan 0.000 0.431 333 I N -1.034 119.447 120.570 -0.149 0.000 2.226 333 I HA -0.281 3.884 4.170 -0.009 0.000 0.245 333 I C 2.276 178.357 176.117 -0.061 0.000 1.100 333 I CA 1.386 62.670 61.300 -0.027 0.000 1.374 333 I CB -0.410 37.631 38.000 0.068 0.000 1.057 333 I HN 0.230 nan 8.210 nan 0.000 0.413 334 S N 0.646 116.234 115.700 -0.187 0.000 2.423 334 S HA -0.047 4.417 4.470 -0.009 0.000 0.231 334 S C 1.983 176.540 174.600 -0.072 0.000 1.014 334 S CA 1.146 59.245 58.200 -0.170 0.000 0.965 334 S CB -0.152 62.885 63.200 -0.273 0.000 0.785 334 S HN 0.543 nan 8.310 nan 0.000 0.495 335 A N 0.674 123.458 122.820 -0.059 0.000 2.238 335 A HA 0.115 4.430 4.320 -0.009 0.000 0.210 335 A C 0.702 178.318 177.584 0.054 0.000 1.179 335 A CA -0.013 52.017 52.037 -0.011 0.000 0.827 335 A CB 0.072 19.055 19.000 -0.029 0.000 0.856 335 A HN 0.311 nan 8.150 nan 0.000 0.488 336 D N 0.348 120.802 120.400 0.090 0.000 2.317 336 D HA 0.219 4.854 4.640 -0.009 0.000 0.234 336 D C -1.751 174.658 176.300 0.181 0.000 1.112 336 D CA -1.868 52.258 54.000 0.210 0.000 0.840 336 D CB 1.736 42.749 40.800 0.355 0.000 1.078 336 D HN 0.053 nan 8.370 nan 0.000 0.486 337 P HA -0.088 nan 4.420 nan 0.000 0.219 337 P C 1.546 178.920 177.300 0.123 0.000 1.150 337 P CA 0.540 63.714 63.100 0.124 0.000 0.814 337 P CB 0.150 31.924 31.700 0.124 0.000 0.787 338 W N 1.033 122.362 121.300 0.049 0.000 2.355 338 W HA -0.108 4.546 4.660 -0.009 0.000 0.309 338 W C 2.277 178.743 176.519 -0.089 0.000 1.206 338 W CA 1.292 58.622 57.345 -0.025 0.000 1.284 338 W CB -0.894 28.503 29.460 -0.105 0.000 1.145 338 W HN -0.252 nan 8.180 nan 0.000 0.502 339 L N 0.091 121.400 121.223 0.144 0.000 2.056 339 L HA -0.195 4.140 4.340 -0.009 0.000 0.207 339 L C 2.789 179.617 176.870 -0.071 0.000 1.078 339 L CA 1.354 56.236 54.840 0.071 0.000 0.749 339 L CB -0.897 41.330 42.059 0.280 0.000 0.901 339 L HN -0.093 nan 8.230 nan 0.000 0.433 340 R N -0.117 120.360 120.500 -0.039 0.000 2.096 340 R HA -0.219 4.116 4.340 -0.009 0.000 0.240 340 R C 2.307 178.517 176.300 -0.150 0.000 1.139 340 R CA 1.724 57.781 56.100 -0.071 0.000 0.952 340 R CB -0.433 29.846 30.300 -0.034 0.000 0.854 340 R HN 0.398 nan 8.270 nan 0.000 0.436 341 A N 0.967 123.644 122.820 -0.238 0.000 1.968 341 A HA -0.152 4.163 4.320 -0.009 0.000 0.217 341 A C 1.905 179.258 177.584 -0.385 0.000 1.169 341 A CA 1.259 53.121 52.037 -0.292 0.000 0.638 341 A CB -0.549 18.259 19.000 -0.319 0.000 0.812 341 A HN 0.374 nan 8.150 nan 0.000 0.446 342 N N -0.637 117.713 118.700 -0.584 0.000 2.216 342 N HA -0.021 4.714 4.740 -0.009 0.000 0.183 342 N C 1.334 176.684 175.510 -0.265 0.000 1.017 342 N CA 1.825 54.549 53.050 -0.544 0.000 0.861 342 N CB -0.034 37.923 38.487 -0.883 0.000 0.986 342 N HN 0.603 nan 8.380 nan 0.000 0.428 343 G N 0.222 108.907 108.800 -0.192 0.000 2.176 343 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.232 343 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.232 343 G C 0.082 174.910 174.900 -0.120 0.000 0.986 343 G CA 0.119 45.133 45.100 -0.144 0.000 0.643 343 G HN 0.438 nan 8.290 nan 0.000 0.522 344 F N 2.442 122.279 119.950 -0.189 0.000 2.607 344 F HA 0.564 5.085 4.527 -0.010 0.000 0.374 344 F C 0.787 176.531 175.800 -0.094 0.000 1.104 344 F CA 0.538 58.453 58.000 -0.142 0.000 1.296 344 F CB 0.458 39.428 39.000 -0.051 0.000 1.085 344 F HN 0.287 nan 8.300 nan 0.000 0.584 345 R N 6.978 127.010 120.500 -0.780 0.000 2.594 345 R HA 0.433 4.767 4.340 -0.009 0.000 0.265 345 R C -1.185 174.842 176.300 -0.455 0.000 1.070 345 R CA -0.911 54.956 56.100 -0.387 0.000 0.909 345 R CB 1.488 31.741 30.300 -0.078 0.000 1.243 345 R HN 0.829 nan 8.270 nan 0.000 0.455 346 I N 0.699 121.157 120.570 -0.186 0.000 2.713 346 I HA 0.398 4.563 4.170 -0.009 0.000 0.300 346 I C -0.647 175.496 176.117 0.045 0.000 1.009 346 I CA -0.749 60.487 61.300 -0.106 0.000 1.305 346 I CB 0.884 38.889 38.000 0.008 0.000 1.430 346 I HN 0.372 nan 8.210 nan 0.000 0.546 347 L N 5.051 126.274 121.223 0.001 0.000 2.255 347 L HA 0.462 4.796 4.340 -0.009 0.000 0.289 347 L C 0.289 177.163 176.870 0.007 0.000 1.046 347 L CA -0.423 54.407 54.840 -0.016 0.000 0.816 347 L CB 0.470 42.498 42.059 -0.052 0.000 1.197 347 L HN 0.645 nan 8.230 nan 0.000 0.427 348 R N 2.320 122.815 120.500 -0.009 0.000 2.489 348 R HA 0.093 4.427 4.340 -0.009 0.000 0.287 348 R C -0.289 176.038 176.300 0.044 0.000 1.053 348 R CA -0.234 55.866 56.100 0.000 0.000 1.036 348 R CB 0.494 30.748 30.300 -0.078 0.000 0.966 348 R HN 0.492 nan 8.270 nan 0.000 0.432 349 E N 2.178 122.413 120.200 0.057 0.000 2.003 349 E HA -0.020 4.325 4.350 -0.009 0.000 0.279 349 E C 1.048 177.700 176.600 0.086 0.000 1.132 349 E CA -0.224 56.227 56.400 0.085 0.000 0.888 349 E CB 0.810 30.549 29.700 0.065 0.000 1.056 349 E HN 0.511 nan 8.360 nan 0.000 0.399 350 V N 0.998 120.982 119.914 0.118 0.000 3.052 350 V HA 0.399 4.514 4.120 -0.009 0.000 0.254 350 V C 0.621 176.752 176.094 0.061 0.000 1.100 350 V CA 0.635 62.981 62.300 0.077 0.000 1.112 350 V CB -0.040 31.827 31.823 0.073 0.000 0.738 350 V HN 0.447 nan 8.190 nan 0.000 0.469 351 A N 0.245 123.150 122.820 0.142 0.000 2.566 351 A HA 0.803 5.117 4.320 -0.009 0.000 0.297 351 A C -0.429 177.330 177.584 0.292 0.000 1.059 351 A CA 0.203 52.279 52.037 0.065 0.000 0.691 351 A CB 1.530 20.578 19.000 0.080 0.000 1.282 351 A HN 1.023 nan 8.150 nan 0.000 0.401 352 S N 1.177 116.921 115.700 0.073 0.000 2.595 352 S HA 0.896 5.360 4.470 -0.009 0.000 0.281 352 S C -0.651 174.062 174.600 0.189 0.000 1.117 352 S CA -0.649 57.671 58.200 0.200 0.000 0.873 352 S CB 1.823 65.073 63.200 0.083 0.000 1.108 352 S HN 1.095 nan 8.310 nan 0.000 0.477 353 M N 1.344 121.086 119.600 0.238 0.000 2.378 353 M HA 0.603 5.078 4.480 -0.009 0.000 0.289 353 M C -1.017 175.270 176.300 -0.023 0.000 1.136 353 M CA -0.243 55.158 55.300 0.169 0.000 0.917 353 M CB 2.293 35.102 32.600 0.348 0.000 1.669 353 M HN 1.112 nan 8.290 nan 0.000 0.461 354 G N 2.838 111.505 108.800 -0.222 0.000 2.590 354 G HA2 0.611 4.565 3.960 -0.009 0.000 0.310 354 G HA3 0.611 4.565 3.960 -0.009 0.000 0.310 354 G C -2.131 172.528 174.900 -0.401 0.000 1.347 354 G CA -0.372 44.549 45.100 -0.299 0.000 0.963 354 G HN 0.606 nan 8.290 nan 0.000 0.494 355 F N 2.703 122.402 119.950 -0.418 0.000 2.410 355 F HA 0.579 5.100 4.527 -0.009 0.000 0.349 355 F C 0.649 176.360 175.800 -0.148 0.000 1.117 355 F CA -1.038 56.744 58.000 -0.365 0.000 1.104 355 F CB 1.105 39.761 39.000 -0.574 0.000 1.122 355 F HN 0.239 nan 8.300 nan 0.000 0.483 356 R N 4.309 124.525 120.500 -0.473 0.000 2.294 356 R HA 0.193 4.528 4.340 -0.009 0.000 0.319 356 R C -0.608 175.384 176.300 -0.513 0.000 0.984 356 R CA -0.767 55.137 56.100 -0.326 0.000 0.861 356 R CB 0.898 30.989 30.300 -0.348 0.000 1.104 356 R HN 0.548 nan 8.270 nan 0.000 0.451 357 N N 3.385 122.090 118.700 0.008 0.000 2.558 357 N HA 0.020 4.755 4.740 -0.009 0.000 0.233 357 N C -0.033 175.526 175.510 0.081 0.000 1.038 357 N CA -0.048 53.076 53.050 0.123 0.000 0.934 357 N CB 0.534 39.173 38.487 0.253 0.000 1.175 357 N HN 0.509 nan 8.380 nan 0.000 0.512 358 Y N 2.467 122.866 120.300 0.166 0.000 2.497 358 Y HA -0.074 4.470 4.550 -0.009 0.000 0.292 358 Y C 1.253 177.116 175.900 -0.062 0.000 1.137 358 Y CA 0.487 58.593 58.100 0.009 0.000 1.285 358 Y CB -0.562 37.849 38.460 -0.083 0.000 0.991 358 Y HN 0.571 nan 8.280 nan 0.000 0.556 359 Y N -2.176 118.189 120.300 0.108 0.000 2.133 359 Y HA -0.266 4.279 4.550 -0.009 0.000 0.287 359 Y C 2.066 177.934 175.900 -0.055 0.000 1.134 359 Y CA 1.431 59.481 58.100 -0.083 0.000 1.133 359 Y CB -0.898 37.365 38.460 -0.328 0.000 0.987 359 Y HN 0.002 nan 8.280 nan 0.000 0.502 360 Y N 0.309 120.730 120.300 0.201 0.000 2.224 360 Y HA -0.188 4.357 4.550 -0.009 0.000 0.289 360 Y C 2.245 178.209 175.900 0.106 0.000 1.146 360 Y CA 1.013 59.181 58.100 0.114 0.000 1.182 360 Y CB -0.743 37.803 38.460 0.145 0.000 0.983 360 Y HN 0.233 nan 8.280 nan 0.000 0.524 361 E N -0.470 119.901 120.200 0.285 0.000 2.106 361 E HA -0.159 4.186 4.350 -0.009 0.000 0.192 361 E C 2.345 179.023 176.600 0.131 0.000 0.984 361 E CA 0.922 57.441 56.400 0.197 0.000 0.806 361 E CB -0.204 29.632 29.700 0.226 0.000 0.750 361 E HN 0.443 nan 8.360 nan 0.000 0.458 362 A N 1.265 124.158 122.820 0.122 0.000 1.930 362 A HA 0.065 4.380 4.320 -0.009 0.000 0.215 362 A C 2.319 179.941 177.584 0.063 0.000 1.176 362 A CA 1.249 53.327 52.037 0.069 0.000 0.632 362 A CB -0.257 18.770 19.000 0.044 0.000 0.819 362 A HN 0.259 nan 8.150 nan 0.000 0.445 363 A N -0.604 122.269 122.820 0.088 0.000 1.968 363 A HA 0.308 4.622 4.320 -0.009 0.000 0.217 363 A C 0.824 178.441 177.584 0.054 0.000 1.169 363 A CA 0.784 52.862 52.037 0.068 0.000 0.638 363 A CB -0.247 18.802 19.000 0.080 0.000 0.812 363 A HN 0.442 nan 8.150 nan 0.000 0.446 364 I N -0.594 120.019 120.570 0.072 0.000 2.468 364 I HA 0.262 4.427 4.170 -0.009 0.000 0.285 364 I C -0.679 175.461 176.117 0.038 0.000 1.039 364 I CA -0.509 60.821 61.300 0.050 0.000 1.074 364 I CB 2.051 40.086 38.000 0.057 0.000 1.228 364 I HN -0.106 nan 8.210 nan 0.000 0.436 365 D N 2.392 122.802 120.400 0.017 0.000 2.323 365 D HA -0.029 4.605 4.640 -0.009 0.000 0.209 365 D C 1.229 177.515 176.300 -0.023 0.000 0.973 365 D CA 0.914 54.913 54.000 -0.002 0.000 0.874 365 D CB 0.355 41.152 40.800 -0.005 0.000 0.930 365 D HN 0.661 nan 8.370 nan 0.000 0.521 366 T N -2.057 112.490 114.554 -0.012 0.000 2.897 366 T HA 0.257 4.602 4.350 -0.009 0.000 0.278 366 T C 0.051 174.731 174.700 -0.033 0.000 0.981 366 T CA -0.983 61.103 62.100 -0.023 0.000 0.973 366 T CB 1.625 70.493 68.868 -0.000 0.000 1.092 366 T HN -0.270 nan 8.240 nan 0.000 0.543 367 D N 0.361 120.740 120.400 -0.035 0.000 2.458 367 D HA 0.353 4.987 4.640 -0.009 0.000 0.243 367 D C -0.341 175.984 176.300 0.041 0.000 1.146 367 D CA 0.808 54.796 54.000 -0.020 0.000 0.877 367 D CB 0.470 41.287 40.800 0.027 0.000 1.176 367 D HN 0.784 nan 8.370 nan 0.000 0.461 368 T N 2.647 117.242 114.554 0.068 0.000 2.932 368 T HA 0.399 4.744 4.350 -0.009 0.000 0.318 368 T C -2.263 172.488 174.700 0.085 0.000 1.265 368 T CA -1.361 60.801 62.100 0.103 0.000 1.036 368 T CB 1.772 70.736 68.868 0.160 0.000 1.209 368 T HN 0.138 nan 8.240 nan 0.000 0.484 369 P HA -0.031 nan 4.420 nan 0.000 0.225 369 P C 0.831 178.015 177.300 -0.194 0.000 1.148 369 P CA 0.986 64.023 63.100 -0.105 0.000 0.779 369 P CB -0.092 31.476 31.700 -0.219 0.000 0.780 370 Y N 0.858 121.083 120.300 -0.125 0.000 2.421 370 Y HA -0.049 4.495 4.550 -0.009 0.000 0.292 370 Y C 2.255 178.069 175.900 -0.142 0.000 1.136 370 Y CA 1.135 59.013 58.100 -0.369 0.000 1.255 370 Y CB -0.533 37.477 38.460 -0.751 0.000 0.991 370 Y HN -0.042 nan 8.280 nan 0.000 0.552 371 K N 0.078 120.581 120.400 0.173 0.000 2.444 371 K HA 0.024 4.338 4.320 -0.009 0.000 0.193 371 K C 0.661 177.438 176.600 0.294 0.000 1.024 371 K CA 0.528 56.976 56.287 0.269 0.000 1.077 371 K CB 0.138 32.767 32.500 0.216 0.000 0.833 371 K HN 0.215 nan 8.250 nan 0.000 0.517 372 K N 0.141 120.675 120.400 0.224 0.000 2.618 372 K HA 0.257 4.571 4.320 -0.009 0.000 0.207 372 K C 0.789 177.496 176.600 0.178 0.000 1.058 372 K CA -0.124 56.278 56.287 0.192 0.000 1.086 372 K CB 0.542 33.125 32.500 0.138 0.000 0.827 372 K HN 0.053 nan 8.250 nan 0.000 0.481 373 M N -0.054 119.709 119.600 0.271 0.000 2.541 373 M HA 0.147 4.622 4.480 -0.009 0.000 0.252 373 M C 0.188 176.596 176.300 0.179 0.000 1.125 373 M CA 0.861 56.293 55.300 0.220 0.000 1.091 373 M CB 0.429 33.233 32.600 0.340 0.000 1.420 373 M HN 0.099 nan 8.290 nan 0.000 0.486 374 F N 1.892 121.880 119.950 0.063 0.000 2.959 374 F HA 0.349 4.871 4.527 -0.009 0.000 0.379 374 F C -0.478 175.352 175.800 0.051 0.000 1.215 374 F CA -0.796 57.181 58.000 -0.037 0.000 1.190 374 F CB 0.734 39.620 39.000 -0.189 0.000 1.574 374 F HN -0.029 nan 8.300 nan 0.000 0.575 375 S N 3.573 119.417 115.700 0.240 0.000 2.607 375 S HA 0.962 5.427 4.470 -0.009 0.000 0.273 375 S C -1.288 173.322 174.600 0.017 0.000 1.148 375 S CA -0.625 57.613 58.200 0.063 0.000 0.833 375 S CB 2.246 65.477 63.200 0.052 0.000 1.130 375 S HN 0.768 nan 8.310 nan 0.000 0.470 376 A N 0.713 123.496 122.820 -0.062 0.000 2.539 376 A HA 0.859 5.173 4.320 -0.009 0.000 0.296 376 A C -1.312 176.135 177.584 -0.227 0.000 1.073 376 A CA -0.841 51.060 52.037 -0.226 0.000 0.700 376 A CB 1.239 19.997 19.000 -0.404 0.000 1.296 376 A HN 1.895 nan 8.150 nan 0.000 0.405 377 L N -2.391 118.632 121.223 -0.333 0.000 2.376 377 L HA 0.874 5.208 4.340 -0.009 0.000 0.258 377 L C -1.230 175.476 176.870 -0.273 0.000 1.013 377 L CA -0.874 53.885 54.840 -0.135 0.000 0.822 377 L CB 1.356 43.432 42.059 0.028 0.000 1.388 377 L HN 0.708 nan 8.230 nan 0.000 0.413 378 W N 1.397 122.767 121.300 0.117 0.000 2.478 378 W HA 0.662 5.317 4.660 -0.009 0.000 0.318 378 W C -0.197 176.399 176.519 0.128 0.000 1.062 378 W CA -0.554 56.878 57.345 0.146 0.000 1.210 378 W CB 2.142 31.698 29.460 0.161 0.000 1.325 378 W HN 0.658 nan 8.180 nan 0.000 0.496 379 R N 1.992 122.701 120.500 0.347 0.000 2.637 379 R HA 0.218 4.553 4.340 -0.009 0.000 0.291 379 R C 0.020 176.520 176.300 0.332 0.000 0.963 379 R CA -0.598 55.673 56.100 0.286 0.000 0.901 379 R CB 1.714 32.144 30.300 0.217 0.000 1.160 379 R HN 0.499 nan 8.270 nan 0.000 0.457 380 E N 1.933 122.252 120.200 0.200 0.000 2.502 380 E HA -0.150 4.195 4.350 -0.009 0.000 0.261 380 E C -0.588 176.100 176.600 0.146 0.000 0.974 380 E CA 0.446 56.915 56.400 0.115 0.000 0.936 380 E CB 0.459 30.170 29.700 0.018 0.000 0.926 380 E HN 0.325 nan 8.360 nan 0.000 0.459 381 N N 4.955 123.659 118.700 0.006 0.000 2.419 381 N HA 0.100 4.835 4.740 -0.009 0.000 0.264 381 N C -1.955 173.470 175.510 -0.142 0.000 1.031 381 N CA -2.094 50.892 53.050 -0.107 0.000 0.951 381 N CB 1.199 39.582 38.487 -0.173 0.000 1.101 381 N HN 0.192 nan 8.380 nan 0.000 0.488 382 P HA -0.036 nan 4.420 nan 0.000 0.225 382 P C 1.573 178.707 177.300 -0.276 0.000 1.156 382 P CA 0.566 63.327 63.100 -0.566 0.000 0.787 382 P CB 0.561 31.693 31.700 -0.946 0.000 0.802 383 L N 0.369 121.516 121.223 -0.126 0.000 2.127 383 L HA -0.138 4.197 4.340 -0.009 0.000 0.211 383 L C 2.497 179.363 176.870 -0.006 0.000 1.089 383 L CA 2.284 57.109 54.840 -0.026 0.000 0.757 383 L CB -1.561 40.546 42.059 0.079 0.000 0.899 383 L HN 0.150 nan 8.230 nan 0.000 0.434 384 T N -3.197 111.341 114.554 -0.028 0.000 3.113 384 T HA -0.017 4.328 4.350 -0.009 0.000 0.263 384 T C 1.296 176.005 174.700 0.014 0.000 1.143 384 T CA 0.563 62.657 62.100 -0.010 0.000 1.090 384 T CB -0.072 68.782 68.868 -0.024 0.000 0.922 384 T HN 0.308 nan 8.240 nan 0.000 0.521 385 L N 0.830 122.071 121.223 0.030 0.000 3.069 385 L HA 0.543 4.877 4.340 -0.009 0.000 0.271 385 L C 0.266 177.255 176.870 0.198 0.000 1.201 385 L CA -0.494 54.420 54.840 0.122 0.000 1.015 385 L CB 0.202 42.360 42.059 0.165 0.000 1.371 385 L HN 0.416 nan 8.230 nan 0.000 0.574 386 I N -3.834 116.813 120.570 0.128 0.000 3.294 386 I HA 0.936 5.101 4.170 -0.009 0.000 0.311 386 I C -0.338 175.813 176.117 0.056 0.000 1.111 386 I CA -0.983 60.381 61.300 0.107 0.000 0.976 386 I CB 1.770 39.841 38.000 0.119 0.000 1.260 386 I HN -0.168 nan 8.210 nan 0.000 0.474 387 A N 1.509 124.352 122.820 0.038 0.000 2.299 387 A HA 0.843 5.158 4.320 -0.009 0.000 0.332 387 A C -2.602 174.996 177.584 0.023 0.000 1.131 387 A CA -1.837 50.215 52.037 0.025 0.000 0.844 387 A CB 0.100 19.109 19.000 0.015 0.000 1.251 387 A HN 0.627 nan 8.150 nan 0.000 0.486 388 P HA 0.181 nan 4.420 nan 0.000 0.264 388 P C 0.849 178.159 177.300 0.017 0.000 1.183 388 P CA 1.728 64.839 63.100 0.018 0.000 0.763 388 P CB 0.563 32.271 31.700 0.014 0.000 0.807 389 G N 1.537 110.349 108.800 0.019 0.000 2.179 389 G HA2 -0.228 3.726 3.960 -0.009 0.000 0.260 389 G HA3 -0.228 3.726 3.960 -0.009 0.000 0.260 389 G C 0.039 174.951 174.900 0.020 0.000 0.977 389 G CA -0.111 45.000 45.100 0.018 0.000 0.641 389 G HN 0.623 nan 8.290 nan 0.000 0.533 390 Q N 0.471 120.284 119.800 0.022 0.000 2.257 390 Q HA 0.590 4.925 4.340 -0.009 0.000 0.262 390 Q C 0.008 176.025 176.000 0.029 0.000 0.997 390 Q CA -0.718 55.099 55.803 0.023 0.000 0.873 390 Q CB 1.487 30.238 28.738 0.021 0.000 1.312 390 Q HN 0.565 nan 8.270 nan 0.000 0.450 391 N N 1.072 119.791 118.700 0.031 0.000 2.697 391 N HA 0.584 5.318 4.740 -0.009 0.000 0.272 391 N C -1.404 174.119 175.510 0.022 0.000 1.381 391 N CA -0.623 52.448 53.050 0.034 0.000 0.797 391 N CB 1.352 39.868 38.487 0.048 0.000 1.523 391 N HN 0.386 nan 8.380 nan 0.000 0.518 392 L N -0.073 121.150 121.223 0.001 0.000 2.354 392 L HA 0.658 4.992 4.340 -0.009 0.000 0.269 392 L C -0.369 176.548 176.870 0.079 0.000 1.005 392 L CA -0.866 53.936 54.840 -0.064 0.000 0.819 392 L CB 1.827 43.615 42.059 -0.451 0.000 1.311 392 L HN 0.699 nan 8.230 nan 0.000 0.423 393 M N -0.156 119.507 119.600 0.105 0.000 2.365 393 M HA 0.380 4.855 4.480 -0.009 0.000 0.287 393 M C -0.462 175.936 176.300 0.163 0.000 1.154 393 M CA -0.502 54.909 55.300 0.184 0.000 0.941 393 M CB 1.904 34.576 32.600 0.120 0.000 1.704 393 M HN 0.409 nan 8.290 nan 0.000 0.479 394 T N 1.924 116.596 114.554 0.197 0.000 2.923 394 T HA 0.029 4.374 4.350 -0.009 0.000 0.304 394 T C 0.873 175.622 174.700 0.081 0.000 1.044 394 T CA 0.342 62.523 62.100 0.134 0.000 1.141 394 T CB 0.331 69.259 68.868 0.100 0.000 1.023 394 T HN 0.895 nan 8.240 nan 0.000 0.533 395 M N 4.635 124.261 119.600 0.043 0.000 2.460 395 M HA 0.008 4.482 4.480 -0.009 0.000 0.263 395 M C 2.206 178.555 176.300 0.082 0.000 1.071 395 M CA 1.590 56.888 55.300 -0.004 0.000 1.096 395 M CB -0.481 32.008 32.600 -0.186 0.000 1.408 395 M HN 0.865 nan 8.290 nan 0.000 0.463 396 A N 0.335 123.213 122.820 0.096 0.000 2.024 396 A HA -0.113 4.201 4.320 -0.009 0.000 0.220 396 A C 2.248 179.905 177.584 0.121 0.000 1.164 396 A CA 1.714 53.837 52.037 0.145 0.000 0.643 396 A CB -0.968 18.080 19.000 0.080 0.000 0.806 396 A HN 0.647 nan 8.150 nan 0.000 0.451 397 A N -0.044 122.824 122.820 0.080 0.000 2.024 397 A HA -0.061 4.254 4.320 -0.009 0.000 0.220 397 A C 2.022 179.649 177.584 0.072 0.000 1.164 397 A CA 1.405 53.473 52.037 0.052 0.000 0.643 397 A CB -0.569 18.439 19.000 0.012 0.000 0.806 397 A HN 0.521 nan 8.150 nan 0.000 0.451 398 L N -0.941 120.327 121.223 0.076 0.000 2.191 398 L HA -0.121 4.214 4.340 -0.009 0.000 0.212 398 L C 1.897 178.760 176.870 -0.012 0.000 1.103 398 L CA 0.838 55.691 54.840 0.021 0.000 0.769 398 L CB -0.529 41.547 42.059 0.028 0.000 0.908 398 L HN 0.387 nan 8.230 nan 0.000 0.438 399 L N -1.574 119.660 121.223 0.019 0.000 2.592 399 L HA 0.054 4.389 4.340 -0.009 0.000 0.227 399 L C 0.816 177.675 176.870 -0.019 0.000 1.127 399 L CA -0.312 54.496 54.840 -0.052 0.000 0.884 399 L CB -0.500 41.498 42.059 -0.102 0.000 1.065 399 L HN 0.189 nan 8.230 nan 0.000 0.457 400 H N 0.625 119.658 119.070 -0.061 0.000 2.848 400 H HA 0.266 4.816 4.556 -0.009 0.000 0.341 400 H C -0.858 174.428 175.328 -0.070 0.000 1.060 400 H CA 0.117 56.129 56.048 -0.060 0.000 1.444 400 H CB 0.742 30.474 29.762 -0.050 0.000 1.446 400 H HN -0.232 nan 8.280 nan 0.000 0.583 401 V N 6.291 125.815 119.914 -0.650 0.000 2.531 401 V HA 0.162 4.277 4.120 -0.009 0.000 0.301 401 V C -0.369 175.305 176.094 -0.699 0.000 1.034 401 V CA -0.940 61.070 62.300 -0.484 0.000 0.865 401 V CB 1.457 33.131 31.823 -0.247 0.000 0.995 401 V HN 1.007 nan 8.190 nan 0.000 0.424 402 D N 5.664 125.817 120.400 -0.412 0.000 2.377 402 D HA 0.252 4.887 4.640 -0.009 0.000 0.245 402 D C -1.974 174.204 176.300 -0.204 0.000 1.196 402 D CA -1.998 51.855 54.000 -0.244 0.000 0.962 402 D CB 0.532 41.310 40.800 -0.036 0.000 1.127 402 D HN 0.221 nan 8.370 nan 0.000 0.471 403 P HA -0.115 nan 4.420 nan 0.000 0.225 403 P C 0.818 178.115 177.300 -0.005 0.000 1.148 403 P CA 1.099 64.133 63.100 -0.109 0.000 0.779 403 P CB 0.076 31.718 31.700 -0.096 0.000 0.780 404 Q N -1.581 118.200 119.800 -0.031 0.000 2.451 404 Q HA 0.196 4.531 4.340 -0.009 0.000 0.206 404 Q C 1.579 177.563 176.000 -0.026 0.000 0.947 404 Q CA 0.923 56.715 55.803 -0.018 0.000 0.937 404 Q CB -0.727 27.998 28.738 -0.021 0.000 1.025 404 Q HN 0.290 nan 8.270 nan 0.000 0.511 405 G N 1.163 109.936 108.800 -0.044 0.000 2.157 405 G HA2 -0.276 3.678 3.960 -0.009 0.000 0.239 405 G HA3 -0.276 3.678 3.960 -0.009 0.000 0.239 405 G C -0.045 174.817 174.900 -0.064 0.000 0.982 405 G CA -0.213 44.856 45.100 -0.051 0.000 0.650 405 G HN 0.268 nan 8.290 nan 0.000 0.527 406 R N 0.574 121.033 120.500 -0.067 0.000 2.297 406 R HA 0.639 4.973 4.340 -0.009 0.000 0.308 406 R C 0.629 176.881 176.300 -0.080 0.000 1.029 406 R CA 0.263 56.325 56.100 -0.062 0.000 0.929 406 R CB 1.257 31.531 30.300 -0.044 0.000 1.046 406 R HN 0.451 nan 8.270 nan 0.000 0.461 407 A N 3.349 126.122 122.820 -0.078 0.000 2.354 407 A HA 0.125 4.440 4.320 -0.009 0.000 0.269 407 A C 1.049 178.599 177.584 -0.057 0.000 1.109 407 A CA -0.492 51.495 52.037 -0.084 0.000 0.800 407 A CB 0.489 19.431 19.000 -0.097 0.000 1.045 407 A HN 0.974 nan 8.150 nan 0.000 0.489 408 L N 2.435 123.650 121.223 -0.014 0.000 2.056 408 L HA -0.100 4.235 4.340 -0.009 0.000 0.207 408 L C 2.168 178.983 176.870 -0.092 0.000 1.078 408 L CA 1.371 56.209 54.840 -0.003 0.000 0.749 408 L CB -0.246 41.856 42.059 0.072 0.000 0.901 408 L HN 0.833 nan 8.230 nan 0.000 0.433 409 L N 0.915 122.057 121.223 -0.136 0.000 1.971 409 L HA -0.145 4.189 4.340 -0.009 0.000 0.215 409 L C -0.586 176.086 176.870 -0.330 0.000 1.072 409 L CA 2.304 56.987 54.840 -0.262 0.000 0.758 409 L CB -1.837 40.058 42.059 -0.273 0.000 0.889 409 L HN 0.178 nan 8.230 nan 0.000 0.433 410 P HA -0.197 nan 4.420 nan 0.000 0.216 410 P C 1.270 178.453 177.300 -0.196 0.000 1.153 410 P CA 1.567 64.533 63.100 -0.223 0.000 0.858 410 P CB -0.192 31.419 31.700 -0.149 0.000 0.789 411 E N -0.548 119.564 120.200 -0.146 0.000 2.110 411 E HA -0.138 4.207 4.350 -0.009 0.000 0.193 411 E C 2.062 178.593 176.600 -0.116 0.000 0.988 411 E CA 0.669 57.006 56.400 -0.105 0.000 0.804 411 E CB -0.888 28.772 29.700 -0.066 0.000 0.745 411 E HN 0.181 nan 8.360 nan 0.000 0.458 412 L N 1.099 122.225 121.223 -0.161 0.000 2.027 412 L HA -0.110 4.225 4.340 -0.009 0.000 0.206 412 L C 2.208 178.943 176.870 -0.225 0.000 1.074 412 L CA 1.361 56.115 54.840 -0.143 0.000 0.745 412 L CB -0.487 41.486 42.059 -0.142 0.000 0.898 412 L HN 0.035 nan 8.230 nan 0.000 0.433 413 I N -0.829 119.440 120.570 -0.501 0.000 2.226 413 I HA -0.334 3.831 4.170 -0.009 0.000 0.245 413 I C 2.575 178.579 176.117 -0.189 0.000 1.100 413 I CA 1.579 62.550 61.300 -0.548 0.000 1.374 413 I CB -0.471 37.119 38.000 -0.685 0.000 1.057 413 I HN 0.473 nan 8.210 nan 0.000 0.413 414 Q N 1.392 121.103 119.800 -0.148 0.000 2.077 414 Q HA -0.268 4.067 4.340 -0.009 0.000 0.206 414 Q C 2.299 178.284 176.000 -0.026 0.000 0.989 414 Q CA 2.296 58.057 55.803 -0.070 0.000 0.853 414 Q CB -0.160 28.539 28.738 -0.064 0.000 0.907 414 Q HN 0.550 nan 8.270 nan 0.000 0.418 415 A N 0.427 123.235 122.820 -0.020 0.000 2.015 415 A HA -0.165 4.150 4.320 -0.009 0.000 0.219 415 A C 2.170 179.788 177.584 0.057 0.000 1.163 415 A CA 1.692 53.740 52.037 0.018 0.000 0.646 415 A CB -0.663 18.351 19.000 0.022 0.000 0.806 415 A HN 0.627 nan 8.150 nan 0.000 0.448 416 S N -1.828 113.929 115.700 0.096 0.000 2.428 416 S HA 0.285 4.750 4.470 -0.009 0.000 0.230 416 S C 1.681 176.353 174.600 0.120 0.000 1.014 416 S CA 1.323 59.623 58.200 0.168 0.000 0.957 416 S CB -0.482 62.944 63.200 0.377 0.000 0.784 416 S HN 1.911 nan 8.310 nan 0.000 0.499 417 G N 0.706 109.555 108.800 0.081 0.000 2.179 417 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.260 417 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.260 417 G C -0.023 174.919 174.900 0.070 0.000 0.977 417 G CA 0.441 45.576 45.100 0.059 0.000 0.641 417 G HN 0.573 nan 8.290 nan 0.000 0.533 418 L N 2.041 123.333 121.223 0.115 0.000 2.379 418 L HA 0.439 4.774 4.340 -0.009 0.000 0.269 418 L C 0.816 177.748 176.870 0.103 0.000 1.084 418 L CA -0.928 53.989 54.840 0.129 0.000 0.802 418 L CB 0.642 42.831 42.059 0.216 0.000 1.175 418 L HN 0.370 nan 8.230 nan 0.000 0.448 419 D N 1.470 121.920 120.400 0.083 0.000 2.368 419 D HA 0.028 4.663 4.640 -0.009 0.000 0.240 419 D C 0.825 177.182 176.300 0.096 0.000 1.169 419 D CA -0.031 54.005 54.000 0.060 0.000 0.906 419 D CB 1.456 42.281 40.800 0.043 0.000 1.187 419 D HN 0.598 nan 8.370 nan 0.000 0.435 420 A N 1.992 124.841 122.820 0.049 0.000 1.908 420 A HA -0.090 4.224 4.320 -0.009 0.000 0.218 420 A C 2.175 179.837 177.584 0.131 0.000 1.181 420 A CA 2.182 54.254 52.037 0.059 0.000 0.627 420 A CB -1.383 17.607 19.000 -0.017 0.000 0.818 420 A HN 0.758 nan 8.150 nan 0.000 0.445 421 G N -1.051 107.797 108.800 0.080 0.000 2.446 421 G HA2 -0.214 3.741 3.960 -0.009 0.000 0.217 421 G HA3 -0.214 3.741 3.960 -0.009 0.000 0.217 421 G C 1.605 176.561 174.900 0.095 0.000 1.168 421 G CA 1.768 46.907 45.100 0.065 0.000 0.771 421 G HN 0.445 nan 8.290 nan 0.000 0.551 422 T N -0.481 114.138 114.554 0.108 0.000 2.701 422 T HA -0.148 4.197 4.350 -0.009 0.000 0.263 422 T C 1.853 176.642 174.700 0.149 0.000 1.040 422 T CA 1.243 63.403 62.100 0.100 0.000 1.147 422 T CB -0.342 68.577 68.868 0.084 0.000 0.865 422 T HN 0.494 nan 8.240 nan 0.000 0.426 423 W N 1.623 122.940 121.300 0.029 0.000 2.318 423 W HA -0.129 4.531 4.660 0.000 0.000 0.313 423 W C 1.871 178.449 176.519 0.098 0.000 1.221 423 W CA 1.123 58.498 57.345 0.050 0.000 1.266 423 W CB -0.458 29.020 29.460 0.029 0.000 1.150 423 W HN 0.159 nan 8.180 nan 0.000 0.496 424 L N 0.111 121.637 121.223 0.505 0.000 2.083 424 L HA -0.217 4.118 4.340 -0.009 0.000 0.209 424 L C 2.380 179.362 176.870 0.186 0.000 1.083 424 L CA 1.656 56.763 54.840 0.444 0.000 0.752 424 L CB -0.795 41.468 42.059 0.340 0.000 0.899 424 L HN 0.054 nan 8.230 nan 0.000 0.433 425 E N -0.493 119.751 120.200 0.074 0.000 2.077 425 E HA -0.190 4.155 4.350 -0.009 0.000 0.193 425 E C 2.351 178.936 176.600 -0.025 0.000 0.989 425 E CA 0.717 57.115 56.400 -0.003 0.000 0.800 425 E CB 0.060 29.757 29.700 -0.006 0.000 0.746 425 E HN 0.311 nan 8.360 nan 0.000 0.452 426 R N 0.211 120.676 120.500 -0.058 0.000 2.091 426 R HA -0.185 4.150 4.340 -0.009 0.000 0.238 426 R C 2.245 178.471 176.300 -0.123 0.000 1.136 426 R CA 1.431 57.456 56.100 -0.126 0.000 0.959 426 R CB -1.051 29.102 30.300 -0.244 0.000 0.856 426 R HN 0.425 nan 8.270 nan 0.000 0.437 427 Y N 1.230 121.361 120.300 -0.282 0.000 2.145 427 Y HA -0.205 4.341 4.550 -0.007 0.000 0.286 427 Y C 2.254 178.198 175.900 0.073 0.000 1.145 427 Y CA 1.370 59.355 58.100 -0.192 0.000 1.148 427 Y CB -0.141 38.187 38.460 -0.220 0.000 0.981 427 Y HN -0.234 nan 8.280 nan 0.000 0.507 428 V N 0.845 120.634 119.914 -0.209 0.000 2.343 428 V HA -0.292 3.823 4.120 -0.009 0.000 0.247 428 V C 1.791 177.819 176.094 -0.111 0.000 1.051 428 V CA 2.283 64.457 62.300 -0.210 0.000 1.036 428 V CB -0.601 31.140 31.823 -0.137 0.000 0.654 428 V HN 0.454 nan 8.190 nan 0.000 0.451 429 D N -0.068 120.298 120.400 -0.055 0.000 2.269 429 D HA -0.017 4.618 4.640 -0.009 0.000 0.208 429 D C 2.078 178.381 176.300 0.005 0.000 0.963 429 D CA 1.318 55.324 54.000 0.008 0.000 0.864 429 D CB 0.031 40.849 40.800 0.030 0.000 0.936 429 D HN 0.459 nan 8.370 nan 0.000 0.505 430 A N -0.666 122.142 122.820 -0.021 0.000 2.021 430 A HA -0.102 4.213 4.320 -0.009 0.000 0.216 430 A C 1.859 179.505 177.584 0.103 0.000 1.163 430 A CA 0.725 52.773 52.037 0.019 0.000 0.676 430 A CB -0.186 18.817 19.000 0.006 0.000 0.818 430 A HN 0.302 nan 8.150 nan 0.000 0.453 431 Y N -1.228 118.999 120.300 -0.123 0.000 2.439 431 Y HA 0.294 4.839 4.550 -0.008 0.000 0.281 431 Y C 1.696 177.523 175.900 -0.122 0.000 1.145 431 Y CA 0.794 58.826 58.100 -0.114 0.000 1.252 431 Y CB -0.450 37.845 38.460 -0.275 0.000 1.271 431 Y HN 0.111 nan 8.280 nan 0.000 0.516 432 L N 0.189 121.119 121.223 -0.488 0.000 2.068 432 L HA 0.002 4.337 4.340 -0.009 0.000 0.204 432 L C 2.071 178.744 176.870 -0.328 0.000 1.076 432 L CA 2.621 57.143 54.840 -0.530 0.000 0.753 432 L CB -1.120 40.834 42.059 -0.174 0.000 0.910 432 L HN 0.320 nan 8.230 nan 0.000 0.439 433 T N 0.889 115.333 114.554 -0.182 0.000 2.684 433 T HA -0.103 4.242 4.350 -0.009 0.000 0.267 433 T C -0.611 173.958 174.700 -0.219 0.000 1.036 433 T CA 1.977 63.984 62.100 -0.155 0.000 1.148 433 T CB -1.298 67.619 68.868 0.081 0.000 0.863 433 T HN 0.333 nan 8.240 nan 0.000 0.436 434 P HA 0.065 nan 4.420 nan 0.000 0.218 434 P C 1.488 178.542 177.300 -0.410 0.000 1.149 434 P CA 0.733 63.722 63.100 -0.184 0.000 0.817 434 P CB -0.252 31.140 31.700 -0.512 0.000 0.785 435 L N -1.344 119.607 121.223 -0.454 0.000 2.056 435 L HA -0.137 4.197 4.340 -0.009 0.000 0.207 435 L C 2.467 179.175 176.870 -0.271 0.000 1.078 435 L CA 1.339 55.990 54.840 -0.315 0.000 0.749 435 L CB -0.800 41.059 42.059 -0.333 0.000 0.901 435 L HN -0.095 nan 8.230 nan 0.000 0.433 436 I N -0.815 119.542 120.570 -0.355 0.000 2.226 436 I HA -0.333 3.832 4.170 -0.009 0.000 0.245 436 I C 2.623 178.526 176.117 -0.357 0.000 1.100 436 I CA 1.390 62.468 61.300 -0.369 0.000 1.374 436 I CB -0.289 37.475 38.000 -0.394 0.000 1.057 436 I HN 0.314 nan 8.210 nan 0.000 0.413 437 H N 0.002 118.685 119.070 -0.646 0.000 2.326 437 H HA -0.188 4.363 4.556 -0.009 0.000 0.301 437 H C 2.395 177.612 175.328 -0.186 0.000 1.081 437 H CA 2.167 57.893 56.048 -0.536 0.000 1.334 437 H CB -0.203 29.108 29.762 -0.752 0.000 1.385 437 H HN 0.315 nan 8.280 nan 0.000 0.504 438 C N 0.111 119.386 119.300 -0.041 0.000 2.413 438 C HA -0.140 4.315 4.460 -0.009 0.000 0.276 438 C C 2.640 177.576 174.990 -0.089 0.000 1.248 438 C CA 1.220 60.276 59.018 0.064 0.000 1.742 438 C CB -1.508 26.332 27.740 0.166 0.000 2.017 438 C HN 0.704 nan 8.230 nan 0.000 0.481 439 F N 0.017 119.781 119.950 -0.310 0.000 2.084 439 F HA -0.096 4.425 4.527 -0.009 0.000 0.296 439 F C 2.180 177.738 175.800 -0.404 0.000 1.111 439 F CA 1.609 59.359 58.000 -0.417 0.000 1.224 439 F CB -0.752 37.887 39.000 -0.602 0.000 0.991 439 F HN 0.219 nan 8.300 nan 0.000 0.471 440 Y N 0.402 120.480 120.300 -0.369 0.000 2.200 440 Y HA -0.043 4.501 4.550 -0.009 0.000 0.290 440 Y C 2.619 178.216 175.900 -0.505 0.000 1.137 440 Y CA 1.291 59.153 58.100 -0.397 0.000 1.163 440 Y CB -1.343 37.132 38.460 0.025 0.000 0.988 440 Y HN 0.178 nan 8.280 nan 0.000 0.518 441 A N -1.253 121.264 122.820 -0.505 0.000 1.930 441 A HA -0.077 4.238 4.320 -0.009 0.000 0.215 441 A C 1.368 178.470 177.584 -0.805 0.000 1.176 441 A CA 1.518 53.097 52.037 -0.763 0.000 0.632 441 A CB -0.383 17.869 19.000 -1.248 0.000 0.819 441 A HN 0.527 nan 8.150 nan 0.000 0.445 442 H N -1.575 117.337 119.070 -0.263 0.000 3.233 442 H HA 0.126 4.676 4.556 -0.009 0.000 0.263 442 H C -0.504 174.694 175.328 -0.216 0.000 1.168 442 H CA 0.205 56.151 56.048 -0.170 0.000 1.159 442 H CB 0.500 30.216 29.762 -0.076 0.000 1.593 442 H HN 0.403 nan 8.280 nan 0.000 0.580 443 D N 0.704 120.913 120.400 -0.318 0.000 2.983 443 D HA -0.190 4.445 4.640 -0.009 0.000 0.225 443 D C 0.089 176.287 176.300 -0.170 0.000 1.174 443 D CA 0.399 54.172 54.000 -0.379 0.000 0.831 443 D CB -1.249 39.379 40.800 -0.286 0.000 1.104 443 D HN 0.247 nan 8.370 nan 0.000 0.421 444 L N 0.801 121.944 121.223 -0.134 0.000 2.264 444 L HA 0.448 4.782 4.340 -0.009 0.000 0.289 444 L C -0.157 176.504 176.870 -0.347 0.000 1.044 444 L CA -0.598 54.120 54.840 -0.203 0.000 0.807 444 L CB 1.620 43.600 42.059 -0.131 0.000 1.192 444 L HN -0.020 nan 8.230 nan 0.000 0.425 445 V N 1.906 121.546 119.914 -0.458 0.000 3.001 445 V HA 0.711 4.826 4.120 -0.009 0.000 0.314 445 V C -0.627 175.106 176.094 -0.603 0.000 1.099 445 V CA -0.603 61.440 62.300 -0.428 0.000 0.989 445 V CB 1.751 33.465 31.823 -0.181 0.000 1.040 445 V HN 0.691 nan 8.190 nan 0.000 0.434 446 F N 1.728 121.676 119.950 -0.003 0.000 2.979 446 F HA 0.814 5.336 4.527 -0.009 0.000 0.370 446 F C 0.037 175.818 175.800 -0.033 0.000 1.320 446 F CA -1.027 56.977 58.000 0.007 0.000 1.095 446 F CB 1.419 40.455 39.000 0.060 0.000 1.553 446 F HN 0.577 nan 8.300 nan 0.000 0.493 447 M N 3.732 123.432 119.600 0.167 0.000 2.182 447 M HA 0.403 4.878 4.480 -0.009 0.000 0.285 447 M C -2.609 173.620 176.300 -0.119 0.000 0.956 447 M CA -2.892 52.397 55.300 -0.018 0.000 0.878 447 M CB 0.566 33.104 32.600 -0.104 0.000 1.373 447 M HN 0.020 nan 8.290 nan 0.000 0.393 448 P HA 0.161 nan 4.420 nan 0.000 0.220 448 P C -0.948 176.423 177.300 0.119 0.000 1.778 448 P CA 0.027 63.184 63.100 0.096 0.000 0.912 448 P CB -1.009 30.774 31.700 0.139 0.000 1.861 449 H N -2.230 116.894 119.070 0.089 0.000 2.497 449 H HA 0.494 5.045 4.556 -0.009 0.000 0.348 449 H C 1.755 177.013 175.328 -0.116 0.000 1.335 449 H CA -0.401 55.656 56.048 0.015 0.000 1.395 449 H CB -0.652 29.162 29.762 0.086 0.000 1.658 449 H HN -0.048 nan 8.280 nan 0.000 0.613 450 G N -0.685 108.151 108.800 0.059 0.000 2.469 450 G HA2 -0.302 3.653 3.960 -0.009 0.000 0.220 450 G HA3 -0.302 3.653 3.960 -0.009 0.000 0.220 450 G C 1.308 176.253 174.900 0.076 0.000 1.136 450 G CA 0.918 46.002 45.100 -0.026 0.000 0.759 450 G HN 0.730 nan 8.290 nan 0.000 0.562 451 E N 0.437 120.733 120.200 0.160 0.000 2.230 451 E HA -0.039 4.305 4.350 -0.009 0.000 0.192 451 E C 1.682 178.400 176.600 0.196 0.000 0.987 451 E CA 0.276 56.760 56.400 0.140 0.000 0.841 451 E CB -0.017 29.709 29.700 0.044 0.000 0.783 451 E HN 0.280 nan 8.360 nan 0.000 0.481 452 N N -0.162 118.708 118.700 0.284 0.000 2.422 452 N HA 0.004 4.739 4.740 -0.009 0.000 0.181 452 N C -0.212 175.324 175.510 0.043 0.000 1.080 452 N CA 0.176 53.278 53.050 0.085 0.000 0.893 452 N CB 0.878 39.320 38.487 -0.074 0.000 0.973 452 N HN -0.092 nan 8.380 nan 0.000 0.456 453 V N 1.824 121.772 119.914 0.056 0.000 2.417 453 V HA 0.426 4.541 4.120 -0.009 0.000 0.291 453 V C -0.040 176.092 176.094 0.063 0.000 1.024 453 V CA -0.688 61.640 62.300 0.047 0.000 0.861 453 V CB 1.936 33.761 31.823 0.003 0.000 0.985 453 V HN -0.066 nan 8.190 nan 0.000 0.436 454 I N 5.830 126.462 120.570 0.104 0.000 2.389 454 I HA 0.432 4.597 4.170 -0.009 0.000 0.288 454 I C -0.510 175.685 176.117 0.130 0.000 0.999 454 I CA -0.393 60.984 61.300 0.130 0.000 1.129 454 I CB 1.643 39.724 38.000 0.136 0.000 1.288 454 I HN 0.369 nan 8.210 nan 0.000 0.444 455 L N 6.470 127.749 121.223 0.093 0.000 2.312 455 L HA 0.440 4.775 4.340 -0.009 0.000 0.281 455 L C -0.201 176.696 176.870 0.046 0.000 1.070 455 L CA -0.905 53.974 54.840 0.065 0.000 0.805 455 L CB 1.249 43.357 42.059 0.080 0.000 1.174 455 L HN 0.262 nan 8.230 nan 0.000 0.434 456 V N 4.531 124.436 119.914 -0.015 0.000 2.432 456 V HA 0.270 4.385 4.120 -0.009 0.000 0.271 456 V C 0.346 176.431 176.094 -0.015 0.000 1.046 456 V CA -0.211 62.079 62.300 -0.018 0.000 0.945 456 V CB 0.997 32.761 31.823 -0.099 0.000 0.992 456 V HN 0.390 nan 8.190 nan 0.000 0.471 457 I N 4.983 125.562 120.570 0.015 0.000 2.493 457 I HA 0.484 4.649 4.170 -0.009 0.000 0.298 457 I C -0.090 176.040 176.117 0.022 0.000 0.998 457 I CA -0.425 60.891 61.300 0.027 0.000 1.137 457 I CB 1.687 39.730 38.000 0.072 0.000 1.310 457 I HN 0.707 nan 8.210 nan 0.000 0.445 458 Q N 5.330 125.141 119.800 0.018 0.000 2.397 458 Q HA 0.232 4.567 4.340 -0.009 0.000 0.260 458 Q C -1.242 174.779 176.000 0.035 0.000 1.002 458 Q CA -0.383 55.431 55.803 0.018 0.000 0.716 458 Q CB 0.844 29.580 28.738 -0.003 0.000 1.258 458 Q HN 0.604 nan 8.270 nan 0.000 0.477 459 D N 3.823 124.250 120.400 0.044 0.000 2.735 459 D HA -0.230 4.404 4.640 -0.009 0.000 0.235 459 D C 0.764 177.117 176.300 0.088 0.000 1.175 459 D CA 1.728 55.761 54.000 0.055 0.000 0.683 459 D CB -1.126 39.699 40.800 0.041 0.000 1.008 459 D HN 1.126 nan 8.370 nan 0.000 0.416 460 G N -2.124 106.746 108.800 0.117 0.000 2.225 460 G HA2 -0.331 3.624 3.960 -0.009 0.000 0.254 460 G HA3 -0.331 3.624 3.960 -0.009 0.000 0.254 460 G C 0.396 175.498 174.900 0.336 0.000 0.988 460 G CA 0.274 45.498 45.100 0.208 0.000 0.625 460 G HN 0.641 nan 8.290 nan 0.000 0.527 461 V N 2.289 122.292 119.914 0.148 0.000 2.427 461 V HA 0.533 4.648 4.120 -0.009 0.000 0.286 461 V C -1.960 174.050 176.094 -0.139 0.000 1.034 461 V CA -1.860 60.422 62.300 -0.029 0.000 0.893 461 V CB 1.706 33.504 31.823 -0.043 0.000 0.982 461 V HN 0.128 nan 8.190 nan 0.000 0.452 462 P HA 0.226 nan 4.420 nan 0.000 0.276 462 P C 0.398 177.584 177.300 -0.190 0.000 1.253 462 P CA 0.135 63.078 63.100 -0.261 0.000 0.766 462 P CB 1.331 32.792 31.700 -0.398 0.000 0.845 463 V N 4.019 123.862 119.914 -0.118 0.000 2.922 463 V HA 0.149 4.263 4.120 -0.009 0.000 0.242 463 V C 1.090 177.119 176.094 -0.109 0.000 1.094 463 V CA 1.198 63.433 62.300 -0.108 0.000 1.106 463 V CB -0.400 31.369 31.823 -0.090 0.000 0.799 463 V HN 0.656 nan 8.190 nan 0.000 0.474 464 R N -0.543 119.889 120.500 -0.113 0.000 2.752 464 R HA 0.757 5.092 4.340 -0.009 0.000 0.277 464 R C -1.473 174.740 176.300 -0.145 0.000 1.024 464 R CA -0.302 55.721 56.100 -0.128 0.000 0.866 464 R CB 1.633 31.811 30.300 -0.203 0.000 1.278 464 R HN 0.028 nan 8.270 nan 0.000 0.473 465 A N 0.859 123.595 122.820 -0.139 0.000 2.401 465 A HA 0.794 5.109 4.320 -0.009 0.000 0.310 465 A C -1.479 175.881 177.584 -0.374 0.000 1.075 465 A CA -0.757 51.214 52.037 -0.111 0.000 0.746 465 A CB 1.102 20.200 19.000 0.163 0.000 1.277 465 A HN 0.460 nan 8.150 nan 0.000 0.425 466 F N 0.758 120.622 119.950 -0.143 0.000 2.422 466 F HA 0.628 5.149 4.527 -0.010 0.000 0.333 466 F C 0.298 175.934 175.800 -0.274 0.000 1.095 466 F CA -0.521 57.324 58.000 -0.257 0.000 1.038 466 F CB 2.194 41.103 39.000 -0.151 0.000 1.156 466 F HN 0.526 nan 8.300 nan 0.000 0.483 467 M N 5.212 124.668 119.600 -0.240 0.000 2.227 467 M HA 0.353 4.828 4.480 -0.009 0.000 0.335 467 M C -0.827 175.385 176.300 -0.146 0.000 1.053 467 M CA -0.374 54.778 55.300 -0.248 0.000 0.973 467 M CB 0.974 33.244 32.600 -0.550 0.000 1.623 467 M HN 0.606 nan 8.290 nan 0.000 0.434 468 K N 1.814 122.165 120.400 -0.081 0.000 2.313 468 K HA 0.699 5.013 4.320 -0.009 0.000 0.235 468 K C -1.010 175.569 176.600 -0.035 0.000 1.035 468 K CA -0.741 55.508 56.287 -0.063 0.000 0.868 468 K CB 1.070 33.514 32.500 -0.093 0.000 1.232 468 K HN 0.591 nan 8.250 nan 0.000 0.459 469 D N 0.431 120.815 120.400 -0.028 0.000 3.061 469 D HA -0.105 4.530 4.640 -0.009 0.000 0.252 469 D C -0.123 176.199 176.300 0.037 0.000 1.080 469 D CA 0.252 54.247 54.000 -0.008 0.000 0.871 469 D CB -0.548 40.246 40.800 -0.010 0.000 1.018 469 D HN 0.599 nan 8.370 nan 0.000 0.425 470 I N 0.676 121.276 120.570 0.051 0.000 2.681 470 I HA 0.116 4.281 4.170 -0.009 0.000 0.247 470 I C 2.688 178.844 176.117 0.064 0.000 1.091 470 I CA 1.160 62.531 61.300 0.117 0.000 1.442 470 I CB -1.530 36.550 38.000 0.135 0.000 1.219 470 I HN 0.336 nan 8.210 nan 0.000 0.451 471 A N 0.453 123.282 122.820 0.015 0.000 1.933 471 A HA -0.177 4.137 4.320 -0.009 0.000 0.218 471 A C 2.133 179.628 177.584 -0.149 0.000 1.175 471 A CA 1.547 53.560 52.037 -0.040 0.000 0.628 471 A CB -0.594 18.387 19.000 -0.031 0.000 0.814 471 A HN 0.474 nan 8.150 nan 0.000 0.444 472 E N -0.943 119.159 120.200 -0.163 0.000 2.435 472 E HA -0.047 4.298 4.350 -0.009 0.000 0.195 472 E C 1.114 177.618 176.600 -0.160 0.000 1.029 472 E CA 0.582 56.824 56.400 -0.263 0.000 0.865 472 E CB 0.171 29.761 29.700 -0.185 0.000 0.833 472 E HN 0.582 nan 8.360 nan 0.000 0.510 473 E N -0.331 119.828 120.200 -0.068 0.000 2.485 473 E HA 0.141 4.485 4.350 -0.009 0.000 0.213 473 E C 0.113 176.707 176.600 -0.010 0.000 0.923 473 E CA 0.095 56.483 56.400 -0.020 0.000 1.054 473 E CB 1.048 30.759 29.700 0.020 0.000 1.077 473 E HN -0.086 nan 8.360 nan 0.000 0.509 474 S N 0.844 116.535 115.700 -0.015 0.000 2.585 474 S HA 0.496 4.961 4.470 -0.009 0.000 0.277 474 S C -0.031 174.506 174.600 -0.105 0.000 1.241 474 S CA -0.306 57.849 58.200 -0.074 0.000 1.041 474 S CB 1.592 64.772 63.200 -0.035 0.000 0.987 474 S HN -0.096 nan 8.310 nan 0.000 0.512 475 S N 1.257 116.866 115.700 -0.152 0.000 2.540 475 S HA 0.488 4.953 4.470 -0.009 0.000 0.275 475 S C -0.866 173.658 174.600 -0.126 0.000 1.123 475 S CA -0.644 57.489 58.200 -0.111 0.000 0.907 475 S CB 0.932 64.083 63.200 -0.081 0.000 1.081 475 S HN 0.580 nan 8.310 nan 0.000 0.476 476 I N 3.018 123.535 120.570 -0.087 0.000 2.297 476 I HA 0.240 4.405 4.170 -0.009 0.000 0.291 476 I C -0.220 175.858 176.117 -0.065 0.000 1.033 476 I CA -0.390 60.866 61.300 -0.074 0.000 1.253 476 I CB 0.699 38.675 38.000 -0.041 0.000 1.396 476 I HN 0.473 nan 8.210 nan 0.000 0.476 477 L N 6.602 127.781 121.223 -0.074 0.000 2.650 477 L HA 0.201 4.536 4.340 -0.009 0.000 0.239 477 L C 0.030 176.865 176.870 -0.058 0.000 1.412 477 L CA 0.129 54.936 54.840 -0.055 0.000 1.219 477 L CB -1.115 40.921 42.059 -0.037 0.000 1.534 477 L HN 0.579 nan 8.230 nan 0.000 0.430 478 N N 0.621 119.294 118.700 -0.044 0.000 2.812 478 N HA 0.209 4.944 4.740 -0.009 0.000 0.262 478 N C -2.331 173.164 175.510 -0.025 0.000 1.241 478 N CA -1.191 51.839 53.050 -0.032 0.000 0.854 478 N CB 1.881 40.342 38.487 -0.042 0.000 1.506 478 N HN -0.226 nan 8.380 nan 0.000 0.576 479 P HA -0.015 nan 4.420 nan 0.000 0.230 479 P C 0.496 177.786 177.300 -0.016 0.000 1.158 479 P CA 1.092 64.183 63.100 -0.015 0.000 0.769 479 P CB 0.413 32.110 31.700 -0.006 0.000 0.807 480 Q N -1.042 118.750 119.800 -0.012 0.000 2.424 480 Q HA 0.069 4.404 4.340 -0.009 0.000 0.204 480 Q C 0.685 176.679 176.000 -0.010 0.000 0.933 480 Q CA -0.144 55.653 55.803 -0.009 0.000 0.929 480 Q CB -0.006 28.731 28.738 -0.002 0.000 1.037 480 Q HN 0.091 nan 8.270 nan 0.000 0.511 481 V N 1.825 121.729 119.914 -0.017 0.000 2.720 481 V HA 0.102 4.217 4.120 -0.009 0.000 0.307 481 V C 0.119 176.191 176.094 -0.036 0.000 1.071 481 V CA 0.565 62.857 62.300 -0.014 0.000 1.199 481 V CB 0.489 32.299 31.823 -0.021 0.000 0.900 481 V HN 0.376 nan 8.190 nan 0.000 0.494 482 R N 7.322 127.817 120.500 -0.009 0.000 2.248 482 R HA 0.603 4.938 4.340 -0.009 0.000 0.337 482 R C -0.697 175.558 176.300 -0.076 0.000 1.106 482 R CA -0.175 55.915 56.100 -0.016 0.000 0.959 482 R CB -0.231 30.087 30.300 0.030 0.000 1.075 482 R HN 0.800 nan 8.270 nan 0.000 0.480 483 L N 3.871 125.002 121.223 -0.153 0.000 2.334 483 L HA 0.513 4.847 4.340 -0.009 0.000 0.276 483 L C -2.072 174.713 176.870 -0.141 0.000 1.014 483 L CA -2.370 52.293 54.840 -0.294 0.000 0.815 483 L CB 2.517 44.368 42.059 -0.346 0.000 1.268 483 L HN 0.431 nan 8.230 nan 0.000 0.428 484 P HA 0.022 nan 4.420 nan 0.000 0.268 484 P C -0.230 177.048 177.300 -0.035 0.000 1.208 484 P CA -0.209 62.879 63.100 -0.020 0.000 0.777 484 P CB 0.568 32.289 31.700 0.036 0.000 0.875 485 Q N 1.924 121.717 119.800 -0.012 0.000 2.135 485 Q HA -0.154 4.181 4.340 -0.009 0.000 0.204 485 Q C 2.078 178.072 176.000 -0.010 0.000 0.981 485 Q CA 2.305 58.101 55.803 -0.012 0.000 0.856 485 Q CB -1.108 27.628 28.738 -0.003 0.000 0.902 485 Q HN 0.582 nan 8.270 nan 0.000 0.425 486 A N 0.174 122.993 122.820 -0.002 0.000 2.066 486 A HA 0.145 4.459 4.320 -0.009 0.000 0.218 486 A C 1.946 179.534 177.584 0.006 0.000 1.157 486 A CA 1.296 53.336 52.037 0.005 0.000 0.670 486 A CB -0.374 18.632 19.000 0.010 0.000 0.804 486 A HN 0.316 nan 8.150 nan 0.000 0.453 487 A N -1.446 121.364 122.820 -0.018 0.000 2.387 487 A HA 0.206 4.521 4.320 -0.009 0.000 0.234 487 A C 1.611 179.158 177.584 -0.061 0.000 1.253 487 A CA 0.107 52.122 52.037 -0.036 0.000 0.894 487 A CB -0.165 18.795 19.000 -0.066 0.000 0.963 487 A HN 0.338 nan 8.150 nan 0.000 0.508 488 Q N 0.080 119.854 119.800 -0.045 0.000 2.197 488 Q HA -0.272 4.063 4.340 -0.009 0.000 0.207 488 Q C 2.463 178.447 176.000 -0.028 0.000 0.984 488 Q CA 2.210 57.984 55.803 -0.047 0.000 0.869 488 Q CB -0.653 28.071 28.738 -0.023 0.000 0.906 488 Q HN 0.809 nan 8.270 nan 0.000 0.426 489 R N 0.858 121.364 120.500 0.009 0.000 2.152 489 R HA -0.090 4.245 4.340 -0.009 0.000 0.232 489 R C 2.171 178.468 176.300 -0.004 0.000 1.117 489 R CA 1.367 57.487 56.100 0.034 0.000 0.981 489 R CB -1.442 28.921 30.300 0.105 0.000 0.870 489 R HN 0.294 nan 8.270 nan 0.000 0.451 490 L N 0.208 121.410 121.223 -0.035 0.000 2.089 490 L HA 0.077 4.412 4.340 -0.009 0.000 0.213 490 L C 1.473 178.306 176.870 -0.062 0.000 1.079 490 L CA 1.264 56.069 54.840 -0.058 0.000 0.758 490 L CB -0.810 41.202 42.059 -0.079 0.000 0.891 490 L HN 0.529 nan 8.230 nan 0.000 0.433 491 A N -0.683 122.099 122.820 -0.064 0.000 2.425 491 A HA 0.638 4.952 4.320 -0.009 0.000 0.249 491 A C 0.021 177.585 177.584 -0.033 0.000 1.084 491 A CA 0.184 52.188 52.037 -0.054 0.000 0.781 491 A CB -0.055 18.912 19.000 -0.057 0.000 1.019 491 A HN 0.562 nan 8.150 nan 0.000 0.490 492 A N 1.730 124.532 122.820 -0.031 0.000 2.515 492 A HA 0.634 4.948 4.320 -0.009 0.000 0.298 492 A C -1.356 176.220 177.584 -0.013 0.000 1.059 492 A CA -0.519 51.506 52.037 -0.020 0.000 0.698 492 A CB 1.452 20.439 19.000 -0.023 0.000 1.289 492 A HN 0.715 nan 8.150 nan 0.000 0.404 493 D N 1.498 121.894 120.400 -0.007 0.000 2.441 493 D HA 0.527 5.161 4.640 -0.009 0.000 0.231 493 D C -1.254 175.048 176.300 0.003 0.000 1.073 493 D CA 0.139 54.141 54.000 0.003 0.000 0.850 493 D CB 1.309 42.111 40.800 0.003 0.000 1.062 493 D HN 0.194 nan 8.370 nan 0.000 0.524 494 V N 5.219 125.146 119.914 0.022 0.000 2.540 494 V HA 0.425 4.540 4.120 -0.009 0.000 0.302 494 V C -1.956 174.188 176.094 0.083 0.000 1.035 494 V CA -1.775 60.542 62.300 0.029 0.000 0.873 494 V CB 1.955 33.800 31.823 0.036 0.000 0.992 494 V HN 0.498 nan 8.190 nan 0.000 0.428 495 P HA 0.020 nan 4.420 nan 0.000 0.264 495 P C 0.851 178.312 177.300 0.268 0.000 1.179 495 P CA 0.143 63.350 63.100 0.178 0.000 0.763 495 P CB 0.619 32.453 31.700 0.223 0.000 0.806 496 E N 2.242 122.590 120.200 0.247 0.000 2.114 496 E HA -0.236 4.109 4.350 -0.009 0.000 0.199 496 E C 1.904 178.675 176.600 0.284 0.000 1.008 496 E CA 2.108 58.686 56.400 0.297 0.000 0.810 496 E CB -0.788 29.045 29.700 0.221 0.000 0.739 496 E HN 0.567 nan 8.360 nan 0.000 0.456 497 A N -0.476 122.476 122.820 0.220 0.000 2.121 497 A HA -0.135 4.180 4.320 -0.009 0.000 0.218 497 A C 1.550 179.088 177.584 -0.077 0.000 1.154 497 A CA 0.913 52.984 52.037 0.057 0.000 0.679 497 A CB -0.459 18.511 19.000 -0.050 0.000 0.795 497 A HN 0.262 nan 8.150 nan 0.000 0.458 498 Y N -0.751 119.596 120.300 0.077 0.000 2.458 498 Y HA 0.099 4.644 4.550 -0.009 0.000 0.254 498 Y C 2.094 177.971 175.900 -0.038 0.000 1.120 498 Y CA 0.214 58.334 58.100 0.033 0.000 1.282 498 Y CB 0.392 38.870 38.460 0.031 0.000 1.109 498 Y HN 0.086 nan 8.280 nan 0.000 0.526 499 K N 0.522 120.957 120.400 0.059 0.000 2.063 499 K HA -0.119 4.196 4.320 -0.009 0.000 0.208 499 K C 1.426 177.741 176.600 -0.475 0.000 1.048 499 K CA 1.243 57.449 56.287 -0.135 0.000 0.928 499 K CB -0.405 31.960 32.500 -0.224 0.000 0.713 499 K HN 0.384 nan 8.250 nan 0.000 0.442 500 L N 0.923 121.844 121.223 -0.504 0.000 2.592 500 L HA 0.003 4.338 4.340 -0.009 0.000 0.227 500 L C 1.768 178.278 176.870 -0.600 0.000 1.127 500 L CA -0.315 54.020 54.840 -0.841 0.000 0.884 500 L CB -0.103 41.392 42.059 -0.940 0.000 1.065 500 L HN -0.013 nan 8.230 nan 0.000 0.457 501 L N 0.051 121.124 121.223 -0.250 0.000 2.064 501 L HA -0.337 3.997 4.340 -0.009 0.000 0.216 501 L C 2.677 179.457 176.870 -0.149 0.000 1.077 501 L CA 2.267 57.053 54.840 -0.090 0.000 0.766 501 L CB -0.905 41.172 42.059 0.029 0.000 0.890 501 L HN 0.258 nan 8.230 nan 0.000 0.435 502 T N -1.401 113.009 114.554 -0.239 0.000 2.759 502 T HA -0.161 4.184 4.350 -0.009 0.000 0.269 502 T C 1.783 176.315 174.700 -0.279 0.000 1.042 502 T CA 1.466 63.442 62.100 -0.206 0.000 1.140 502 T CB -0.021 68.720 68.868 -0.212 0.000 0.864 502 T HN 0.117 nan 8.240 nan 0.000 0.455 503 I N -0.362 119.897 120.570 -0.518 0.000 2.296 503 I HA 0.104 4.269 4.170 -0.009 0.000 0.242 503 I C 2.174 177.922 176.117 -0.614 0.000 1.087 503 I CA 0.993 61.887 61.300 -0.677 0.000 1.393 503 I CB -1.650 35.741 38.000 -1.014 0.000 1.093 503 I HN 0.332 nan 8.210 nan 0.000 0.421 504 F N 0.639 120.288 119.950 -0.501 0.000 2.113 504 F HA -0.175 4.346 4.527 -0.010 0.000 0.297 504 F C 2.574 178.332 175.800 -0.070 0.000 1.103 504 F CA 0.872 58.663 58.000 -0.347 0.000 1.248 504 F CB -0.299 38.554 39.000 -0.244 0.000 0.999 504 F HN -0.165 nan 8.300 nan 0.000 0.475 505 V N -0.246 119.758 119.914 0.150 0.000 2.283 505 V HA -0.189 3.926 4.120 -0.009 0.000 0.239 505 V C 1.708 177.919 176.094 0.194 0.000 1.035 505 V CA 1.774 64.184 62.300 0.184 0.000 1.018 505 V CB -0.444 31.477 31.823 0.164 0.000 0.658 505 V HN 0.204 nan 8.190 nan 0.000 0.459 506 D N 0.057 120.538 120.400 0.136 0.000 2.149 506 D HA -0.077 4.558 4.640 -0.009 0.000 0.201 506 D C 2.057 178.473 176.300 0.194 0.000 0.972 506 D CA 1.151 55.258 54.000 0.178 0.000 0.835 506 D CB -0.066 40.813 40.800 0.132 0.000 0.966 506 D HN 0.339 nan 8.370 nan 0.000 0.476 507 V N 0.760 120.737 119.914 0.105 0.000 2.283 507 V HA -0.127 3.988 4.120 -0.009 0.000 0.239 507 V C 2.242 178.525 176.094 0.315 0.000 1.035 507 V CA 0.984 63.337 62.300 0.089 0.000 1.018 507 V CB -0.582 31.170 31.823 -0.119 0.000 0.658 507 V HN -0.037 nan 8.190 nan 0.000 0.459 508 F N 0.615 120.669 119.950 0.172 0.000 2.084 508 F HA -0.052 4.471 4.527 -0.008 0.000 0.296 508 F C 2.617 178.642 175.800 0.375 0.000 1.111 508 F CA 1.630 59.905 58.000 0.458 0.000 1.224 508 F CB -0.719 38.524 39.000 0.405 0.000 0.991 508 F HN 0.202 nan 8.300 nan 0.000 0.471 509 E N 0.079 120.546 120.200 0.445 0.000 2.190 509 E HA -0.010 4.335 4.350 -0.009 0.000 0.191 509 E C 2.399 179.134 176.600 0.225 0.000 0.978 509 E CA 0.877 57.438 56.400 0.270 0.000 0.839 509 E CB -0.271 29.581 29.700 0.253 0.000 0.787 509 E HN 0.352 nan 8.360 nan 0.000 0.473 510 G N -0.738 108.246 108.800 0.306 0.000 2.430 510 G HA2 -0.208 3.747 3.960 -0.009 0.000 0.216 510 G HA3 -0.208 3.747 3.960 -0.009 0.000 0.216 510 G C 1.187 176.339 174.900 0.420 0.000 1.146 510 G CA 0.844 46.151 45.100 0.346 0.000 0.793 510 G HN 0.341 nan 8.290 nan 0.000 0.537 511 Y N -1.653 118.807 120.300 0.267 0.000 3.012 511 Y HA 0.331 4.876 4.550 -0.008 0.000 0.236 511 Y C 2.117 178.220 175.900 0.338 0.000 1.017 511 Y CA -0.315 57.947 58.100 0.270 0.000 1.364 511 Y CB 0.074 38.642 38.460 0.181 0.000 1.491 511 Y HN 0.008 nan 8.280 nan 0.000 0.435 512 F N 1.728 121.896 119.950 0.363 0.000 2.161 512 F HA -0.154 4.368 4.527 -0.009 0.000 0.300 512 F C 2.572 178.299 175.800 -0.121 0.000 1.089 512 F CA 1.741 59.819 58.000 0.130 0.000 1.282 512 F CB -0.962 38.238 39.000 0.333 0.000 1.010 512 F HN 0.125 nan 8.300 nan 0.000 0.485 513 R N -0.492 120.073 120.500 0.107 0.000 2.105 513 R HA -0.173 4.162 4.340 -0.009 0.000 0.239 513 R C 2.149 178.063 176.300 -0.644 0.000 1.135 513 R CA 1.627 57.562 56.100 -0.274 0.000 0.967 513 R CB -0.302 29.751 30.300 -0.412 0.000 0.861 513 R HN 0.319 nan 8.270 nan 0.000 0.442 514 H N -0.399 118.475 119.070 -0.327 0.000 2.448 514 H HA -0.063 4.487 4.556 -0.010 0.000 0.292 514 H C 1.986 177.094 175.328 -0.367 0.000 1.035 514 H CA 0.944 56.776 56.048 -0.361 0.000 1.349 514 H CB 0.014 29.591 29.762 -0.309 0.000 1.425 514 H HN 0.179 nan 8.280 nan 0.000 0.539 515 L N 1.599 122.628 121.223 -0.323 0.000 2.046 515 L HA -0.157 4.177 4.340 -0.009 0.000 0.208 515 L C 2.608 179.211 176.870 -0.445 0.000 1.077 515 L CA 2.189 56.806 54.840 -0.371 0.000 0.747 515 L CB -0.861 41.010 42.059 -0.315 0.000 0.896 515 L HN 0.334 nan 8.230 nan 0.000 0.432 516 T N -3.307 110.911 114.554 -0.561 0.000 2.867 516 T HA -0.259 4.086 4.350 -0.009 0.000 0.268 516 T C 1.797 176.324 174.700 -0.288 0.000 1.057 516 T CA 1.346 63.123 62.100 -0.538 0.000 1.136 516 T CB -0.534 68.021 68.868 -0.522 0.000 0.874 516 T HN 0.573 nan 8.240 nan 0.000 0.466 517 Q N 0.490 120.152 119.800 -0.230 0.000 2.096 517 Q HA -0.113 4.222 4.340 -0.009 0.000 0.204 517 Q C 2.246 178.191 176.000 -0.091 0.000 0.982 517 Q CA 1.578 57.326 55.803 -0.093 0.000 0.850 517 Q CB -0.268 28.474 28.738 0.006 0.000 0.901 517 Q HN 0.506 nan 8.270 nan 0.000 0.422 518 I N 0.833 121.320 120.570 -0.138 0.000 2.226 518 I HA -0.281 3.884 4.170 -0.009 0.000 0.245 518 I C 2.380 178.407 176.117 -0.149 0.000 1.100 518 I CA 1.202 62.422 61.300 -0.134 0.000 1.374 518 I CB -1.058 36.848 38.000 -0.157 0.000 1.057 518 I HN 0.372 nan 8.210 nan 0.000 0.413 519 L N -0.103 120.998 121.223 -0.203 0.000 2.079 519 L HA -0.194 4.141 4.340 -0.009 0.000 0.210 519 L C 2.597 179.383 176.870 -0.141 0.000 1.081 519 L CA 0.862 55.583 54.840 -0.197 0.000 0.752 519 L CB -0.500 41.392 42.059 -0.277 0.000 0.896 519 L HN 0.046 nan 8.230 nan 0.000 0.433 520 V N -0.620 119.221 119.914 -0.121 0.000 2.446 520 V HA -0.175 3.940 4.120 -0.009 0.000 0.244 520 V C 2.258 178.330 176.094 -0.036 0.000 1.039 520 V CA 1.369 63.624 62.300 -0.075 0.000 1.045 520 V CB -0.166 31.621 31.823 -0.060 0.000 0.681 520 V HN 0.409 nan 8.190 nan 0.000 0.459 521 E N 0.362 120.546 120.200 -0.026 0.000 2.153 521 E HA -0.175 4.169 4.350 -0.009 0.000 0.194 521 E C 2.037 178.624 176.600 -0.021 0.000 0.988 521 E CA 1.785 58.186 56.400 0.001 0.000 0.811 521 E CB -0.134 29.566 29.700 0.001 0.000 0.746 521 E HN 0.763 nan 8.360 nan 0.000 0.466 522 T N -2.347 112.175 114.554 -0.053 0.000 3.086 522 T HA 0.104 4.449 4.350 -0.009 0.000 0.250 522 T C 0.357 175.020 174.700 -0.061 0.000 1.074 522 T CA -0.031 62.031 62.100 -0.064 0.000 0.988 522 T CB 0.054 68.866 68.868 -0.093 0.000 0.988 522 T HN 0.116 nan 8.240 nan 0.000 0.530 523 E N 0.135 120.302 120.200 -0.055 0.000 2.722 523 E HA -0.186 4.159 4.350 -0.009 0.000 0.265 523 E C 0.748 177.310 176.600 -0.063 0.000 1.081 523 E CA 0.409 56.779 56.400 -0.050 0.000 0.781 523 E CB -1.905 27.777 29.700 -0.031 0.000 1.372 523 E HN 0.546 nan 8.360 nan 0.000 0.423 524 L N -0.883 120.288 121.223 -0.086 0.000 2.156 524 L HA 0.115 4.450 4.340 -0.009 0.000 0.208 524 L C 1.234 178.057 176.870 -0.078 0.000 1.095 524 L CA 1.106 55.890 54.840 -0.093 0.000 0.770 524 L CB 0.177 42.159 42.059 -0.129 0.000 0.914 524 L HN 0.274 nan 8.230 nan 0.000 0.439 525 M N -0.993 118.553 119.600 -0.090 0.000 2.389 525 M HA 0.335 4.809 4.480 -0.009 0.000 0.291 525 M C -2.795 173.424 176.300 -0.134 0.000 1.128 525 M CA -1.440 53.804 55.300 -0.094 0.000 0.942 525 M CB 2.319 34.878 32.600 -0.069 0.000 1.783 525 M HN -0.342 nan 8.290 nan 0.000 0.501 526 P HA 0.118 nan 4.420 nan 0.000 0.272 526 P C -0.223 176.887 177.300 -0.316 0.000 1.223 526 P CA 0.089 63.014 63.100 -0.292 0.000 0.784 526 P CB 0.550 31.930 31.700 -0.533 0.000 0.923 527 E N 2.270 122.352 120.200 -0.198 0.000 2.058 527 E HA -0.303 4.042 4.350 -0.009 0.000 0.194 527 E C 1.601 178.263 176.600 0.103 0.000 0.997 527 E CA 1.341 57.720 56.400 -0.036 0.000 0.801 527 E CB -0.336 29.418 29.700 0.091 0.000 0.746 527 E HN 0.610 nan 8.360 nan 0.000 0.450 528 H N -0.257 118.950 119.070 0.228 0.000 2.387 528 H HA -0.129 4.422 4.556 -0.008 0.000 0.299 528 H C 1.397 176.865 175.328 0.233 0.000 1.099 528 H CA 1.409 57.641 56.048 0.308 0.000 1.315 528 H CB -0.532 29.375 29.762 0.242 0.000 1.380 528 H HN 0.207 nan 8.280 nan 0.000 0.513 529 D N 0.641 120.959 120.400 -0.135 0.000 2.178 529 D HA -0.108 4.526 4.640 -0.009 0.000 0.201 529 D C 2.023 178.260 176.300 -0.104 0.000 0.980 529 D CA 0.779 54.735 54.000 -0.073 0.000 0.842 529 D CB -0.608 40.107 40.800 -0.141 0.000 0.948 529 D HN 0.388 nan 8.370 nan 0.000 0.472 530 F N -0.628 119.153 119.950 -0.282 0.000 2.128 530 F HA -0.070 4.452 4.527 -0.008 0.000 0.295 530 F C 1.860 177.351 175.800 -0.514 0.000 1.100 530 F CA 1.137 58.867 58.000 -0.449 0.000 1.260 530 F CB -0.419 38.199 39.000 -0.636 0.000 1.009 530 F HN -0.063 nan 8.300 nan 0.000 0.476 531 W N 0.787 122.061 121.300 -0.044 0.000 2.363 531 W HA -0.122 4.534 4.660 -0.007 0.000 0.296 531 W C 2.768 178.987 176.519 -0.500 0.000 1.212 531 W CA 1.325 58.584 57.345 -0.142 0.000 1.260 531 W CB -0.481 29.108 29.460 0.215 0.000 1.131 531 W HN -0.083 nan 8.180 nan 0.000 0.530 532 R N 0.931 121.105 120.500 -0.542 0.000 2.096 532 R HA -0.180 4.154 4.340 -0.009 0.000 0.235 532 R C 2.166 178.120 176.300 -0.577 0.000 1.127 532 R CA 1.635 57.054 56.100 -1.134 0.000 0.968 532 R CB -0.724 29.175 30.300 -0.669 0.000 0.861 532 R HN 0.328 nan 8.270 nan 0.000 0.440 533 L N 0.519 121.478 121.223 -0.439 0.000 2.046 533 L HA -0.146 4.189 4.340 -0.009 0.000 0.208 533 L C 2.061 178.711 176.870 -0.367 0.000 1.077 533 L CA 1.268 55.890 54.840 -0.364 0.000 0.747 533 L CB -0.198 41.629 42.059 -0.388 0.000 0.896 533 L HN 0.032 nan 8.230 nan 0.000 0.432 534 V N 0.474 120.076 119.914 -0.520 0.000 2.261 534 V HA -0.286 3.829 4.120 -0.009 0.000 0.246 534 V C 2.912 178.964 176.094 -0.070 0.000 1.047 534 V CA 1.717 63.798 62.300 -0.363 0.000 1.015 534 V CB -1.071 30.449 31.823 -0.505 0.000 0.642 534 V HN 0.626 nan 8.190 nan 0.000 0.446 535 A N 0.464 123.281 122.820 -0.005 0.000 1.917 535 A HA -0.198 4.117 4.320 -0.009 0.000 0.219 535 A C 2.397 180.120 177.584 0.232 0.000 1.182 535 A CA 2.282 54.469 52.037 0.251 0.000 0.633 535 A CB -1.304 17.898 19.000 0.336 0.000 0.819 535 A HN 0.563 nan 8.150 nan 0.000 0.448 536 G N -0.913 107.900 108.800 0.022 0.000 2.402 536 G HA2 -0.197 3.758 3.960 -0.009 0.000 0.216 536 G HA3 -0.197 3.758 3.960 -0.009 0.000 0.216 536 G C 1.669 176.601 174.900 0.054 0.000 1.162 536 G CA 0.724 45.838 45.100 0.022 0.000 0.777 536 G HN 0.429 nan 8.290 nan 0.000 0.539 537 R N 0.282 120.796 120.500 0.024 0.000 2.081 537 R HA 0.036 4.370 4.340 -0.009 0.000 0.235 537 R C 2.563 178.936 176.300 0.122 0.000 1.131 537 R CA 0.772 56.905 56.100 0.055 0.000 0.960 537 R CB -0.816 29.486 30.300 0.004 0.000 0.856 537 R HN 0.454 nan 8.270 nan 0.000 0.436 538 I N 0.683 121.336 120.570 0.139 0.000 2.179 538 I HA -0.236 3.929 4.170 -0.009 0.000 0.242 538 I C 2.592 178.845 176.117 0.226 0.000 1.088 538 I CA 1.385 62.791 61.300 0.177 0.000 1.357 538 I CB -0.494 37.594 38.000 0.147 0.000 1.051 538 I HN 0.083 nan 8.210 nan 0.000 0.409 539 A N 0.772 123.749 122.820 0.261 0.000 1.902 539 A HA -0.156 4.158 4.320 -0.009 0.000 0.217 539 A C 2.547 180.175 177.584 0.073 0.000 1.181 539 A CA 1.845 53.974 52.037 0.153 0.000 0.623 539 A CB -0.878 18.184 19.000 0.104 0.000 0.818 539 A HN 0.430 nan 8.150 nan 0.000 0.443 540 A N -1.437 121.439 122.820 0.093 0.000 1.933 540 A HA -0.138 4.176 4.320 -0.009 0.000 0.218 540 A C 2.132 179.778 177.584 0.104 0.000 1.175 540 A CA 1.723 53.808 52.037 0.081 0.000 0.628 540 A CB -0.839 18.215 19.000 0.090 0.000 0.814 540 A HN 0.768 nan 8.150 nan 0.000 0.444 541 Y N 0.558 120.888 120.300 0.050 0.000 2.145 541 Y HA -0.269 4.276 4.550 -0.009 0.000 0.286 541 Y C 2.525 178.450 175.900 0.042 0.000 1.145 541 Y CA 2.417 60.555 58.100 0.063 0.000 1.148 541 Y CB -0.423 38.018 38.460 -0.033 0.000 0.981 541 Y HN 0.438 nan 8.280 nan 0.000 0.507 542 Q N -0.245 119.474 119.800 -0.134 0.000 2.124 542 Q HA -0.248 4.087 4.340 -0.009 0.000 0.202 542 Q C 2.256 178.159 176.000 -0.162 0.000 0.977 542 Q CA 1.831 57.373 55.803 -0.435 0.000 0.850 542 Q CB -0.218 28.075 28.738 -0.742 0.000 0.901 542 Q HN 0.652 nan 8.270 nan 0.000 0.429 543 Q N -0.095 119.647 119.800 -0.097 0.000 2.170 543 Q HA -0.118 4.217 4.340 -0.009 0.000 0.203 543 Q C 1.902 177.847 176.000 -0.092 0.000 0.976 543 Q CA 1.249 57.018 55.803 -0.058 0.000 0.858 543 Q CB -0.091 28.626 28.738 -0.036 0.000 0.907 543 Q HN 0.352 nan 8.270 nan 0.000 0.433 544 A N 0.150 122.881 122.820 -0.148 0.000 2.119 544 A HA -0.071 4.244 4.320 -0.009 0.000 0.216 544 A C 0.497 177.739 177.584 -0.570 0.000 1.152 544 A CA 0.539 52.403 52.037 -0.287 0.000 0.708 544 A CB 0.056 18.911 19.000 -0.243 0.000 0.805 544 A HN 0.327 nan 8.150 nan 0.000 0.460 545 H N -0.766 118.140 119.070 -0.274 0.000 2.386 545 H HA 0.168 4.718 4.556 -0.009 0.000 0.232 545 H C -2.097 173.204 175.328 -0.045 0.000 1.416 545 H CA -1.315 54.604 56.048 -0.216 0.000 1.285 545 H CB 0.573 30.084 29.762 -0.419 0.000 1.625 545 H HN 0.349 nan 8.280 nan 0.000 0.521 546 P HA -0.173 nan 4.420 nan 0.000 0.223 546 P C 1.725 179.028 177.300 0.005 0.000 1.151 546 P CA 0.845 63.983 63.100 0.064 0.000 0.787 546 P CB 0.359 32.063 31.700 0.006 0.000 0.788 547 Q N 0.780 120.556 119.800 -0.040 0.000 2.364 547 Q HA -0.119 4.215 4.340 -0.009 0.000 0.207 547 Q C 1.240 177.128 176.000 -0.186 0.000 0.970 547 Q CA 1.195 56.946 55.803 -0.087 0.000 0.888 547 Q CB -0.642 28.060 28.738 -0.061 0.000 0.951 547 Q HN 0.293 nan 8.270 nan 0.000 0.469 548 R N 0.679 120.981 120.500 -0.330 0.000 2.568 548 R HA 0.156 4.491 4.340 -0.009 0.000 0.288 548 R C 1.488 177.100 176.300 -1.146 0.000 1.077 548 R CA -0.245 55.456 56.100 -0.663 0.000 1.102 548 R CB -0.057 29.828 30.300 -0.692 0.000 1.278 548 R HN 0.114 nan 8.270 nan 0.000 0.560 549 L N 2.161 123.039 121.223 -0.576 0.000 2.079 549 L HA -0.242 4.092 4.340 -0.009 0.000 0.210 549 L C 1.656 178.387 176.870 -0.231 0.000 1.081 549 L CA 2.113 56.792 54.840 -0.269 0.000 0.752 549 L CB -0.373 41.668 42.059 -0.030 0.000 0.896 549 L HN 0.256 nan 8.230 nan 0.000 0.433 550 D N -0.722 119.546 120.400 -0.221 0.000 2.133 550 D HA -0.303 4.332 4.640 -0.009 0.000 0.192 550 D C 1.972 178.189 176.300 -0.138 0.000 1.001 550 D CA 1.897 55.811 54.000 -0.143 0.000 0.844 550 D CB -0.546 40.183 40.800 -0.119 0.000 0.944 550 D HN 0.401 nan 8.370 nan 0.000 0.447 551 K N -0.832 119.439 120.400 -0.216 0.000 2.167 551 K HA -0.022 4.292 4.320 -0.009 0.000 0.203 551 K C 2.374 179.063 176.600 0.149 0.000 1.052 551 K CA 0.462 56.744 56.287 -0.007 0.000 0.956 551 K CB -0.156 32.376 32.500 0.053 0.000 0.735 551 K HN 0.322 nan 8.250 nan 0.000 0.451 552 Y N 0.360 120.611 120.300 -0.082 0.000 2.181 552 Y HA -0.213 4.332 4.550 -0.008 0.000 0.288 552 Y C 2.373 178.334 175.900 0.101 0.000 1.146 552 Y CA 0.704 58.763 58.100 -0.069 0.000 1.164 552 Y CB -0.060 38.315 38.460 -0.142 0.000 0.982 552 Y HN 0.005 nan 8.280 nan 0.000 0.515 553 R N 0.030 120.635 120.500 0.174 0.000 2.073 553 R HA -0.097 4.238 4.340 -0.009 0.000 0.229 553 R C 2.359 178.691 176.300 0.053 0.000 1.120 553 R CA 1.033 57.200 56.100 0.112 0.000 0.967 553 R CB -0.293 30.036 30.300 0.049 0.000 0.862 553 R HN 0.267 nan 8.270 nan 0.000 0.436 554 R N 0.301 120.772 120.500 -0.049 0.000 2.073 554 R HA -0.102 4.233 4.340 -0.009 0.000 0.234 554 R C 0.034 176.129 176.300 -0.342 0.000 1.134 554 R CA 1.351 57.283 56.100 -0.280 0.000 0.952 554 R CB 0.104 30.101 30.300 -0.505 0.000 0.850 554 R HN 0.157 nan 8.270 nan 0.000 0.433 555 Y N 0.741 121.214 120.300 0.289 0.000 2.854 555 Y HA 0.212 4.757 4.550 -0.009 0.000 0.330 555 Y C -0.857 175.244 175.900 0.335 0.000 1.037 555 Y CA -1.224 57.062 58.100 0.309 0.000 1.263 555 Y CB 0.883 39.594 38.460 0.419 0.000 1.120 555 Y HN -0.041 nan 8.280 nan 0.000 0.532 556 D N 3.027 123.645 120.400 0.363 0.000 2.339 556 D HA 0.136 4.771 4.640 -0.009 0.000 0.241 556 D C 0.641 177.166 176.300 0.375 0.000 1.183 556 D CA 0.154 54.367 54.000 0.356 0.000 0.859 556 D CB 1.108 42.075 40.800 0.279 0.000 1.067 556 D HN 0.581 nan 8.370 nan 0.000 0.484 557 L N 2.993 124.393 121.223 0.295 0.000 2.465 557 L HA -0.009 4.325 4.340 -0.009 0.000 0.224 557 L C 0.991 177.896 176.870 0.057 0.000 1.145 557 L CA 0.465 55.362 54.840 0.096 0.000 0.834 557 L CB -0.087 41.877 42.059 -0.158 0.000 0.944 557 L HN 0.415 nan 8.230 nan 0.000 0.451 558 F N -0.284 119.838 119.950 0.287 0.000 2.639 558 F HA 0.324 4.845 4.527 -0.009 0.000 0.302 558 F C 1.458 177.346 175.800 0.148 0.000 1.097 558 F CA -0.671 57.462 58.000 0.222 0.000 1.294 558 F CB -0.318 38.788 39.000 0.176 0.000 1.027 558 F HN -0.125 nan 8.300 nan 0.000 0.550 559 A N 2.160 125.142 122.820 0.269 0.000 2.547 559 A HA 0.074 4.389 4.320 -0.009 0.000 0.233 559 A C -0.979 176.631 177.584 0.044 0.000 1.067 559 A CA -0.710 51.405 52.037 0.131 0.000 0.763 559 A CB -0.229 18.822 19.000 0.085 0.000 1.007 559 A HN 0.123 nan 8.150 nan 0.000 0.506 560 P HA -0.064 nan 4.420 nan 0.000 0.216 560 P C 0.029 177.285 177.300 -0.074 0.000 1.153 560 P CA 1.727 64.816 63.100 -0.019 0.000 0.848 560 P CB -0.207 31.484 31.700 -0.016 0.000 0.787 561 D N -0.757 119.575 120.400 -0.114 0.000 2.585 561 D HA 0.540 5.175 4.640 -0.009 0.000 0.254 561 D C -0.099 176.011 176.300 -0.317 0.000 1.067 561 D CA -1.071 52.826 54.000 -0.172 0.000 1.090 561 D CB 1.019 41.756 40.800 -0.105 0.000 1.408 561 D HN 0.037 nan 8.370 nan 0.000 0.554 562 M N -1.330 118.057 119.600 -0.355 0.000 2.569 562 M HA 0.497 4.971 4.480 -0.009 0.000 0.279 562 M C -1.048 175.103 176.300 -0.248 0.000 1.253 562 M CA -1.135 53.845 55.300 -0.533 0.000 0.867 562 M CB 1.865 33.822 32.600 -1.073 0.000 1.727 562 M HN 0.279 nan 8.290 nan 0.000 0.467 563 I N 1.832 122.286 120.570 -0.193 0.000 2.710 563 I HA 0.007 4.172 4.170 -0.009 0.000 0.286 563 I C -0.032 176.121 176.117 0.059 0.000 1.181 563 I CA 0.433 61.685 61.300 -0.081 0.000 1.430 563 I CB 0.196 38.089 38.000 -0.179 0.000 1.367 563 I HN 0.676 nan 8.210 nan 0.000 0.577 564 H N 5.747 124.810 119.070 -0.012 0.000 2.581 564 H HA 0.262 4.813 4.556 -0.009 0.000 0.308 564 H C -0.645 174.726 175.328 0.071 0.000 1.040 564 H CA -0.624 55.453 56.048 0.048 0.000 1.231 564 H CB 1.184 30.981 29.762 0.059 0.000 1.396 564 H HN 0.540 nan 8.280 nan 0.000 0.467 565 S N 4.598 120.452 115.700 0.257 0.000 2.475 565 S HA 0.189 4.654 4.470 -0.009 0.000 0.281 565 S C -0.237 174.403 174.600 0.068 0.000 1.198 565 S CA -0.752 57.521 58.200 0.122 0.000 1.063 565 S CB -0.101 63.201 63.200 0.170 0.000 0.972 565 S HN 0.697 nan 8.310 nan 0.000 0.486 566 C N 7.819 127.068 119.300 -0.085 0.000 2.158 566 C HA 0.302 4.756 4.460 -0.009 0.000 0.350 566 C C 2.029 177.038 174.990 0.031 0.000 1.064 566 C CA -0.734 58.245 59.018 -0.064 0.000 1.507 566 C CB -1.803 25.861 27.740 -0.126 0.000 1.934 566 C HN 0.904 nan 8.230 nan 0.000 0.479 567 L N 2.122 123.351 121.223 0.010 0.000 2.012 567 L HA -0.153 4.182 4.340 -0.009 0.000 0.210 567 L C 2.333 179.218 176.870 0.024 0.000 1.073 567 L CA 1.521 56.287 54.840 -0.122 0.000 0.748 567 L CB -0.452 41.206 42.059 -0.668 0.000 0.891 567 L HN 0.714 nan 8.230 nan 0.000 0.431 568 N N 0.354 119.078 118.700 0.040 0.000 2.106 568 N HA -0.157 4.578 4.740 -0.009 0.000 0.188 568 N C 1.942 177.558 175.510 0.177 0.000 1.029 568 N CA 1.173 54.361 53.050 0.230 0.000 0.848 568 N CB -0.180 38.501 38.487 0.322 0.000 1.007 568 N HN 0.332 nan 8.380 nan 0.000 0.423 569 R N 0.837 121.401 120.500 0.108 0.000 2.105 569 R HA -0.034 4.300 4.340 -0.009 0.000 0.239 569 R C 2.343 178.673 176.300 0.050 0.000 1.135 569 R CA 0.828 56.953 56.100 0.041 0.000 0.967 569 R CB -0.299 30.014 30.300 0.021 0.000 0.861 569 R HN 0.218 nan 8.270 nan 0.000 0.442 570 L N 0.178 121.459 121.223 0.096 0.000 2.056 570 L HA -0.183 4.152 4.340 -0.009 0.000 0.207 570 L C 2.794 179.745 176.870 0.136 0.000 1.078 570 L CA 1.282 56.191 54.840 0.115 0.000 0.749 570 L CB -0.430 41.718 42.059 0.147 0.000 0.901 570 L HN 0.273 nan 8.230 nan 0.000 0.433 571 Q N 0.422 120.356 119.800 0.223 0.000 2.124 571 Q HA -0.196 4.139 4.340 -0.009 0.000 0.202 571 Q C 2.334 178.377 176.000 0.071 0.000 0.977 571 Q CA 1.398 57.311 55.803 0.183 0.000 0.850 571 Q CB -0.009 28.916 28.738 0.311 0.000 0.901 571 Q HN 0.520 nan 8.270 nan 0.000 0.429 572 L N -0.067 121.155 121.223 -0.001 0.000 2.141 572 L HA -0.107 4.227 4.340 -0.009 0.000 0.209 572 L C 2.386 179.202 176.870 -0.089 0.000 1.094 572 L CA 0.890 55.638 54.840 -0.154 0.000 0.763 572 L CB -0.383 41.532 42.059 -0.239 0.000 0.908 572 L HN 0.240 nan 8.230 nan 0.000 0.437 573 A N 0.058 122.859 122.820 -0.031 0.000 2.072 573 A HA 0.011 4.326 4.320 -0.009 0.000 0.216 573 A C 1.516 179.100 177.584 0.000 0.000 1.156 573 A CA 0.851 52.878 52.037 -0.017 0.000 0.701 573 A CB -1.255 17.744 19.000 -0.001 0.000 0.816 573 A HN 0.475 nan 8.150 nan 0.000 0.458 592 P HA 0.242 nan 4.420 nan 0.000 0.270 592 P C -0.401 176.934 177.300 0.058 0.000 1.223 592 P CA -0.256 62.797 63.100 -0.078 0.000 0.785 592 P CB 0.178 31.781 31.700 -0.161 0.000 0.923 593 N N 0.270 118.984 118.700 0.024 0.000 2.407 593 N HA 0.062 4.796 4.740 -0.009 0.000 0.250 593 N C 0.005 175.545 175.510 0.050 0.000 1.236 593 N CA 0.223 53.287 53.050 0.023 0.000 0.879 593 N CB -0.113 38.349 38.487 -0.041 0.000 1.088 593 N HN 0.337 nan 8.380 nan 0.000 0.450 594 L N 3.218 124.449 121.223 0.015 0.000 2.375 594 L HA 0.405 4.740 4.340 -0.009 0.000 0.271 594 L C -1.907 174.918 176.870 -0.074 0.000 1.107 594 L CA -1.885 52.940 54.840 -0.024 0.000 0.806 594 L CB 1.034 43.032 42.059 -0.101 0.000 1.146 594 L HN 0.357 nan 8.230 nan 0.000 0.447 595 P HA -0.004 nan 4.420 nan 0.000 0.268 595 P C -0.981 176.237 177.300 -0.137 0.000 1.205 595 P CA -0.229 62.817 63.100 -0.090 0.000 0.771 595 P CB 0.352 32.010 31.700 -0.071 0.000 0.858 596 N N 4.462 123.074 118.700 -0.146 0.000 2.411 596 N HA 0.087 4.822 4.740 -0.009 0.000 0.259 596 N C -1.432 173.985 175.510 -0.156 0.000 1.103 596 N CA -2.252 50.713 53.050 -0.142 0.000 0.954 596 N CB 0.161 38.578 38.487 -0.117 0.000 1.085 596 N HN 0.211 nan 8.380 nan 0.000 0.485 597 P HA -0.102 nan 4.420 nan 0.000 0.225 597 P C 0.991 178.186 177.300 -0.175 0.000 1.148 597 P CA 1.106 63.860 63.100 -0.576 0.000 0.779 597 P CB -0.010 30.642 31.700 -1.748 0.000 0.780 598 I N -5.886 114.719 120.570 0.058 0.000 4.018 598 I HA 0.393 4.557 4.170 -0.009 0.000 0.337 598 I C 1.949 178.341 176.117 0.459 0.000 1.327 598 I CA -0.079 61.504 61.300 0.472 0.000 1.100 598 I CB -0.455 37.817 38.000 0.454 0.000 1.025 598 I HN -0.282 nan 8.210 nan 0.000 0.396 599 A N 2.254 125.198 122.820 0.206 0.000 1.903 599 A HA -0.313 4.002 4.320 -0.009 0.000 0.219 599 A C 2.307 179.927 177.584 0.061 0.000 1.191 599 A CA 2.345 54.484 52.037 0.170 0.000 0.638 599 A CB -1.516 17.509 19.000 0.040 0.000 0.823 599 A HN 0.874 nan 8.150 nan 0.000 0.451 600 C N -2.764 116.425 119.300 -0.186 0.000 2.503 600 C HA 0.297 4.752 4.460 -0.009 0.000 0.285 600 C C 1.174 175.860 174.990 -0.507 0.000 1.473 600 C CA -0.148 58.636 59.018 -0.391 0.000 1.708 600 C CB -2.344 25.060 27.740 -0.559 0.000 1.638 600 C HN 0.380 nan 8.230 nan 0.000 0.585 601 F N 0.368 120.416 119.950 0.163 0.000 2.698 601 F HA 0.439 4.961 4.527 -0.009 0.000 0.304 601 F C 1.660 177.383 175.800 -0.129 0.000 1.108 601 F CA -0.029 58.036 58.000 0.110 0.000 1.263 601 F CB -0.790 38.355 39.000 0.241 0.000 1.013 601 F HN 0.294 nan 8.300 nan 0.000 0.532 602 R N 0.000 120.455 120.500 -0.075 0.000 2.786 602 R HA 0.000 4.335 4.340 -0.009 0.000 0.208 602 R CA 0.000 55.860 56.100 -0.400 0.000 0.921 602 R CB 0.000 30.236 30.300 -0.107 0.000 0.687 602 R HN 0.000 nan 8.270 nan 0.000 0.535