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 1uvn_1_E DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.281 177.300 -0.032 0.000 1.155 1 P CA 0.000 63.077 63.100 -0.038 0.000 0.800 1 P CB 0.000 31.679 31.700 -0.035 0.000 0.726 2 R N 1.480 121.955 120.500 -0.041 0.000 2.834 2 R HA 0.310 4.641 4.340 -0.014 0.000 0.129 2 R C -0.346 175.927 176.300 -0.045 0.000 0.870 2 R CA 0.039 56.120 56.100 -0.033 0.000 1.989 2 R CB 0.655 30.942 30.300 -0.020 0.000 1.647 2 R HN 0.271 nan 8.270 nan 0.000 0.512 3 R N 1.630 122.092 120.500 -0.063 0.000 1.385 3 R HA -0.070 4.261 4.340 -0.014 0.000 0.414 3 R C -1.511 174.750 176.300 -0.066 0.000 1.295 3 R CA 0.783 56.833 56.100 -0.083 0.000 0.975 3 R CB -1.556 28.697 30.300 -0.079 0.000 3.046 3 R HN 0.514 nan 8.270 nan 0.000 0.499 4 A N 5.978 128.755 122.820 -0.073 0.000 2.322 4 A HA 0.718 5.030 4.320 -0.014 0.000 0.269 4 A C -2.051 175.507 177.584 -0.043 0.000 1.094 4 A CA -1.122 50.893 52.037 -0.037 0.000 0.807 4 A CB 0.295 19.284 19.000 -0.018 0.000 1.047 4 A HN 0.646 nan 8.150 nan 0.000 0.487 5 P HA 0.419 nan 4.420 nan 0.000 0.271 5 P C -0.651 176.583 177.300 -0.109 0.000 1.216 5 P CA 0.224 63.247 63.100 -0.128 0.000 0.771 5 P CB 1.063 32.761 31.700 -0.003 0.000 0.864 6 A N 2.838 125.476 122.820 -0.302 0.000 2.401 6 A HA 0.856 5.168 4.320 -0.014 0.000 0.310 6 A C -1.413 175.978 177.584 -0.322 0.000 1.075 6 A CA -0.444 51.579 52.037 -0.022 0.000 0.746 6 A CB 0.901 20.056 19.000 0.259 0.000 1.277 6 A HN 0.358 nan 8.150 nan 0.000 0.425 7 F N 0.540 120.580 119.950 0.150 0.000 2.581 7 F HA 0.571 5.092 4.527 -0.011 0.000 0.311 7 F C -2.626 173.262 175.800 0.146 0.000 1.113 7 F CA -2.208 55.869 58.000 0.128 0.000 0.935 7 F CB 2.227 41.304 39.000 0.128 0.000 1.232 7 F HN 0.266 nan 8.300 nan 0.000 0.445 8 P HA 0.137 nan 4.420 nan 0.000 0.277 8 P C 0.810 178.283 177.300 0.289 0.000 1.240 8 P CA -0.476 62.761 63.100 0.229 0.000 0.798 8 P CB 0.982 32.770 31.700 0.146 0.000 0.979 9 L N 2.545 123.956 121.223 0.314 0.000 2.089 9 L HA -0.267 4.065 4.340 -0.014 0.000 0.213 9 L C 1.870 178.890 176.870 0.251 0.000 1.079 9 L CA 2.259 57.315 54.840 0.360 0.000 0.758 9 L CB -1.753 40.521 42.059 0.357 0.000 0.891 9 L HN 0.333 nan 8.230 nan 0.000 0.433 10 S N -1.242 114.572 115.700 0.189 0.000 2.365 10 S HA -0.220 4.241 4.470 -0.014 0.000 0.225 10 S C 1.004 175.693 174.600 0.148 0.000 1.039 10 S CA 0.940 59.226 58.200 0.142 0.000 1.033 10 S CB -0.877 62.391 63.200 0.113 0.000 0.887 10 S HN 0.659 nan 8.310 nan 0.000 0.447 11 D N 1.116 121.624 120.400 0.180 0.000 2.571 11 D HA -0.045 4.586 4.640 -0.014 0.000 0.231 11 D C 1.195 177.568 176.300 0.123 0.000 1.133 11 D CA -0.029 54.077 54.000 0.177 0.000 0.862 11 D CB 0.498 41.468 40.800 0.283 0.000 1.179 11 D HN 0.110 nan 8.370 nan 0.000 0.474 12 I N 4.943 125.564 120.570 0.086 0.000 2.236 12 I HA -0.294 3.867 4.170 -0.014 0.000 0.249 12 I C 2.050 178.170 176.117 0.005 0.000 1.102 12 I CA 1.614 62.946 61.300 0.054 0.000 1.365 12 I CB -0.064 37.963 38.000 0.044 0.000 1.051 12 I HN 0.394 nan 8.210 nan 0.000 0.420 13 K N 0.482 120.832 120.400 -0.084 0.000 2.103 13 K HA -0.151 4.161 4.320 -0.014 0.000 0.207 13 K C 2.102 178.613 176.600 -0.147 0.000 1.048 13 K CA 1.535 57.680 56.287 -0.236 0.000 0.930 13 K CB -0.377 31.723 32.500 -0.668 0.000 0.716 13 K HN 0.547 nan 8.250 nan 0.000 0.444 14 A N 1.112 123.931 122.820 -0.002 0.000 1.898 14 A HA -0.119 4.192 4.320 -0.014 0.000 0.214 14 A C 2.103 179.799 177.584 0.187 0.000 1.183 14 A CA 0.774 52.903 52.037 0.154 0.000 0.622 14 A CB -0.203 19.008 19.000 0.353 0.000 0.824 14 A HN 0.142 nan 8.150 nan 0.000 0.444 15 Q N -0.441 119.470 119.800 0.184 0.000 2.077 15 Q HA -0.175 4.156 4.340 -0.014 0.000 0.206 15 Q C 2.054 178.148 176.000 0.156 0.000 0.989 15 Q CA 1.442 57.370 55.803 0.208 0.000 0.853 15 Q CB -0.535 28.286 28.738 0.138 0.000 0.907 15 Q HN 0.585 nan 8.270 nan 0.000 0.418 16 M N 0.096 119.741 119.600 0.076 0.000 2.426 16 M HA -0.134 4.337 4.480 -0.014 0.000 0.261 16 M C 2.013 178.352 176.300 0.064 0.000 1.068 16 M CA 0.986 56.336 55.300 0.084 0.000 1.066 16 M CB -0.778 31.874 32.600 0.087 0.000 1.399 16 M HN 0.175 nan 8.290 nan 0.000 0.449 17 L N -1.591 119.535 121.223 -0.163 0.000 2.313 17 L HA -0.007 4.325 4.340 -0.014 0.000 0.214 17 L C -0.075 176.411 176.870 -0.640 0.000 1.119 17 L CA 0.285 54.821 54.840 -0.506 0.000 0.809 17 L CB -0.120 41.345 42.059 -0.991 0.000 0.933 17 L HN 0.044 nan 8.230 nan 0.000 0.449 18 F N -0.252 119.722 119.950 0.040 0.000 2.493 18 F HA 0.590 5.108 4.527 -0.015 0.000 0.329 18 F C 0.619 176.442 175.800 0.039 0.000 1.126 18 F CA -1.188 56.843 58.000 0.051 0.000 0.937 18 F CB 0.719 39.684 39.000 -0.059 0.000 1.146 18 F HN -0.244 nan 8.300 nan 0.000 0.442 19 A N 1.652 124.603 122.820 0.218 0.000 2.429 19 A HA 0.105 4.416 4.320 -0.014 0.000 0.242 19 A C 0.594 178.277 177.584 0.165 0.000 1.088 19 A CA -0.378 51.765 52.037 0.177 0.000 0.784 19 A CB 0.069 19.243 19.000 0.289 0.000 1.038 19 A HN 0.792 nan 8.150 nan 0.000 0.501 20 N N 0.641 119.418 118.700 0.130 0.000 3.243 20 N HA 0.117 4.848 4.740 -0.014 0.000 0.310 20 N C -0.585 174.968 175.510 0.073 0.000 1.313 20 N CA 0.095 53.196 53.050 0.086 0.000 1.204 20 N CB -0.934 37.591 38.487 0.064 0.000 1.483 20 N HN 0.744 nan 8.380 nan 0.000 0.553 21 N N -1.091 117.657 118.700 0.079 0.000 2.774 21 N HA 0.310 5.041 4.740 -0.014 0.000 0.264 21 N C 0.396 175.921 175.510 0.026 0.000 1.415 21 N CA -0.802 52.280 53.050 0.053 0.000 0.815 21 N CB 0.572 39.102 38.487 0.071 0.000 1.514 21 N HN -0.274 nan 8.380 nan 0.000 0.523 22 I N 0.443 121.017 120.570 0.007 0.000 2.133 22 I HA -0.138 4.024 4.170 -0.014 0.000 0.238 22 I C 1.964 178.053 176.117 -0.047 0.000 1.074 22 I CA 1.336 62.623 61.300 -0.021 0.000 1.342 22 I CB -1.155 36.833 38.000 -0.020 0.000 1.053 22 I HN 0.634 nan 8.210 nan 0.000 0.404 23 K N 1.002 121.387 120.400 -0.025 0.000 2.052 23 K HA -0.262 4.050 4.320 -0.014 0.000 0.215 23 K C 2.133 178.630 176.600 -0.172 0.000 1.053 23 K CA 2.050 58.306 56.287 -0.052 0.000 0.934 23 K CB -0.604 31.916 32.500 0.033 0.000 0.717 23 K HN 0.355 nan 8.250 nan 0.000 0.450 24 A N 1.923 124.701 122.820 -0.071 0.000 1.849 24 A HA -0.260 4.052 4.320 -0.014 0.000 0.217 24 A C 2.252 179.629 177.584 -0.346 0.000 1.202 24 A CA 1.802 53.741 52.037 -0.162 0.000 0.629 24 A CB -0.650 18.474 19.000 0.206 0.000 0.834 24 A HN 0.295 nan 8.150 nan 0.000 0.447 25 Q N -0.503 119.189 119.800 -0.181 0.000 2.062 25 Q HA -0.288 4.044 4.340 -0.014 0.000 0.209 25 Q C 2.197 178.012 176.000 -0.308 0.000 0.996 25 Q CA 2.277 57.943 55.803 -0.228 0.000 0.859 25 Q CB -0.672 28.002 28.738 -0.107 0.000 0.920 25 Q HN 0.844 nan 8.270 nan 0.000 0.415 26 Q N -0.493 119.165 119.800 -0.237 0.000 2.135 26 Q HA -0.117 4.215 4.340 -0.014 0.000 0.204 26 Q C 1.987 177.834 176.000 -0.255 0.000 0.981 26 Q CA 1.412 57.099 55.803 -0.193 0.000 0.856 26 Q CB -0.159 28.499 28.738 -0.133 0.000 0.902 26 Q HN 0.428 nan 8.270 nan 0.000 0.425 27 A N 0.644 123.198 122.820 -0.443 0.000 1.898 27 A HA -0.201 4.110 4.320 -0.014 0.000 0.216 27 A C 2.205 179.540 177.584 -0.414 0.000 1.181 27 A CA 1.706 53.443 52.037 -0.501 0.000 0.620 27 A CB -0.711 17.575 19.000 -1.191 0.000 0.819 27 A HN 0.458 nan 8.150 nan 0.000 0.442 28 S N 0.167 115.343 115.700 -0.872 0.000 2.368 28 S HA -0.187 4.275 4.470 -0.014 0.000 0.225 28 S C 1.777 176.167 174.600 -0.350 0.000 1.030 28 S CA 1.661 59.141 58.200 -1.201 0.000 0.999 28 S CB -0.348 61.587 63.200 -2.109 0.000 0.844 28 S HN 0.609 nan 8.310 nan 0.000 0.459 29 K N 0.586 120.867 120.400 -0.198 0.000 2.314 29 K HA 0.194 4.506 4.320 -0.014 0.000 0.198 29 K C 1.004 177.732 176.600 0.215 0.000 1.045 29 K CA -0.198 56.142 56.287 0.088 0.000 0.988 29 K CB -0.069 32.440 32.500 0.014 0.000 0.783 29 K HN 0.309 nan 8.250 nan 0.000 0.484 30 R N 2.365 122.906 120.500 0.068 0.000 2.505 30 R HA -0.092 4.240 4.340 -0.014 0.000 0.274 30 R C -0.278 176.156 176.300 0.224 0.000 0.955 30 R CA 0.417 56.577 56.100 0.100 0.000 1.109 30 R CB 0.264 30.599 30.300 0.057 0.000 0.890 30 R HN 0.162 nan 8.270 nan 0.000 0.415 31 S N 3.832 119.649 115.700 0.196 0.000 2.747 31 S HA 0.355 4.816 4.470 -0.014 0.000 0.300 31 S C -0.210 174.509 174.600 0.199 0.000 1.121 31 S CA -1.005 57.347 58.200 0.253 0.000 0.995 31 S CB 0.783 64.086 63.200 0.172 0.000 1.113 31 S HN 0.500 nan 8.310 nan 0.000 0.547 32 F N 1.476 121.492 119.950 0.110 0.000 2.628 32 F HA 0.377 4.896 4.527 -0.014 0.000 0.362 32 F C 0.302 176.134 175.800 0.054 0.000 1.148 32 F CA 0.826 58.866 58.000 0.067 0.000 1.352 32 F CB 0.121 39.155 39.000 0.056 0.000 1.081 32 F HN 0.661 nan 8.300 nan 0.000 0.605 33 K N 4.285 124.171 120.400 -0.857 0.000 2.557 33 K HA 0.305 4.617 4.320 -0.014 0.000 0.261 33 K C -1.495 174.678 176.600 -0.712 0.000 0.932 33 K CA -0.901 55.071 56.287 -0.525 0.000 0.829 33 K CB 2.284 34.638 32.500 -0.244 0.000 1.358 33 K HN 0.738 nan 8.250 nan 0.000 0.430 34 E N 0.772 120.714 120.200 -0.430 0.000 2.458 34 E HA 0.838 5.180 4.350 -0.014 0.000 0.278 34 E C -0.709 175.561 176.600 -0.549 0.000 1.004 34 E CA -1.407 54.724 56.400 -0.448 0.000 0.823 34 E CB 2.345 31.929 29.700 -0.193 0.000 1.396 34 E HN 0.632 nan 8.360 nan 0.000 0.463 35 G N -0.533 107.645 108.800 -1.038 0.000 2.337 35 G HA2 0.437 4.389 3.960 -0.014 0.000 0.310 35 G HA3 0.437 4.389 3.960 -0.014 0.000 0.310 35 G C -0.702 173.651 174.900 -0.911 0.000 1.534 35 G CA -0.469 44.025 45.100 -1.010 0.000 0.982 35 G HN 0.814 nan 8.290 nan 0.000 0.672 36 A N -0.104 122.457 122.820 -0.432 0.000 2.577 36 A HA 0.516 4.828 4.320 -0.014 0.000 0.233 36 A C 0.899 178.412 177.584 -0.120 0.000 1.076 36 A CA 1.078 53.066 52.037 -0.080 0.000 0.767 36 A CB -0.182 18.879 19.000 0.102 0.000 1.017 36 A HN 2.102 nan 8.150 nan 0.000 0.511 37 I N -2.433 118.119 120.570 -0.031 0.000 2.910 37 I HA 0.635 4.797 4.170 -0.014 0.000 0.310 37 I C -0.045 176.070 176.117 -0.003 0.000 1.043 37 I CA -0.804 60.473 61.300 -0.037 0.000 1.053 37 I CB 2.056 40.039 38.000 -0.030 0.000 1.242 37 I HN 0.660 nan 8.210 nan 0.000 0.452 38 E N 2.065 122.254 120.200 -0.019 0.000 1.924 38 E HA 0.190 4.532 4.350 -0.014 0.000 0.261 38 E C 0.294 176.863 176.600 -0.051 0.000 1.088 38 E CA -0.181 56.208 56.400 -0.017 0.000 0.909 38 E CB 0.563 30.255 29.700 -0.014 0.000 1.112 38 E HN 0.800 nan 8.360 nan 0.000 0.425 39 T N 3.093 117.611 114.554 -0.060 0.000 2.653 39 T HA -0.198 4.143 4.350 -0.014 0.000 0.268 39 T C -0.112 174.336 174.700 -0.420 0.000 1.035 39 T CA 1.628 63.632 62.100 -0.160 0.000 1.154 39 T CB -0.110 68.706 68.868 -0.086 0.000 0.862 39 T HN 0.352 nan 8.240 nan 0.000 0.441 40 Y N -0.312 120.003 120.300 0.026 0.000 2.581 40 Y HA 0.408 4.950 4.550 -0.014 0.000 0.345 40 Y C -0.064 175.856 175.900 0.033 0.000 1.036 40 Y CA -1.905 56.227 58.100 0.052 0.000 1.042 40 Y CB 1.259 39.807 38.460 0.147 0.000 1.289 40 Y HN -0.043 nan 8.280 nan 0.000 0.471 41 E N 0.844 121.151 120.200 0.177 0.000 2.585 41 E HA 0.267 4.609 4.350 -0.014 0.000 0.252 41 E C 0.932 177.595 176.600 0.105 0.000 0.981 41 E CA 1.534 57.987 56.400 0.089 0.000 0.943 41 E CB -0.125 29.600 29.700 0.042 0.000 0.923 41 E HN 0.879 nan 8.360 nan 0.000 0.486 42 G N 3.678 112.520 108.800 0.070 0.000 2.199 42 G HA2 -0.247 3.705 3.960 -0.014 0.000 0.254 42 G HA3 -0.247 3.705 3.960 -0.014 0.000 0.254 42 G C -0.160 174.783 174.900 0.072 0.000 0.982 42 G CA 0.177 45.318 45.100 0.068 0.000 0.632 42 G HN 0.514 nan 8.290 nan 0.000 0.529 43 L N 1.000 122.269 121.223 0.078 0.000 2.362 43 L HA 0.751 5.083 4.340 -0.014 0.000 0.275 43 L C -0.814 176.053 176.870 -0.004 0.000 0.998 43 L CA -0.912 53.949 54.840 0.034 0.000 0.820 43 L CB 1.364 43.433 42.059 0.017 0.000 1.270 43 L HN -0.019 nan 8.230 nan 0.000 0.415 44 L N 3.232 124.463 121.223 0.014 0.000 2.307 44 L HA 0.304 4.635 4.340 -0.014 0.000 0.282 44 L C 1.611 178.546 176.870 0.108 0.000 1.051 44 L CA 0.194 55.063 54.840 0.047 0.000 0.804 44 L CB 1.713 43.812 42.059 0.067 0.000 1.197 44 L HN 0.779 nan 8.230 nan 0.000 0.431 45 S N 1.435 117.237 115.700 0.171 0.000 2.488 45 S HA -0.113 4.349 4.470 -0.014 0.000 0.246 45 S C 0.993 175.845 174.600 0.420 0.000 0.992 45 S CA 1.119 59.547 58.200 0.379 0.000 0.963 45 S CB -0.382 63.010 63.200 0.320 0.000 0.754 45 S HN 0.473 nan 8.310 nan 0.000 0.519 46 V N 0.111 120.189 119.914 0.273 0.000 3.528 46 V HA 0.214 4.326 4.120 -0.014 0.000 0.294 46 V C 0.660 176.824 176.094 0.116 0.000 1.404 46 V CA -0.341 62.064 62.300 0.174 0.000 1.065 46 V CB -0.624 31.290 31.823 0.152 0.000 0.904 46 V HN 0.403 nan 8.190 nan 0.000 0.435 47 D N 2.164 122.662 120.400 0.163 0.000 2.533 47 D HA 0.011 4.643 4.640 -0.014 0.000 0.236 47 D C -1.488 174.845 176.300 0.056 0.000 1.137 47 D CA -0.960 53.099 54.000 0.100 0.000 0.867 47 D CB 2.138 43.014 40.800 0.126 0.000 1.170 47 D HN 0.066 nan 8.370 nan 0.000 0.474 48 P HA -0.155 nan 4.420 nan 0.000 0.214 48 P C 1.276 178.469 177.300 -0.178 0.000 1.163 48 P CA 1.472 64.497 63.100 -0.125 0.000 0.889 48 P CB 0.176 31.798 31.700 -0.131 0.000 0.790 49 R N -1.889 118.449 120.500 -0.271 0.000 2.113 49 R HA -0.205 4.127 4.340 -0.014 0.000 0.244 49 R C 2.240 178.268 176.300 -0.453 0.000 1.142 49 R CA 1.665 57.412 56.100 -0.588 0.000 0.953 49 R CB -1.285 28.386 30.300 -1.049 0.000 0.860 49 R HN 0.175 nan 8.270 nan 0.000 0.438 50 F N 0.876 120.684 119.950 -0.237 0.000 2.113 50 F HA -0.073 4.446 4.527 -0.014 0.000 0.297 50 F C 1.826 177.686 175.800 0.100 0.000 1.103 50 F CA 1.302 59.370 58.000 0.115 0.000 1.248 50 F CB -0.312 38.843 39.000 0.257 0.000 0.999 50 F HN -0.083 nan 8.300 nan 0.000 0.475 51 L N -0.883 120.301 121.223 -0.065 0.000 2.046 51 L HA -0.246 4.085 4.340 -0.014 0.000 0.208 51 L C 2.727 179.455 176.870 -0.237 0.000 1.077 51 L CA 1.646 56.305 54.840 -0.302 0.000 0.747 51 L CB -1.176 40.577 42.059 -0.510 0.000 0.896 51 L HN 0.246 nan 8.230 nan 0.000 0.432 52 S N 0.230 115.817 115.700 -0.188 0.000 2.353 52 S HA -0.265 4.197 4.470 -0.014 0.000 0.222 52 S C 2.026 176.579 174.600 -0.079 0.000 1.035 52 S CA 1.615 59.734 58.200 -0.135 0.000 1.025 52 S CB -0.432 62.667 63.200 -0.169 0.000 0.902 52 S HN 0.420 nan 8.310 nan 0.000 0.440 53 F N 2.021 121.832 119.950 -0.233 0.000 2.095 53 F HA -0.041 4.478 4.527 -0.014 0.000 0.298 53 F C 2.196 177.878 175.800 -0.196 0.000 1.104 53 F CA 2.099 59.982 58.000 -0.196 0.000 1.232 53 F CB -0.666 38.245 39.000 -0.148 0.000 0.987 53 F HN 0.161 nan 8.300 nan 0.000 0.475 54 K N 0.129 120.237 120.400 -0.487 0.000 2.063 54 K HA -0.274 4.038 4.320 -0.014 0.000 0.208 54 K C 2.018 178.471 176.600 -0.245 0.000 1.048 54 K CA 1.733 57.707 56.287 -0.522 0.000 0.928 54 K CB -0.476 31.869 32.500 -0.258 0.000 0.713 54 K HN 0.420 nan 8.250 nan 0.000 0.442 55 N N 0.905 119.601 118.700 -0.007 0.000 2.043 55 N HA -0.236 4.495 4.740 -0.014 0.000 0.193 55 N C 1.774 177.269 175.510 -0.025 0.000 1.037 55 N CA 1.833 54.914 53.050 0.052 0.000 0.851 55 N CB -0.004 38.571 38.487 0.147 0.000 1.027 55 N HN 0.208 nan 8.380 nan 0.000 0.422 56 E N -0.508 119.650 120.200 -0.071 0.000 2.017 56 E HA -0.213 4.129 4.350 -0.014 0.000 0.193 56 E C 1.978 178.527 176.600 -0.086 0.000 0.997 56 E CA 1.202 57.573 56.400 -0.047 0.000 0.804 56 E CB -0.296 29.372 29.700 -0.053 0.000 0.757 56 E HN 0.363 nan 8.360 nan 0.000 0.448 57 L N 1.293 122.344 121.223 -0.286 0.000 2.013 57 L HA -0.241 4.091 4.340 -0.014 0.000 0.212 57 L C 2.553 179.318 176.870 -0.174 0.000 1.073 57 L CA 2.711 57.360 54.840 -0.319 0.000 0.753 57 L CB -1.021 40.584 42.059 -0.757 0.000 0.890 57 L HN 0.288 nan 8.230 nan 0.000 0.432 58 S N -0.896 114.717 115.700 -0.146 0.000 2.382 58 S HA -0.227 4.234 4.470 -0.014 0.000 0.228 58 S C 2.113 176.792 174.600 0.131 0.000 1.027 58 S CA 1.193 59.399 58.200 0.011 0.000 0.991 58 S CB -0.528 62.727 63.200 0.091 0.000 0.823 58 S HN 0.558 nan 8.310 nan 0.000 0.469 59 R N -0.386 120.248 120.500 0.223 0.000 2.061 59 R HA 0.027 4.358 4.340 -0.014 0.000 0.230 59 R C 2.348 178.765 176.300 0.194 0.000 1.140 59 R CA 1.520 57.819 56.100 0.332 0.000 0.940 59 R CB -0.893 29.598 30.300 0.318 0.000 0.839 59 R HN 0.516 nan 8.270 nan 0.000 0.429 60 Y N 1.828 122.134 120.300 0.010 0.000 2.102 60 Y HA -0.294 4.247 4.550 -0.014 0.000 0.280 60 Y C 1.887 177.755 175.900 -0.054 0.000 1.178 60 Y CA 1.723 59.773 58.100 -0.084 0.000 1.146 60 Y CB -0.279 38.071 38.460 -0.183 0.000 0.968 60 Y HN -0.012 nan 8.280 nan 0.000 0.504 61 L N -1.386 119.776 121.223 -0.101 0.000 2.005 61 L HA -0.230 4.102 4.340 -0.014 0.000 0.207 61 L C 2.382 179.312 176.870 0.099 0.000 1.072 61 L CA 1.836 56.519 54.840 -0.261 0.000 0.744 61 L CB -1.161 40.251 42.059 -1.077 0.000 0.895 61 L HN 0.153 nan 8.230 nan 0.000 0.433 62 T N -0.787 113.861 114.554 0.157 0.000 2.685 62 T HA -0.274 4.067 4.350 -0.014 0.000 0.268 62 T C 1.443 176.204 174.700 0.101 0.000 1.034 62 T CA 2.059 64.225 62.100 0.109 0.000 1.149 62 T CB -0.297 68.296 68.868 -0.458 0.000 0.860 62 T HN 0.371 nan 8.240 nan 0.000 0.449 63 D N 0.159 120.620 120.400 0.101 0.000 2.075 63 D HA -0.107 4.525 4.640 -0.014 0.000 0.196 63 D C 1.902 178.243 176.300 0.067 0.000 0.985 63 D CA 1.185 55.253 54.000 0.113 0.000 0.834 63 D CB -0.187 40.724 40.800 0.185 0.000 0.987 63 D HN 0.402 nan 8.370 nan 0.000 0.452 64 H N -1.790 117.131 119.070 -0.248 0.000 2.524 64 H HA 0.164 4.712 4.556 -0.014 0.000 0.282 64 H C -0.119 174.840 175.328 -0.615 0.000 1.016 64 H CA 0.614 56.364 56.048 -0.497 0.000 1.270 64 H CB -0.052 29.199 29.762 -0.852 0.000 1.394 64 H HN 0.153 nan 8.280 nan 0.000 0.568 65 F N -0.114 119.874 119.950 0.063 0.000 2.710 65 F HA 0.331 4.849 4.527 -0.014 0.000 0.345 65 F C -2.549 173.331 175.800 0.133 0.000 1.362 65 F CA -2.331 55.737 58.000 0.114 0.000 1.175 65 F CB 1.310 40.422 39.000 0.187 0.000 1.561 65 F HN -0.168 nan 8.300 nan 0.000 0.593 66 P HA 0.169 nan 4.420 nan 0.000 0.272 66 P C -0.007 177.323 177.300 0.049 0.000 1.223 66 P CA -0.169 62.983 63.100 0.086 0.000 0.784 66 P CB 0.824 32.550 31.700 0.043 0.000 0.923 67 A N 2.804 125.623 122.820 -0.003 0.000 2.555 67 A HA 0.002 4.314 4.320 -0.014 0.000 0.233 67 A C 0.151 177.688 177.584 -0.079 0.000 1.060 67 A CA 0.329 52.338 52.037 -0.047 0.000 0.759 67 A CB -0.649 18.328 19.000 -0.038 0.000 0.995 67 A HN 0.633 nan 8.150 nan 0.000 0.506 68 N N 0.770 119.337 118.700 -0.221 0.000 2.976 68 N HA 0.411 5.143 4.740 -0.014 0.000 0.255 68 N C -1.530 173.668 175.510 -0.520 0.000 1.312 68 N CA -0.298 52.393 53.050 -0.599 0.000 0.897 68 N CB 1.327 39.174 38.487 -1.066 0.000 1.184 68 N HN 0.334 nan 8.380 nan 0.000 0.497 69 V N 1.627 121.530 119.914 -0.019 0.000 2.444 69 V HA 0.163 4.274 4.120 -0.014 0.000 0.294 69 V C -0.078 176.178 176.094 0.269 0.000 1.022 69 V CA -0.968 61.403 62.300 0.118 0.000 0.850 69 V CB 1.552 33.332 31.823 -0.072 0.000 0.992 69 V HN 0.508 nan 8.190 nan 0.000 0.426 70 D N 2.672 123.278 120.400 0.344 0.000 2.414 70 D HA 0.013 4.644 4.640 -0.014 0.000 0.251 70 D C 1.022 177.395 176.300 0.121 0.000 1.252 70 D CA -0.503 53.615 54.000 0.197 0.000 0.999 70 D CB 0.704 41.557 40.800 0.088 0.000 1.093 70 D HN 0.622 nan 8.370 nan 0.000 0.515 71 E N -1.450 118.751 120.200 0.002 0.000 2.455 71 E HA -0.218 4.123 4.350 -0.014 0.000 0.202 71 E C 0.166 176.684 176.600 -0.136 0.000 1.045 71 E CA 0.766 57.112 56.400 -0.090 0.000 0.872 71 E CB -0.062 29.451 29.700 -0.312 0.000 0.792 71 E HN 0.454 nan 8.360 nan 0.000 0.542 72 Y N -0.883 119.438 120.300 0.036 0.000 2.612 72 Y HA 0.305 4.846 4.550 -0.014 0.000 0.250 72 Y C 0.926 177.000 175.900 0.290 0.000 1.175 72 Y CA 0.001 58.107 58.100 0.010 0.000 1.205 72 Y CB 1.083 39.486 38.460 -0.095 0.000 1.201 72 Y HN 0.063 nan 8.280 nan 0.000 0.532 73 G N 1.751 110.798 108.800 0.410 0.000 2.314 73 G HA2 -0.311 3.641 3.960 -0.014 0.000 0.292 73 G HA3 -0.311 3.641 3.960 -0.014 0.000 0.292 73 G C 0.039 175.136 174.900 0.329 0.000 1.059 73 G CA -0.100 45.174 45.100 0.289 0.000 0.982 73 G HN 0.315 nan 8.290 nan 0.000 0.505 74 R N -0.928 119.767 120.500 0.326 0.000 2.534 74 R HA 0.619 4.950 4.340 -0.014 0.000 0.301 74 R C -0.009 176.540 176.300 0.416 0.000 0.961 74 R CA -0.678 55.698 56.100 0.460 0.000 0.871 74 R CB 2.632 33.192 30.300 0.433 0.000 1.170 74 R HN 0.482 nan 8.270 nan 0.000 0.446 75 V N 4.492 124.618 119.914 0.353 0.000 2.539 75 V HA 0.647 4.758 4.120 -0.014 0.000 0.292 75 V C -1.128 175.143 176.094 0.295 0.000 1.045 75 V CA -0.077 62.352 62.300 0.214 0.000 0.945 75 V CB 0.891 32.755 31.823 0.068 0.000 0.993 75 V HN 0.810 nan 8.190 nan 0.000 0.464 76 Y N 3.570 123.955 120.300 0.142 0.000 2.974 76 Y HA 0.948 5.489 4.550 -0.014 0.000 0.310 76 Y C 0.801 176.765 175.900 0.107 0.000 1.526 76 Y CA -0.430 57.749 58.100 0.132 0.000 1.087 76 Y CB 0.384 38.928 38.460 0.140 0.000 1.404 76 Y HN 1.436 nan 8.280 nan 0.000 0.491 77 G N 1.656 110.540 108.800 0.140 0.000 2.611 77 G HA2 -0.454 3.498 3.960 -0.014 0.000 0.301 77 G HA3 -0.454 3.498 3.960 -0.014 0.000 0.301 77 G C 0.485 175.395 174.900 0.016 0.000 1.233 77 G CA 0.980 46.102 45.100 0.037 0.000 0.993 77 G HN 1.590 nan 8.290 nan 0.000 0.553 78 N N 1.987 120.691 118.700 0.007 0.000 2.519 78 N HA 0.281 5.012 4.740 -0.014 0.000 0.186 78 N C 1.978 177.534 175.510 0.077 0.000 1.062 78 N CA 2.122 55.228 53.050 0.095 0.000 0.910 78 N CB -0.499 38.101 38.487 0.189 0.000 0.958 78 N HN 2.448 nan 8.380 nan 0.000 0.445 79 G N -1.524 107.280 108.800 0.007 0.000 2.179 79 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.260 79 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.260 79 G C -0.245 174.664 174.900 0.016 0.000 0.977 79 G CA 0.322 45.438 45.100 0.026 0.000 0.641 79 G HN 0.364 nan 8.290 nan 0.000 0.533 80 V N 1.905 121.822 119.914 0.006 0.000 2.455 80 V HA 0.376 4.488 4.120 -0.014 0.000 0.273 80 V C 1.590 177.626 176.094 -0.096 0.000 1.045 80 V CA 0.643 62.917 62.300 -0.042 0.000 0.976 80 V CB 1.186 33.026 31.823 0.028 0.000 0.993 80 V HN 0.593 nan 8.190 nan 0.000 0.475 81 R N 2.613 123.043 120.500 -0.116 0.000 2.362 81 R HA 0.336 4.668 4.340 -0.014 0.000 0.227 81 R C 0.415 176.662 176.300 -0.087 0.000 0.905 81 R CA 0.152 56.207 56.100 -0.075 0.000 1.067 81 R CB 0.730 31.016 30.300 -0.024 0.000 1.078 81 R HN 0.622 nan 8.270 nan 0.000 0.516 82 T N 0.414 114.848 114.554 -0.201 0.000 2.774 82 T HA 0.102 4.444 4.350 -0.014 0.000 0.325 82 T C -1.684 172.770 174.700 -0.409 0.000 1.753 82 T CA -0.822 61.159 62.100 -0.199 0.000 1.024 82 T CB 0.815 69.610 68.868 -0.122 0.000 1.628 82 T HN 0.450 nan 8.240 nan 0.000 0.497 83 N N 0.751 119.276 118.700 -0.291 0.000 2.307 83 N HA 0.190 4.921 4.740 -0.014 0.000 0.230 83 N C -0.069 175.145 175.510 -0.494 0.000 1.297 83 N CA 0.103 52.911 53.050 -0.402 0.000 0.884 83 N CB -0.116 38.113 38.487 -0.429 0.000 1.115 83 N HN 0.507 nan 8.380 nan 0.000 0.436 84 F N -0.934 118.804 119.950 -0.353 0.000 2.730 84 F HA 0.354 4.873 4.527 -0.014 0.000 0.295 84 F C 0.316 176.044 175.800 -0.120 0.000 1.143 84 F CA -0.524 57.365 58.000 -0.185 0.000 1.367 84 F CB -0.338 38.573 39.000 -0.148 0.000 0.970 84 F HN 0.297 nan 8.300 nan 0.000 0.514 85 F N 0.095 120.127 119.950 0.138 0.000 2.802 85 F HA 0.159 4.677 4.527 -0.014 0.000 0.300 85 F C 2.198 177.980 175.800 -0.031 0.000 1.168 85 F CA -0.187 57.834 58.000 0.034 0.000 1.433 85 F CB -1.285 37.767 39.000 0.086 0.000 1.115 85 F HN 0.134 nan 8.300 nan 0.000 0.582 86 G N 1.422 110.341 108.800 0.198 0.000 2.491 86 G HA2 -0.332 3.620 3.960 -0.014 0.000 0.218 86 G HA3 -0.332 3.620 3.960 -0.014 0.000 0.218 86 G C 1.738 176.758 174.900 0.200 0.000 1.180 86 G CA 1.163 46.382 45.100 0.197 0.000 0.774 86 G HN 0.446 nan 8.290 nan 0.000 0.562 87 M N 0.337 120.040 119.600 0.171 0.000 2.426 87 M HA 0.005 4.477 4.480 -0.014 0.000 0.261 87 M C 1.466 177.796 176.300 0.050 0.000 1.068 87 M CA 1.262 56.662 55.300 0.166 0.000 1.066 87 M CB -0.521 32.164 32.600 0.141 0.000 1.399 87 M HN 0.036 nan 8.290 nan 0.000 0.449 88 R N 1.350 121.715 120.500 -0.226 0.000 4.218 88 R HA 0.092 4.424 4.340 -0.014 0.000 0.208 88 R C -0.901 175.170 176.300 -0.383 0.000 2.100 88 R CA 0.231 55.937 56.100 -0.656 0.000 1.727 88 R CB -1.195 28.427 30.300 -1.130 0.000 1.186 88 R HN 0.592 nan 8.270 nan 0.000 0.645 89 H N -0.164 119.016 119.070 0.184 0.000 2.569 89 H HA 0.287 4.835 4.556 -0.014 0.000 0.357 89 H C 0.209 175.733 175.328 0.326 0.000 1.153 89 H CA -0.884 55.325 56.048 0.267 0.000 1.193 89 H CB 1.472 31.360 29.762 0.211 0.000 1.602 89 H HN -0.109 nan 8.280 nan 0.000 0.523 90 M N 2.442 122.313 119.600 0.452 0.000 2.974 90 M HA 0.103 4.575 4.480 -0.014 0.000 0.301 90 M C -0.489 176.079 176.300 0.445 0.000 1.409 90 M CA 0.035 55.578 55.300 0.405 0.000 1.515 90 M CB -1.343 31.441 32.600 0.307 0.000 1.163 90 M HN 0.596 nan 8.290 nan 0.000 0.520 91 N N 1.744 120.655 118.700 0.352 0.000 2.386 91 N HA 0.179 4.911 4.740 -0.014 0.000 0.273 91 N C 1.159 176.745 175.510 0.125 0.000 1.331 91 N CA 0.633 53.816 53.050 0.222 0.000 0.891 91 N CB 0.235 38.850 38.487 0.215 0.000 1.139 91 N HN 0.914 nan 8.380 nan 0.000 0.487 92 G N 1.719 110.514 108.800 -0.009 0.000 2.624 92 G HA2 -0.186 3.766 3.960 -0.014 0.000 0.190 92 G HA3 -0.186 3.766 3.960 -0.014 0.000 0.190 92 G C -0.399 174.167 174.900 -0.557 0.000 1.008 92 G CA -0.693 44.221 45.100 -0.311 0.000 0.731 92 G HN 0.418 nan 8.290 nan 0.000 0.478 93 F N 3.724 123.697 119.950 0.038 0.000 2.402 93 F HA 0.565 5.084 4.527 -0.013 0.000 0.355 93 F C -1.746 174.108 175.800 0.090 0.000 1.123 93 F CA -2.425 55.623 58.000 0.080 0.000 1.021 93 F CB 2.244 41.323 39.000 0.131 0.000 1.160 93 F HN -0.113 nan 8.300 nan 0.000 0.451 94 P HA 0.249 nan 4.420 nan 0.000 0.278 94 P C -0.595 176.808 177.300 0.172 0.000 1.258 94 P CA -0.695 62.481 63.100 0.126 0.000 0.811 94 P CB 1.291 33.023 31.700 0.053 0.000 1.063 95 M N 0.684 120.339 119.600 0.092 0.000 2.252 95 M HA 0.119 4.591 4.480 -0.014 0.000 0.333 95 M C 0.628 176.961 176.300 0.055 0.000 1.111 95 M CA 0.244 55.592 55.300 0.079 0.000 1.140 95 M CB -0.068 32.547 32.600 0.024 0.000 1.538 95 M HN 0.085 nan 8.290 nan 0.000 0.448 96 I N 2.099 122.698 120.570 0.047 0.000 2.400 96 I HA 0.026 4.188 4.170 -0.014 0.000 0.248 96 I C -0.497 175.590 176.117 -0.050 0.000 1.109 96 I CA 0.457 61.747 61.300 -0.016 0.000 1.425 96 I CB -2.310 35.672 38.000 -0.029 0.000 1.094 96 I HN 0.621 nan 8.210 nan 0.000 0.425 97 P HA 0.054 nan 4.420 nan 0.000 0.242 97 P C 0.020 177.279 177.300 -0.070 0.000 1.197 97 P CA 0.438 63.539 63.100 0.001 0.000 0.765 97 P CB 0.015 31.775 31.700 0.100 0.000 0.936 98 A N 0.250 122.994 122.820 -0.128 0.000 1.503 98 A HA -0.212 4.100 4.320 -0.014 0.000 0.246 98 A C 0.794 178.300 177.584 -0.130 0.000 1.149 98 A CA 0.877 52.799 52.037 -0.192 0.000 0.965 98 A CB -1.913 16.852 19.000 -0.391 0.000 1.056 98 A HN 0.257 nan 8.150 nan 0.000 0.211 99 T N 1.776 116.283 114.554 -0.078 0.000 2.882 99 T HA 0.079 4.421 4.350 -0.014 0.000 0.330 99 T C 0.248 174.990 174.700 0.070 0.000 1.075 99 T CA 1.154 63.257 62.100 0.005 0.000 1.129 99 T CB -0.037 68.811 68.868 -0.033 0.000 1.071 99 T HN 0.571 nan 8.240 nan 0.000 0.531 100 W N 4.451 125.761 121.300 0.016 0.000 2.438 100 W HA 0.449 5.100 4.660 -0.015 0.000 0.324 100 W C -2.025 174.494 176.519 -0.000 0.000 1.119 100 W CA -2.114 55.265 57.345 0.056 0.000 1.221 100 W CB 0.619 30.136 29.460 0.096 0.000 1.253 100 W HN 0.520 nan 8.180 nan 0.000 0.555 101 P HA 0.132 nan 4.420 nan 0.000 0.275 101 P C -0.936 176.430 177.300 0.110 0.000 1.228 101 P CA -0.319 62.837 63.100 0.092 0.000 0.786 101 P CB 0.554 32.282 31.700 0.047 0.000 0.927 102 L N 1.752 123.004 121.223 0.050 0.000 2.312 102 L HA 0.360 4.692 4.340 -0.014 0.000 0.281 102 L C 1.587 178.475 176.870 0.029 0.000 1.070 102 L CA 0.111 54.983 54.840 0.053 0.000 0.805 102 L CB 0.109 42.199 42.059 0.051 0.000 1.174 102 L HN 0.427 nan 8.230 nan 0.000 0.434 103 A N 1.744 124.575 122.820 0.017 0.000 2.019 103 A HA 0.039 4.351 4.320 -0.014 0.000 0.219 103 A C 1.060 178.648 177.584 0.005 0.000 1.164 103 A CA 1.419 53.462 52.037 0.010 0.000 0.644 103 A CB -0.095 18.897 19.000 -0.013 0.000 0.805 103 A HN 0.597 nan 8.150 nan 0.000 0.449 104 S N -1.053 114.648 115.700 0.001 0.000 2.533 104 S HA 0.414 4.875 4.470 -0.014 0.000 0.271 104 S C -0.468 174.135 174.600 0.006 0.000 1.143 104 S CA -0.234 57.969 58.200 0.004 0.000 0.891 104 S CB 0.957 64.156 63.200 -0.001 0.000 1.105 104 S HN 0.450 nan 8.310 nan 0.000 0.468 105 N N 4.809 123.515 118.700 0.010 0.000 2.234 105 N HA 0.170 4.901 4.740 -0.014 0.000 0.227 105 N C 1.019 176.552 175.510 0.038 0.000 1.151 105 N CA -0.196 52.855 53.050 0.001 0.000 0.865 105 N CB -0.382 38.087 38.487 -0.030 0.000 1.066 105 N HN 0.578 nan 8.380 nan 0.000 0.515 106 L N 0.266 121.517 121.223 0.047 0.000 2.027 106 L HA -0.035 4.297 4.340 -0.014 0.000 0.206 106 L C 2.593 179.505 176.870 0.071 0.000 1.074 106 L CA 1.279 56.162 54.840 0.072 0.000 0.745 106 L CB -0.419 41.676 42.059 0.060 0.000 0.898 106 L HN 0.194 nan 8.230 nan 0.000 0.433 107 K N 0.922 121.346 120.400 0.040 0.000 2.026 107 K HA -0.253 4.059 4.320 -0.014 0.000 0.208 107 K C 2.260 178.900 176.600 0.067 0.000 1.048 107 K CA 1.589 57.897 56.287 0.035 0.000 0.929 107 K CB -0.036 32.460 32.500 -0.008 0.000 0.713 107 K HN 0.094 nan 8.250 nan 0.000 0.439 108 K N 0.656 121.094 120.400 0.063 0.000 2.059 108 K HA -0.231 4.080 4.320 -0.014 0.000 0.212 108 K C 2.199 178.923 176.600 0.206 0.000 1.050 108 K CA 1.770 58.106 56.287 0.083 0.000 0.927 108 K CB -0.037 32.434 32.500 -0.049 0.000 0.714 108 K HN 0.141 nan 8.250 nan 0.000 0.447 109 R N -0.210 120.428 120.500 0.230 0.000 2.075 109 R HA -0.108 4.224 4.340 -0.014 0.000 0.230 109 R C 2.480 178.907 176.300 0.210 0.000 1.140 109 R CA 1.328 57.622 56.100 0.322 0.000 0.928 109 R CB -0.556 29.907 30.300 0.271 0.000 0.834 109 R HN 0.291 nan 8.270 nan 0.000 0.429 110 A N 1.853 124.761 122.820 0.147 0.000 1.881 110 A HA -0.272 4.040 4.320 -0.014 0.000 0.219 110 A C 1.622 179.263 177.584 0.094 0.000 1.215 110 A CA 2.321 54.418 52.037 0.101 0.000 0.648 110 A CB -0.869 18.175 19.000 0.073 0.000 0.832 110 A HN 0.286 nan 8.150 nan 0.000 0.455 111 D N -0.417 120.042 120.400 0.099 0.000 2.315 111 D HA 0.014 4.646 4.640 -0.014 0.000 0.211 111 D C 1.430 177.796 176.300 0.110 0.000 0.977 111 D CA 1.284 55.340 54.000 0.092 0.000 0.894 111 D CB -0.200 40.654 40.800 0.091 0.000 0.910 111 D HN 0.484 nan 8.370 nan 0.000 0.490 112 A N -0.078 122.829 122.820 0.144 0.000 2.500 112 A HA 0.083 4.395 4.320 -0.014 0.000 0.267 112 A C 0.019 177.642 177.584 0.065 0.000 1.290 112 A CA -0.230 51.882 52.037 0.125 0.000 0.928 112 A CB 0.218 19.333 19.000 0.192 0.000 1.066 112 A HN -0.049 nan 8.150 nan 0.000 0.516 113 D N -0.011 120.427 120.400 0.064 0.000 2.812 113 D HA -0.130 4.502 4.640 -0.014 0.000 0.237 113 D C -0.796 175.519 176.300 0.024 0.000 1.162 113 D CA 1.062 55.084 54.000 0.037 0.000 0.740 113 D CB -0.835 39.978 40.800 0.022 0.000 1.000 113 D HN 0.475 nan 8.370 nan 0.000 0.416 114 L N 0.001 121.257 121.223 0.055 0.000 2.401 114 L HA 0.690 5.022 4.340 -0.014 0.000 0.266 114 L C 0.825 177.762 176.870 0.111 0.000 0.991 114 L CA -1.004 53.876 54.840 0.067 0.000 0.818 114 L CB 1.805 43.916 42.059 0.086 0.000 1.321 114 L HN 0.110 nan 8.230 nan 0.000 0.413 115 A N 0.842 123.728 122.820 0.110 0.000 2.492 115 A HA 0.165 4.477 4.320 -0.014 0.000 0.236 115 A C 0.307 177.975 177.584 0.139 0.000 1.078 115 A CA 0.261 52.349 52.037 0.085 0.000 0.773 115 A CB -0.000 19.037 19.000 0.061 0.000 1.023 115 A HN 0.878 nan 8.150 nan 0.000 0.504 116 D N -0.476 119.872 120.400 -0.087 0.000 2.463 116 D HA 0.449 5.080 4.640 -0.014 0.000 0.224 116 D C 0.290 176.033 176.300 -0.929 0.000 1.174 116 D CA 0.536 54.431 54.000 -0.174 0.000 0.829 116 D CB -0.177 40.592 40.800 -0.051 0.000 0.993 116 D HN 1.037 nan 8.370 nan 0.000 0.497 117 G N -0.310 107.628 108.800 -1.438 0.000 2.320 117 G HA2 0.328 4.280 3.960 -0.014 0.000 0.297 117 G HA3 0.328 4.280 3.960 -0.014 0.000 0.297 117 G C -3.215 171.021 174.900 -1.106 0.000 1.344 117 G CA -1.106 42.844 45.100 -1.915 0.000 0.851 117 G HN -0.103 nan 8.290 nan 0.000 0.567 118 P HA 0.213 nan 4.420 nan 0.000 0.266 118 P C 1.167 178.466 177.300 -0.002 0.000 1.195 118 P CA 0.116 63.177 63.100 -0.065 0.000 0.768 118 P CB 1.402 33.126 31.700 0.041 0.000 0.838 119 V N 1.578 121.588 119.914 0.160 0.000 2.599 119 V HA 0.041 4.152 4.120 -0.014 0.000 0.245 119 V C 0.516 176.616 176.094 0.010 0.000 1.046 119 V CA 1.698 64.011 62.300 0.022 0.000 1.065 119 V CB -0.350 31.454 31.823 -0.031 0.000 0.703 119 V HN 0.586 nan 8.190 nan 0.000 0.464 120 S N -0.577 115.152 115.700 0.048 0.000 2.568 120 S HA 0.516 4.978 4.470 -0.014 0.000 0.302 120 S C 0.546 175.160 174.600 0.022 0.000 1.082 120 S CA 0.211 58.421 58.200 0.017 0.000 1.009 120 S CB 1.762 64.966 63.200 0.008 0.000 1.069 120 S HN 0.352 nan 8.310 nan 0.000 0.500 121 E N 1.610 121.810 120.200 0.000 0.000 2.160 121 E HA -0.190 4.151 4.350 -0.014 0.000 0.195 121 E C 1.948 178.548 176.600 -0.000 0.000 0.991 121 E CA 1.543 57.944 56.400 0.000 0.000 0.810 121 E CB -0.183 29.511 29.700 -0.011 0.000 0.742 121 E HN 0.708 nan 8.360 nan 0.000 0.466 122 R N 0.224 120.715 120.500 -0.014 0.000 2.097 122 R HA -0.191 4.140 4.340 -0.014 0.000 0.236 122 R C 1.428 177.704 176.300 -0.040 0.000 1.135 122 R CA 2.143 58.221 56.100 -0.038 0.000 0.934 122 R CB -0.422 29.843 30.300 -0.057 0.000 0.846 122 R HN 0.207 nan 8.270 nan 0.000 0.431 123 D N 0.140 120.532 120.400 -0.014 0.000 2.104 123 D HA -0.191 4.441 4.640 -0.014 0.000 0.194 123 D C 1.606 177.925 176.300 0.033 0.000 0.994 123 D CA 1.433 55.402 54.000 -0.051 0.000 0.830 123 D CB -0.724 40.160 40.800 0.140 0.000 0.959 123 D HN 0.308 nan 8.370 nan 0.000 0.452 124 N N 0.035 118.809 118.700 0.123 0.000 2.094 124 N HA -0.143 4.589 4.740 -0.014 0.000 0.191 124 N C 1.655 177.232 175.510 0.111 0.000 1.023 124 N CA 0.927 54.072 53.050 0.158 0.000 0.857 124 N CB -0.261 38.270 38.487 0.073 0.000 1.013 124 N HN 0.112 nan 8.380 nan 0.000 0.426 125 L N -0.138 121.107 121.223 0.037 0.000 2.109 125 L HA -0.021 4.311 4.340 -0.014 0.000 0.207 125 L C 2.292 179.157 176.870 -0.008 0.000 1.086 125 L CA 0.675 55.524 54.840 0.015 0.000 0.760 125 L CB -0.403 41.651 42.059 -0.009 0.000 0.910 125 L HN 0.198 nan 8.230 nan 0.000 0.437 126 L N -1.533 119.644 121.223 -0.077 0.000 2.017 126 L HA -0.222 4.110 4.340 -0.014 0.000 0.208 126 L C 2.523 179.315 176.870 -0.129 0.000 1.073 126 L CA 1.530 56.271 54.840 -0.165 0.000 0.745 126 L CB -0.537 41.346 42.059 -0.293 0.000 0.894 126 L HN 0.148 nan 8.230 nan 0.000 0.432 127 F N 0.037 119.983 119.950 -0.007 0.000 2.069 127 F HA -0.244 4.275 4.527 -0.013 0.000 0.298 127 F C 2.794 178.603 175.800 0.015 0.000 1.113 127 F CA 1.170 59.177 58.000 0.011 0.000 1.214 127 F CB -0.243 38.766 39.000 0.015 0.000 0.978 127 F HN -0.091 nan 8.300 nan 0.000 0.474 128 R N 0.073 120.699 120.500 0.209 0.000 2.127 128 R HA -0.151 4.181 4.340 -0.014 0.000 0.238 128 R C 2.336 178.678 176.300 0.071 0.000 1.134 128 R CA 1.068 57.233 56.100 0.108 0.000 0.975 128 R CB -0.626 29.718 30.300 0.073 0.000 0.865 128 R HN 0.296 nan 8.270 nan 0.000 0.447 129 A N 1.070 123.910 122.820 0.033 0.000 1.898 129 A HA -0.071 4.241 4.320 -0.014 0.000 0.216 129 A C 2.363 179.942 177.584 -0.008 0.000 1.181 129 A CA 1.496 53.525 52.037 -0.015 0.000 0.620 129 A CB -0.673 18.275 19.000 -0.087 0.000 0.819 129 A HN 0.376 nan 8.150 nan 0.000 0.442 130 A N -0.350 122.475 122.820 0.008 0.000 1.883 130 A HA -0.071 4.241 4.320 -0.014 0.000 0.217 130 A C 2.228 180.000 177.584 0.314 0.000 1.186 130 A CA 1.972 54.114 52.037 0.177 0.000 0.624 130 A CB -1.121 18.080 19.000 0.336 0.000 0.822 130 A HN 0.438 nan 8.150 nan 0.000 0.444 131 V N 0.209 120.257 119.914 0.223 0.000 2.332 131 V HA -0.289 3.823 4.120 -0.014 0.000 0.248 131 V C 2.748 178.971 176.094 0.215 0.000 1.055 131 V CA 2.201 64.605 62.300 0.173 0.000 1.038 131 V CB -0.863 30.947 31.823 -0.023 0.000 0.651 131 V HN 0.470 nan 8.190 nan 0.000 0.450 132 R N -0.243 120.346 120.500 0.150 0.000 2.096 132 R HA -0.104 4.227 4.340 -0.014 0.000 0.229 132 R C 2.340 178.775 176.300 0.226 0.000 1.134 132 R CA 1.719 57.910 56.100 0.151 0.000 0.917 132 R CB -1.006 29.352 30.300 0.097 0.000 0.832 132 R HN 0.421 nan 8.270 nan 0.000 0.430 133 L N 0.383 121.744 121.223 0.230 0.000 2.089 133 L HA -0.249 4.082 4.340 -0.014 0.000 0.213 133 L C 2.732 179.843 176.870 0.402 0.000 1.079 133 L CA 1.485 56.523 54.840 0.331 0.000 0.758 133 L CB -0.383 41.865 42.059 0.316 0.000 0.891 133 L HN 0.297 nan 8.230 nan 0.000 0.433 134 M N -1.494 118.343 119.600 0.396 0.000 2.156 134 M HA -0.129 4.343 4.480 -0.014 0.000 0.264 134 M C 0.933 177.249 176.300 0.027 0.000 1.067 134 M CA 1.661 57.101 55.300 0.234 0.000 1.131 134 M CB 0.067 32.815 32.600 0.246 0.000 1.368 134 M HN 0.074 nan 8.290 nan 0.000 0.416 135 F N -0.389 119.601 119.950 0.068 0.000 2.819 135 F HA 0.229 4.748 4.527 -0.014 0.000 0.294 135 F C 1.564 177.443 175.800 0.131 0.000 1.166 135 F CA -0.266 57.765 58.000 0.052 0.000 1.374 135 F CB -0.621 38.305 39.000 -0.123 0.000 0.956 135 F HN -0.023 nan 8.300 nan 0.000 0.509 136 S N -0.062 115.773 115.700 0.225 0.000 2.321 136 S HA -0.075 4.387 4.470 -0.014 0.000 0.188 136 S C 0.216 174.880 174.600 0.106 0.000 1.080 136 S CA 0.736 59.043 58.200 0.178 0.000 1.198 136 S CB -0.192 63.111 63.200 0.171 0.000 0.926 136 S HN 0.282 nan 8.310 nan 0.000 0.426 137 D N 1.528 121.970 120.400 0.070 0.000 2.622 137 D HA 0.374 5.005 4.640 -0.014 0.000 0.262 137 D C -0.925 175.377 176.300 0.003 0.000 1.189 137 D CA 0.003 54.019 54.000 0.026 0.000 0.985 137 D CB 0.062 40.876 40.800 0.023 0.000 0.994 137 D HN 0.145 nan 8.370 nan 0.000 0.513 138 L N 0.954 122.172 121.223 -0.009 0.000 2.397 138 L HA 0.311 4.642 4.340 -0.014 0.000 0.271 138 L C 0.662 177.509 176.870 -0.037 0.000 1.148 138 L CA -0.065 54.755 54.840 -0.032 0.000 0.825 138 L CB 0.781 42.815 42.059 -0.043 0.000 1.117 138 L HN 0.283 nan 8.230 nan 0.000 0.456 139 E N 3.419 123.600 120.200 -0.031 0.000 2.191 139 E HA 0.366 4.707 4.350 -0.014 0.000 0.263 139 E C -2.393 174.200 176.600 -0.012 0.000 0.881 139 E CA -2.064 54.322 56.400 -0.023 0.000 0.757 139 E CB 1.738 31.426 29.700 -0.019 0.000 1.147 139 E HN 0.302 nan 8.360 nan 0.000 0.414 140 P HA -0.074 nan 4.420 nan 0.000 0.264 140 P C -1.094 176.221 177.300 0.025 0.000 1.183 140 P CA 0.042 63.155 63.100 0.021 0.000 0.763 140 P CB 0.483 32.197 31.700 0.024 0.000 0.807 141 V N 0.418 120.357 119.914 0.042 0.000 3.188 141 V HA 0.716 4.828 4.120 -0.014 0.000 0.305 141 V C -2.918 173.211 176.094 0.057 0.000 1.232 141 V CA -3.034 59.288 62.300 0.036 0.000 1.043 141 V CB 1.670 33.507 31.823 0.024 0.000 1.068 141 V HN 0.212 nan 8.190 nan 0.000 0.439 142 P HA 0.272 nan 4.420 nan 0.000 0.269 142 P C -0.479 176.871 177.300 0.083 0.000 1.215 142 P CA -0.238 62.902 63.100 0.067 0.000 0.780 142 P CB 0.439 32.175 31.700 0.061 0.000 0.898 143 L N 3.144 124.422 121.223 0.091 0.000 2.325 143 L HA 0.204 4.536 4.340 -0.014 0.000 0.284 143 L C -0.068 176.881 176.870 0.131 0.000 1.089 143 L CA -0.213 54.689 54.840 0.103 0.000 0.836 143 L CB -0.106 41.995 42.059 0.071 0.000 1.184 143 L HN 0.270 nan 8.230 nan 0.000 0.444 144 K N 6.713 127.201 120.400 0.146 0.000 2.156 144 K HA 0.525 4.837 4.320 -0.014 0.000 0.271 144 K C -0.823 175.880 176.600 0.172 0.000 0.995 144 K CA -0.622 55.767 56.287 0.171 0.000 0.890 144 K CB 2.288 34.906 32.500 0.197 0.000 1.073 144 K HN 0.586 nan 8.250 nan 0.000 0.454 145 I N 2.559 123.229 120.570 0.167 0.000 2.404 145 I HA 0.255 4.416 4.170 -0.014 0.000 0.293 145 I C 0.170 176.322 176.117 0.057 0.000 0.992 145 I CA -1.105 60.270 61.300 0.124 0.000 1.149 145 I CB 1.642 39.720 38.000 0.130 0.000 1.315 145 I HN 0.447 nan 8.210 nan 0.000 0.446 146 R N 5.895 126.400 120.500 0.007 0.000 2.522 146 R HA 0.099 4.430 4.340 -0.014 0.000 0.284 146 R C -0.548 175.726 176.300 -0.044 0.000 1.032 146 R CA 0.222 56.305 56.100 -0.029 0.000 1.049 146 R CB 0.374 30.648 30.300 -0.043 0.000 0.956 146 R HN 0.437 nan 8.270 nan 0.000 0.422 147 K N 3.003 123.385 120.400 -0.030 0.000 2.326 147 K HA 0.233 4.544 4.320 -0.014 0.000 0.275 147 K C 0.633 177.200 176.600 -0.055 0.000 1.018 147 K CA 0.704 56.977 56.287 -0.024 0.000 0.962 147 K CB 0.773 33.278 32.500 0.009 0.000 0.953 147 K HN 0.902 nan 8.250 nan 0.000 0.475 148 G N 1.566 110.330 108.800 -0.059 0.000 2.179 148 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.257 148 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.257 148 G C -0.060 174.791 174.900 -0.082 0.000 1.010 148 G CA 0.592 45.653 45.100 -0.066 0.000 0.736 148 G HN 0.624 nan 8.290 nan 0.000 0.513 149 S N -1.038 114.595 115.700 -0.111 0.000 2.617 149 S HA 0.760 5.222 4.470 -0.014 0.000 0.283 149 S C 0.255 174.763 174.600 -0.153 0.000 1.189 149 S CA 0.245 58.371 58.200 -0.123 0.000 1.036 149 S CB 2.144 65.255 63.200 -0.147 0.000 1.014 149 S HN 1.344 nan 8.310 nan 0.000 0.522 150 S N 0.848 116.474 115.700 -0.123 0.000 2.513 150 S HA 0.263 4.725 4.470 -0.014 0.000 0.276 150 S C 1.434 175.890 174.600 -0.240 0.000 1.254 150 S CA -0.066 58.057 58.200 -0.130 0.000 1.053 150 S CB 0.478 63.658 63.200 -0.034 0.000 0.958 150 S HN 1.001 nan 8.310 nan 0.000 0.491 151 T N 2.646 117.042 114.554 -0.263 0.000 3.051 151 T HA 0.026 4.367 4.350 -0.014 0.000 0.269 151 T C 1.197 175.695 174.700 -0.336 0.000 1.127 151 T CA 0.691 62.622 62.100 -0.282 0.000 1.107 151 T CB -1.520 67.299 68.868 -0.081 0.000 0.898 151 T HN 0.886 nan 8.240 nan 0.000 0.517 152 C N -0.150 118.786 119.300 -0.607 0.000 0.168 152 C HA -0.218 4.233 4.460 -0.014 0.000 0.017 152 C C 1.025 175.145 174.990 -1.450 0.000 0.171 152 C CA -1.056 57.202 59.018 -1.267 0.000 0.499 152 C CB -1.710 25.709 27.740 -0.535 0.000 3.212 152 C HN 0.757 nan 8.230 nan 0.000 1.118 153 I N 3.475 123.369 120.570 -1.126 0.000 2.989 153 I HA -0.005 4.157 4.170 -0.014 0.000 0.311 153 I C -0.822 175.039 176.117 -0.426 0.000 1.221 153 I CA 0.379 61.326 61.300 -0.588 0.000 1.449 153 I CB 0.356 38.163 38.000 -0.322 0.000 1.325 153 I HN 0.599 nan 8.210 nan 0.000 0.557 154 P HA 0.039 nan 4.420 nan 0.000 0.275 154 P C 0.670 177.836 177.300 -0.223 0.000 1.310 154 P CA 0.519 63.389 63.100 -0.384 0.000 0.904 154 P CB 0.354 31.796 31.700 -0.431 0.000 1.381 155 Y N -0.564 119.721 120.300 -0.025 0.000 2.262 155 Y HA 0.226 4.763 4.550 -0.020 0.000 0.295 155 Y C 1.023 177.058 175.900 0.224 0.000 1.121 155 Y CA 0.131 58.280 58.100 0.082 0.000 1.144 155 Y CB -1.054 37.405 38.460 -0.001 0.000 1.043 155 Y HN -0.272 nan 8.280 nan 0.000 0.528 156 F N -0.226 119.776 119.950 0.087 0.000 3.023 156 F HA -0.236 4.282 4.527 -0.016 0.000 0.297 156 F C 0.722 176.517 175.800 -0.007 0.000 0.858 156 F CA 0.320 58.310 58.000 -0.018 0.000 1.222 156 F CB -1.745 37.215 39.000 -0.067 0.000 1.263 156 F HN -0.021 nan 8.300 nan 0.000 0.565 157 S N -0.262 115.497 115.700 0.098 0.000 2.632 157 S HA 0.476 4.937 4.470 -0.014 0.000 0.267 157 S C 0.964 175.551 174.600 -0.021 0.000 1.276 157 S CA 0.219 58.440 58.200 0.036 0.000 0.998 157 S CB 1.299 64.500 63.200 0.002 0.000 0.953 157 S HN 0.385 nan 8.310 nan 0.000 0.547 158 N N 0.574 119.256 118.700 -0.030 0.000 2.193 158 N HA 0.190 4.922 4.740 -0.014 0.000 0.210 158 N C -1.151 174.324 175.510 -0.059 0.000 1.215 158 N CA -0.138 52.883 53.050 -0.049 0.000 0.901 158 N CB 0.348 38.818 38.487 -0.028 0.000 1.060 158 N HN 0.646 nan 8.380 nan 0.000 0.508 159 D N 0.585 120.953 120.400 -0.053 0.000 2.346 159 D HA -0.016 4.616 4.640 -0.014 0.000 0.260 159 D C 1.342 177.600 176.300 -0.070 0.000 1.252 159 D CA -0.072 53.896 54.000 -0.054 0.000 0.895 159 D CB 0.636 41.406 40.800 -0.050 0.000 1.097 159 D HN -0.002 nan 8.370 nan 0.000 0.489 160 M N 3.971 123.527 119.600 -0.073 0.000 2.195 160 M HA -0.037 4.435 4.480 -0.014 0.000 0.260 160 M C 1.750 177.975 176.300 -0.126 0.000 1.066 160 M CA 2.091 57.329 55.300 -0.104 0.000 1.089 160 M CB -0.663 31.872 32.600 -0.109 0.000 1.377 160 M HN 0.473 nan 8.290 nan 0.000 0.411 161 G N -1.578 107.161 108.800 -0.101 0.000 2.453 161 G HA2 -0.202 3.750 3.960 -0.014 0.000 0.215 161 G HA3 -0.202 3.750 3.960 -0.014 0.000 0.215 161 G C 1.419 176.276 174.900 -0.072 0.000 1.201 161 G CA 1.349 46.393 45.100 -0.094 0.000 0.784 161 G HN 0.488 nan 8.290 nan 0.000 0.545 162 T N 1.027 115.543 114.554 -0.065 0.000 2.720 162 T HA -0.090 4.252 4.350 -0.014 0.000 0.268 162 T C 2.318 177.009 174.700 -0.015 0.000 1.037 162 T CA 1.536 63.601 62.100 -0.059 0.000 1.144 162 T CB -0.153 68.670 68.868 -0.076 0.000 0.864 162 T HN 0.325 nan 8.240 nan 0.000 0.444 163 K N 0.805 121.200 120.400 -0.009 0.000 1.973 163 K HA -0.038 4.274 4.320 -0.014 0.000 0.212 163 K C 2.237 178.928 176.600 0.151 0.000 1.047 163 K CA 1.169 57.505 56.287 0.082 0.000 0.937 163 K CB -0.432 32.037 32.500 -0.052 0.000 0.721 163 K HN 0.218 nan 8.250 nan 0.000 0.440 164 I N 1.992 122.587 120.570 0.041 0.000 2.236 164 I HA -0.279 3.883 4.170 -0.014 0.000 0.249 164 I C 2.466 178.595 176.117 0.019 0.000 1.102 164 I CA 1.539 62.852 61.300 0.021 0.000 1.365 164 I CB -1.089 36.869 38.000 -0.071 0.000 1.051 164 I HN 0.326 nan 8.210 nan 0.000 0.420 165 E N 1.397 121.600 120.200 0.004 0.000 2.015 165 E HA -0.156 4.185 4.350 -0.014 0.000 0.191 165 E C 2.357 178.960 176.600 0.005 0.000 0.991 165 E CA 1.128 57.522 56.400 -0.010 0.000 0.802 165 E CB -0.164 29.516 29.700 -0.032 0.000 0.759 165 E HN 0.470 nan 8.360 nan 0.000 0.447 166 I N 1.142 121.738 120.570 0.043 0.000 2.145 166 I HA -0.347 3.815 4.170 -0.014 0.000 0.244 166 I C 2.625 178.721 176.117 -0.035 0.000 1.075 166 I CA 1.387 62.723 61.300 0.060 0.000 1.332 166 I CB -0.626 37.496 38.000 0.204 0.000 1.033 166 I HN 0.068 nan 8.210 nan 0.000 0.410 167 A N 0.755 123.549 122.820 -0.045 0.000 1.851 167 A HA -0.240 4.071 4.320 -0.014 0.000 0.216 167 A C 2.251 179.742 177.584 -0.155 0.000 1.195 167 A CA 1.915 53.826 52.037 -0.210 0.000 0.622 167 A CB -0.789 18.155 19.000 -0.094 0.000 0.831 167 A HN 0.466 nan 8.150 nan 0.000 0.444 168 E N -1.005 119.150 120.200 -0.074 0.000 2.097 168 E HA -0.280 4.062 4.350 -0.014 0.000 0.196 168 E C 2.279 178.844 176.600 -0.060 0.000 1.000 168 E CA 1.520 57.884 56.400 -0.061 0.000 0.804 168 E CB -0.192 29.494 29.700 -0.023 0.000 0.740 168 E HN 0.502 nan 8.360 nan 0.000 0.454 169 R N 1.307 121.780 120.500 -0.044 0.000 2.073 169 R HA -0.124 4.207 4.340 -0.014 0.000 0.234 169 R C 2.070 178.351 176.300 -0.032 0.000 1.134 169 R CA 1.781 57.869 56.100 -0.020 0.000 0.952 169 R CB -0.775 29.523 30.300 -0.004 0.000 0.850 169 R HN 0.138 nan 8.270 nan 0.000 0.433 170 A N 0.995 123.766 122.820 -0.082 0.000 1.859 170 A HA -0.148 4.163 4.320 -0.014 0.000 0.217 170 A C 2.278 179.779 177.584 -0.137 0.000 1.198 170 A CA 1.836 53.805 52.037 -0.113 0.000 0.629 170 A CB -0.945 17.926 19.000 -0.215 0.000 0.830 170 A HN 0.380 nan 8.150 nan 0.000 0.446 171 L N -1.000 120.067 121.223 -0.261 0.000 2.261 171 L HA -0.224 4.107 4.340 -0.014 0.000 0.216 171 L C 2.506 179.367 176.870 -0.014 0.000 1.114 171 L CA 1.640 56.237 54.840 -0.404 0.000 0.777 171 L CB -0.620 41.118 42.059 -0.534 0.000 0.910 171 L HN 0.579 nan 8.230 nan 0.000 0.440 172 E N 0.063 120.254 120.200 -0.015 0.000 2.030 172 E HA -0.101 4.240 4.350 -0.014 0.000 0.189 172 E C 1.717 178.314 176.600 -0.005 0.000 0.974 172 E CA 0.594 57.009 56.400 0.025 0.000 0.807 172 E CB 0.296 30.004 29.700 0.012 0.000 0.771 172 E HN 0.190 nan 8.360 nan 0.000 0.451 173 K N 0.385 120.771 120.400 -0.023 0.000 2.444 173 K HA 0.144 4.456 4.320 -0.014 0.000 0.193 173 K C 1.541 177.997 176.600 -0.240 0.000 1.024 173 K CA 0.368 56.581 56.287 -0.123 0.000 1.077 173 K CB 0.620 33.137 32.500 0.028 0.000 0.833 173 K HN 0.082 nan 8.250 nan 0.000 0.517 174 A N 1.869 124.651 122.820 -0.063 0.000 1.903 174 A HA -0.266 4.045 4.320 -0.014 0.000 0.219 174 A C 2.198 179.761 177.584 -0.035 0.000 1.191 174 A CA 1.993 54.083 52.037 0.089 0.000 0.638 174 A CB -0.382 18.900 19.000 0.469 0.000 0.823 174 A HN 0.471 nan 8.150 nan 0.000 0.451 175 E N -0.485 119.417 120.200 -0.497 0.000 2.051 175 E HA -0.221 4.121 4.350 -0.014 0.000 0.192 175 E C 2.024 178.254 176.600 -0.617 0.000 0.991 175 E CA 1.200 56.833 56.400 -1.279 0.000 0.799 175 E CB -0.205 28.487 29.700 -1.681 0.000 0.748 175 E HN 0.700 nan 8.360 nan 0.000 0.449 176 E N 0.456 120.389 120.200 -0.445 0.000 2.065 176 E HA -0.187 4.155 4.350 -0.014 0.000 0.201 176 E C 0.641 177.079 176.600 -0.269 0.000 1.016 176 E CA 0.905 57.113 56.400 -0.320 0.000 0.818 176 E CB -0.196 29.317 29.700 -0.312 0.000 0.749 176 E HN 0.270 nan 8.360 nan 0.000 0.453 177 A N -0.721 121.875 122.820 -0.374 0.000 2.386 177 A HA 0.415 4.727 4.320 -0.014 0.000 0.248 177 A C 1.139 178.703 177.584 -0.034 0.000 1.082 177 A CA 0.581 52.497 52.037 -0.202 0.000 0.789 177 A CB 0.572 19.438 19.000 -0.225 0.000 1.025 177 A HN 0.375 nan 8.150 nan 0.000 0.490 178 G N 1.102 109.919 108.800 0.028 0.000 2.956 178 G HA2 -0.295 3.656 3.960 -0.014 0.000 0.210 178 G HA3 -0.295 3.656 3.960 -0.014 0.000 0.210 178 G C 1.117 176.089 174.900 0.120 0.000 1.316 178 G CA 0.657 45.835 45.100 0.130 0.000 0.819 178 G HN 0.659 nan 8.290 nan 0.000 0.544 179 N N 0.773 119.533 118.700 0.099 0.000 2.309 179 N HA 0.131 4.862 4.740 -0.014 0.000 0.182 179 N C 2.305 177.810 175.510 -0.009 0.000 1.018 179 N CA 1.216 54.308 53.050 0.071 0.000 0.876 179 N CB -0.213 38.275 38.487 0.000 0.000 0.972 179 N HN 0.549 nan 8.380 nan 0.000 0.434 180 L N 0.212 121.411 121.223 -0.041 0.000 2.093 180 L HA -0.016 4.315 4.340 -0.014 0.000 0.208 180 L C 2.023 178.786 176.870 -0.179 0.000 1.085 180 L CA 0.841 55.635 54.840 -0.076 0.000 0.755 180 L CB -0.090 41.941 42.059 -0.046 0.000 0.904 180 L HN 0.183 nan 8.230 nan 0.000 0.435 181 M N -1.111 118.366 119.600 -0.205 0.000 2.349 181 M HA -0.148 4.324 4.480 -0.014 0.000 0.266 181 M C 2.126 178.194 176.300 -0.387 0.000 1.076 181 M CA 1.160 56.154 55.300 -0.511 0.000 1.126 181 M CB -0.122 32.343 32.600 -0.225 0.000 1.392 181 M HN 0.235 nan 8.290 nan 0.000 0.440 182 L N 0.054 121.201 121.223 -0.126 0.000 2.083 182 L HA -0.208 4.123 4.340 -0.014 0.000 0.209 182 L C 2.178 178.998 176.870 -0.084 0.000 1.083 182 L CA 1.306 56.120 54.840 -0.043 0.000 0.752 182 L CB -0.573 41.507 42.059 0.035 0.000 0.899 182 L HN 0.388 nan 8.230 nan 0.000 0.433 183 Q N -0.294 119.435 119.800 -0.117 0.000 2.482 183 Q HA 0.011 4.343 4.340 -0.014 0.000 0.209 183 Q C 1.517 177.426 176.000 -0.152 0.000 0.961 183 Q CA 0.583 56.327 55.803 -0.099 0.000 0.945 183 Q CB 0.193 28.885 28.738 -0.076 0.000 1.012 183 Q HN 0.631 nan 8.270 nan 0.000 0.515 184 G N 1.573 110.183 108.800 -0.317 0.000 2.184 184 G HA2 -0.322 3.630 3.960 -0.014 0.000 0.264 184 G HA3 -0.322 3.630 3.960 -0.014 0.000 0.264 184 G C 0.226 174.907 174.900 -0.365 0.000 0.975 184 G CA 0.174 45.053 45.100 -0.370 0.000 0.642 184 G HN 0.288 nan 8.290 nan 0.000 0.536 185 K N 0.504 120.711 120.400 -0.322 0.000 3.006 185 K HA 0.399 4.710 4.320 -0.014 0.000 0.265 185 K C 1.136 177.644 176.600 -0.153 0.000 1.279 185 K CA -0.526 55.669 56.287 -0.154 0.000 1.229 185 K CB -0.461 31.986 32.500 -0.088 0.000 1.555 185 K HN 0.391 nan 8.250 nan 0.000 0.300 186 F N 0.709 120.680 119.950 0.035 0.000 2.171 186 F HA -0.249 4.269 4.527 -0.015 0.000 0.300 186 F C 1.866 177.695 175.800 0.048 0.000 1.090 186 F CA 1.041 59.060 58.000 0.031 0.000 1.293 186 F CB 0.068 39.070 39.000 0.004 0.000 1.013 186 F HN 0.328 nan 8.300 nan 0.000 0.486 187 D N 0.364 120.886 120.400 0.204 0.000 2.077 187 D HA -0.152 4.479 4.640 -0.014 0.000 0.196 187 D C 1.813 178.204 176.300 0.153 0.000 0.986 187 D CA 1.520 55.618 54.000 0.164 0.000 0.829 187 D CB -0.701 40.166 40.800 0.112 0.000 0.983 187 D HN 0.134 nan 8.370 nan 0.000 0.453 188 D N 0.941 121.398 120.400 0.095 0.000 2.154 188 D HA -0.216 4.415 4.640 -0.014 0.000 0.190 188 D C 1.951 178.318 176.300 0.112 0.000 1.003 188 D CA 1.807 55.852 54.000 0.074 0.000 0.849 188 D CB -0.567 40.260 40.800 0.044 0.000 0.942 188 D HN 0.186 nan 8.370 nan 0.000 0.446 189 A N 0.029 122.927 122.820 0.129 0.000 1.869 189 A HA -0.293 4.019 4.320 -0.014 0.000 0.218 189 A C 2.291 180.014 177.584 0.232 0.000 1.203 189 A CA 2.106 54.249 52.037 0.178 0.000 0.638 189 A CB -1.337 17.747 19.000 0.139 0.000 0.831 189 A HN 0.422 nan 8.150 nan 0.000 0.450 190 Y N 0.865 121.206 120.300 0.068 0.000 2.133 190 Y HA -0.232 4.313 4.550 -0.008 0.000 0.287 190 Y C 2.674 178.566 175.900 -0.013 0.000 1.134 190 Y CA 2.231 60.340 58.100 0.015 0.000 1.133 190 Y CB -0.540 37.909 38.460 -0.018 0.000 0.987 190 Y HN 0.485 nan 8.280 nan 0.000 0.502 191 Q N 0.012 119.799 119.800 -0.021 0.000 2.152 191 Q HA -0.205 4.126 4.340 -0.014 0.000 0.206 191 Q C 2.160 178.033 176.000 -0.211 0.000 0.985 191 Q CA 2.056 57.754 55.803 -0.174 0.000 0.863 191 Q CB -0.452 28.264 28.738 -0.037 0.000 0.904 191 Q HN 0.542 nan 8.270 nan 0.000 0.422 192 L N -1.030 120.094 121.223 -0.165 0.000 2.446 192 L HA 0.018 4.350 4.340 -0.014 0.000 0.219 192 L C 0.523 176.979 176.870 -0.689 0.000 1.116 192 L CA 0.710 55.310 54.840 -0.398 0.000 0.844 192 L CB -0.038 41.756 42.059 -0.443 0.000 0.970 192 L HN 0.286 nan 8.230 nan 0.000 0.457 193 H N -2.060 116.961 119.070 -0.082 0.000 3.233 193 H HA 0.155 4.709 4.556 -0.003 0.000 0.252 193 H C -0.315 174.960 175.328 -0.088 0.000 1.175 193 H CA -0.644 55.365 56.048 -0.063 0.000 1.018 193 H CB 0.326 30.070 29.762 -0.030 0.000 2.006 193 H HN -0.037 nan 8.280 nan 0.000 0.714 194 Q N 0.195 119.917 119.800 -0.130 0.000 2.372 194 Q HA -0.226 4.106 4.340 -0.014 0.000 0.333 194 Q C -0.653 175.376 176.000 0.048 0.000 1.285 194 Q CA 0.920 56.564 55.803 -0.265 0.000 0.983 194 Q CB -1.684 26.827 28.738 -0.379 0.000 1.229 194 Q HN 0.593 nan 8.270 nan 0.000 0.442 195 M N -0.044 119.651 119.600 0.158 0.000 2.055 195 M HA 0.566 5.037 4.480 -0.014 0.000 0.346 195 M C 0.795 177.197 176.300 0.169 0.000 1.074 195 M CA 0.406 55.777 55.300 0.118 0.000 1.009 195 M CB 1.408 34.054 32.600 0.077 0.000 1.423 195 M HN 0.467 nan 8.290 nan 0.000 0.410 196 G N 1.020 109.862 108.800 0.069 0.000 2.247 196 G HA2 0.361 4.313 3.960 -0.014 0.000 0.229 196 G HA3 0.361 4.313 3.960 -0.014 0.000 0.229 196 G C 0.037 174.731 174.900 -0.343 0.000 1.345 196 G CA -0.204 44.842 45.100 -0.089 0.000 1.100 196 G HN 1.131 nan 8.290 nan 0.000 0.473 197 G N -0.368 108.063 108.800 -0.615 0.000 4.163 197 G HA2 0.403 4.355 3.960 -0.014 0.000 0.300 197 G HA3 0.403 4.355 3.960 -0.014 0.000 0.300 197 G C 0.921 175.561 174.900 -0.433 0.000 1.488 197 G CA 2.485 47.105 45.100 -0.801 0.000 1.052 197 G HN 3.034 nan 8.290 nan 0.000 0.687 198 A N -2.357 120.249 122.820 -0.355 0.000 2.549 198 A HA 0.646 4.957 4.320 -0.014 0.000 0.291 198 A C -1.104 176.360 177.584 -0.201 0.000 1.034 198 A CA -0.122 51.788 52.037 -0.212 0.000 0.655 198 A CB 0.055 19.015 19.000 -0.067 0.000 1.299 198 A HN 1.505 nan 8.150 nan 0.000 0.427 199 Y N -0.417 119.877 120.300 -0.011 0.000 2.316 199 Y HA 0.487 5.031 4.550 -0.011 0.000 0.324 199 Y C -0.092 175.883 175.900 0.126 0.000 1.267 199 Y CA 0.744 58.858 58.100 0.022 0.000 1.311 199 Y CB 1.013 39.462 38.460 -0.019 0.000 1.267 199 Y HN 0.640 nan 8.280 nan 0.000 0.516 200 Y N 1.854 122.277 120.300 0.206 0.000 2.356 200 Y HA 0.489 5.030 4.550 -0.014 0.000 0.334 200 Y C -0.801 175.178 175.900 0.132 0.000 0.958 200 Y CA -1.222 57.023 58.100 0.241 0.000 1.196 200 Y CB 0.472 39.110 38.460 0.297 0.000 1.137 200 Y HN 0.335 nan 8.280 nan 0.000 0.485 201 V N 7.695 127.410 119.914 -0.332 0.000 2.509 201 V HA 0.105 4.217 4.120 -0.014 0.000 0.297 201 V C 0.021 175.790 176.094 -0.543 0.000 1.014 201 V CA 0.203 62.236 62.300 -0.445 0.000 1.127 201 V CB -0.184 31.296 31.823 -0.572 0.000 0.925 201 V HN 0.607 nan 8.190 nan 0.000 0.480 202 V N 3.824 123.510 119.914 -0.379 0.000 2.540 202 V HA 0.553 4.665 4.120 -0.014 0.000 0.302 202 V C -0.914 174.972 176.094 -0.346 0.000 1.035 202 V CA -0.915 61.235 62.300 -0.250 0.000 0.873 202 V CB 1.504 33.341 31.823 0.024 0.000 0.992 202 V HN 0.574 nan 8.190 nan 0.000 0.428 203 Y N 4.196 124.476 120.300 -0.034 0.000 2.724 203 Y HA 0.428 4.970 4.550 -0.013 0.000 0.332 203 Y C 1.140 176.992 175.900 -0.080 0.000 1.276 203 Y CA -0.497 57.565 58.100 -0.064 0.000 1.597 203 Y CB 0.087 38.501 38.460 -0.077 0.000 1.584 203 Y HN 0.717 nan 8.280 nan 0.000 0.478 204 R N 2.284 122.816 120.500 0.054 0.000 2.404 204 R HA 0.429 4.761 4.340 -0.014 0.000 0.315 204 R C -0.431 175.825 176.300 -0.073 0.000 1.032 204 R CA -0.074 56.004 56.100 -0.036 0.000 0.992 204 R CB 0.242 30.549 30.300 0.012 0.000 0.959 204 R HN 0.608 nan 8.270 nan 0.000 0.428 205 A N 4.421 127.136 122.820 -0.175 0.000 2.309 205 A HA 0.159 4.471 4.320 -0.014 0.000 0.298 205 A C -0.401 177.094 177.584 -0.148 0.000 1.165 205 A CA -0.525 51.427 52.037 -0.142 0.000 0.821 205 A CB 0.999 19.906 19.000 -0.155 0.000 1.102 205 A HN 0.809 nan 8.150 nan 0.000 0.500 206 Q N 1.687 121.422 119.800 -0.107 0.000 2.465 206 Q HA 0.281 4.613 4.340 -0.014 0.000 0.237 206 Q C 1.034 176.962 176.000 -0.119 0.000 1.051 206 Q CA 0.317 56.067 55.803 -0.089 0.000 0.874 206 Q CB 0.684 29.381 28.738 -0.069 0.000 1.207 206 Q HN 0.937 nan 8.270 nan 0.000 0.508 207 S N 1.368 117.016 115.700 -0.086 0.000 2.520 207 S HA -0.102 4.359 4.470 -0.014 0.000 0.249 207 S C 0.445 174.984 174.600 -0.101 0.000 0.983 207 S CA 0.885 59.044 58.200 -0.068 0.000 0.958 207 S CB -0.375 62.850 63.200 0.041 0.000 0.750 207 S HN 0.625 nan 8.310 nan 0.000 0.527 208 T N -1.618 112.879 114.554 -0.094 0.000 3.293 208 T HA 0.627 4.969 4.350 -0.014 0.000 0.320 208 T C -1.508 173.216 174.700 0.039 0.000 0.995 208 T CA -0.884 61.237 62.100 0.034 0.000 1.041 208 T CB 1.874 70.846 68.868 0.174 0.000 1.058 208 T HN 0.054 nan 8.240 nan 0.000 0.453 209 D N 1.320 121.791 120.400 0.118 0.000 2.585 209 D HA 0.728 5.360 4.640 -0.014 0.000 0.254 209 D C 0.026 176.421 176.300 0.159 0.000 1.067 209 D CA -0.570 53.483 54.000 0.087 0.000 1.090 209 D CB 2.044 42.849 40.800 0.009 0.000 1.408 209 D HN 0.917 nan 8.370 nan 0.000 0.554 210 A N 0.643 123.511 122.820 0.079 0.000 2.540 210 A HA 0.430 4.742 4.320 -0.014 0.000 0.239 210 A C -0.120 177.485 177.584 0.036 0.000 1.061 210 A CA 0.563 52.640 52.037 0.067 0.000 0.758 210 A CB -0.260 18.760 19.000 0.034 0.000 0.991 210 A HN 0.450 nan 8.150 nan 0.000 0.502 211 I N 1.956 122.572 120.570 0.077 0.000 2.610 211 I HA 0.366 4.528 4.170 -0.014 0.000 0.289 211 I C -0.189 176.053 176.117 0.209 0.000 1.163 211 I CA -0.323 60.991 61.300 0.023 0.000 1.044 211 I CB 2.801 40.792 38.000 -0.015 0.000 1.251 211 I HN 0.816 nan 8.210 nan 0.000 0.424 212 T N 3.110 117.747 114.554 0.138 0.000 2.901 212 T HA 0.652 4.994 4.350 -0.014 0.000 0.293 212 T C -1.053 173.625 174.700 -0.036 0.000 1.084 212 T CA -0.804 61.403 62.100 0.177 0.000 1.008 212 T CB 2.467 71.405 68.868 0.117 0.000 1.170 212 T HN 0.232 nan 8.240 nan 0.000 0.509 213 L N 2.352 123.512 121.223 -0.105 0.000 2.294 213 L HA 0.433 4.765 4.340 -0.014 0.000 0.283 213 L C -0.469 176.283 176.870 -0.197 0.000 1.015 213 L CA -0.571 54.000 54.840 -0.450 0.000 0.831 213 L CB 0.791 42.494 42.059 -0.594 0.000 1.217 213 L HN 0.800 nan 8.230 nan 0.000 0.420 214 D N 7.066 127.348 120.400 -0.197 0.000 2.359 214 D HA 0.138 4.769 4.640 -0.014 0.000 0.250 214 D C -1.752 174.481 176.300 -0.111 0.000 1.264 214 D CA -1.621 52.317 54.000 -0.103 0.000 0.911 214 D CB 1.614 42.368 40.800 -0.077 0.000 1.056 214 D HN 0.367 nan 8.370 nan 0.000 0.499 215 P HA -0.197 nan 4.420 nan 0.000 0.216 215 P C 1.239 178.510 177.300 -0.049 0.000 1.150 215 P CA 1.249 64.315 63.100 -0.057 0.000 0.843 215 P CB 0.306 31.992 31.700 -0.023 0.000 0.787 216 K N 0.092 120.469 120.400 -0.038 0.000 1.987 216 K HA -0.191 4.120 4.320 -0.014 0.000 0.216 216 K C 2.055 178.635 176.600 -0.033 0.000 1.051 216 K CA 2.908 59.179 56.287 -0.027 0.000 0.942 216 K CB -1.550 30.938 32.500 -0.019 0.000 0.722 216 K HN 0.249 nan 8.250 nan 0.000 0.444 217 T N -4.072 110.456 114.554 -0.042 0.000 2.698 217 T HA 0.129 4.471 4.350 -0.014 0.000 0.260 217 T C 1.719 176.386 174.700 -0.055 0.000 1.044 217 T CA 1.637 63.714 62.100 -0.040 0.000 1.149 217 T CB -0.513 68.335 68.868 -0.034 0.000 0.864 217 T HN 0.569 nan 8.240 nan 0.000 0.419 218 G N 0.469 109.209 108.800 -0.099 0.000 2.229 218 G HA2 -0.095 3.856 3.960 -0.014 0.000 0.189 218 G HA3 -0.095 3.856 3.960 -0.014 0.000 0.189 218 G C 0.063 174.857 174.900 -0.177 0.000 1.000 218 G CA 0.067 45.093 45.100 -0.123 0.000 0.663 218 G HN 0.705 nan 8.290 nan 0.000 0.493 219 K N 0.030 120.345 120.400 -0.141 0.000 2.139 219 K HA 0.794 5.106 4.320 -0.014 0.000 0.243 219 K C -0.266 176.228 176.600 -0.176 0.000 0.983 219 K CA -0.945 55.292 56.287 -0.083 0.000 0.890 219 K CB 0.703 33.221 32.500 0.030 0.000 1.090 219 K HN 0.007 nan 8.250 nan 0.000 0.445 220 F N 0.011 119.944 119.950 -0.028 0.000 2.370 220 F HA 0.388 4.907 4.527 -0.014 0.000 0.319 220 F C 0.388 176.258 175.800 0.116 0.000 1.129 220 F CA -0.533 57.464 58.000 -0.006 0.000 1.109 220 F CB 1.157 40.154 39.000 -0.005 0.000 1.262 220 F HN -0.055 nan 8.300 nan 0.000 0.534 221 V N 0.768 120.803 119.914 0.203 0.000 2.760 221 V HA 0.363 4.475 4.120 -0.014 0.000 0.309 221 V C -1.059 174.848 176.094 -0.311 0.000 1.077 221 V CA -1.008 61.288 62.300 -0.006 0.000 0.910 221 V CB 2.215 34.034 31.823 -0.008 0.000 1.008 221 V HN 0.778 nan 8.190 nan 0.000 0.424 222 S N 3.381 118.743 115.700 -0.563 0.000 2.442 222 S HA 0.450 4.912 4.470 -0.014 0.000 0.297 222 S C -0.279 174.169 174.600 -0.253 0.000 1.131 222 S CA -0.780 57.032 58.200 -0.648 0.000 1.092 222 S CB 1.073 63.657 63.200 -1.026 0.000 0.998 222 S HN 0.748 nan 8.310 nan 0.000 0.478 223 K N 2.770 123.078 120.400 -0.153 0.000 2.366 223 K HA -0.076 4.235 4.320 -0.014 0.000 0.272 223 K C -0.717 175.847 176.600 -0.060 0.000 1.151 223 K CA 0.005 56.250 56.287 -0.071 0.000 1.173 223 K CB -0.220 32.260 32.500 -0.034 0.000 0.853 223 K HN 0.567 nan 8.250 nan 0.000 0.473 224 D N 3.566 123.940 120.400 -0.044 0.000 2.506 224 D HA -0.018 4.614 4.640 -0.014 0.000 0.234 224 D C 0.019 176.298 176.300 -0.035 0.000 1.143 224 D CA 0.706 54.688 54.000 -0.031 0.000 0.871 224 D CB 0.533 41.327 40.800 -0.010 0.000 1.190 224 D HN 0.384 nan 8.370 nan 0.000 0.459 225 R N 2.140 122.611 120.500 -0.049 0.000 2.451 225 R HA 0.264 4.596 4.340 -0.014 0.000 0.307 225 R C -0.372 175.860 176.300 -0.113 0.000 0.965 225 R CA -0.843 55.217 56.100 -0.067 0.000 0.865 225 R CB 1.293 31.554 30.300 -0.065 0.000 1.174 225 R HN 0.333 nan 8.270 nan 0.000 0.455 226 M N 3.520 123.050 119.600 -0.117 0.000 2.217 226 M HA 0.218 4.690 4.480 -0.014 0.000 0.354 226 M C 0.245 176.393 176.300 -0.253 0.000 1.225 226 M CA -0.477 54.714 55.300 -0.181 0.000 1.137 226 M CB 0.798 33.324 32.600 -0.123 0.000 1.576 226 M HN 0.340 nan 8.290 nan 0.000 0.461 227 V N 0.505 120.169 119.914 -0.417 0.000 2.686 227 V HA 0.952 5.064 4.120 -0.014 0.000 0.306 227 V C -0.459 175.371 176.094 -0.440 0.000 1.065 227 V CA -1.200 60.856 62.300 -0.406 0.000 0.894 227 V CB 1.418 32.979 31.823 -0.437 0.000 1.004 227 V HN 0.937 nan 8.190 nan 0.000 0.424 228 A N 3.694 126.342 122.820 -0.286 0.000 2.301 228 A HA 0.709 5.021 4.320 -0.014 0.000 0.298 228 A C 0.088 177.718 177.584 0.077 0.000 1.185 228 A CA -0.251 51.617 52.037 -0.282 0.000 0.830 228 A CB 0.271 18.922 19.000 -0.582 0.000 1.112 228 A HN 1.196 nan 8.150 nan 0.000 0.508 229 D N 1.510 122.044 120.400 0.223 0.000 2.371 229 D HA 0.046 4.678 4.640 -0.014 0.000 0.242 229 D C 0.836 177.084 176.300 -0.086 0.000 1.218 229 D CA -0.600 53.545 54.000 0.242 0.000 0.945 229 D CB 0.125 41.112 40.800 0.311 0.000 1.137 229 D HN 0.352 nan 8.370 nan 0.000 0.464 230 F N 0.551 120.071 119.950 -0.718 0.000 2.043 230 F HA -0.277 4.241 4.527 -0.014 0.000 0.297 230 F C 2.114 177.675 175.800 -0.399 0.000 1.118 230 F CA 2.064 59.454 58.000 -1.017 0.000 1.202 230 F CB -0.162 38.120 39.000 -1.197 0.000 0.965 230 F HN 0.293 nan 8.300 nan 0.000 0.482 231 E N -0.541 119.519 120.200 -0.234 0.000 2.130 231 E HA -0.308 4.034 4.350 -0.014 0.000 0.196 231 E C 2.071 178.543 176.600 -0.213 0.000 0.998 231 E CA 1.787 58.048 56.400 -0.231 0.000 0.806 231 E CB -0.946 28.732 29.700 -0.037 0.000 0.738 231 E HN 0.717 nan 8.360 nan 0.000 0.459 232 Y N 0.642 120.818 120.300 -0.207 0.000 2.109 232 Y HA -0.225 4.317 4.550 -0.014 0.000 0.285 232 Y C 2.363 178.149 175.900 -0.189 0.000 1.131 232 Y CA 1.861 59.879 58.100 -0.137 0.000 1.121 232 Y CB -0.293 38.143 38.460 -0.039 0.000 0.987 232 Y HN 0.051 nan 8.280 nan 0.000 0.495 233 A N -0.263 122.644 122.820 0.145 0.000 1.986 233 A HA -0.248 4.064 4.320 -0.014 0.000 0.220 233 A C 2.089 179.586 177.584 -0.145 0.000 1.171 233 A CA 2.506 54.569 52.037 0.044 0.000 0.640 233 A CB -1.466 17.563 19.000 0.049 0.000 0.811 233 A HN 0.455 nan 8.150 nan 0.000 0.451 234 V N -1.433 118.235 119.914 -0.410 0.000 2.591 234 V HA -0.106 4.005 4.120 -0.014 0.000 0.249 234 V C 2.388 178.337 176.094 -0.242 0.000 1.053 234 V CA 1.970 64.028 62.300 -0.403 0.000 1.068 234 V CB -1.759 29.657 31.823 -0.678 0.000 0.689 234 V HN 0.721 nan 8.190 nan 0.000 0.462 235 T N -2.385 112.023 114.554 -0.244 0.000 3.107 235 T HA 0.349 4.691 4.350 -0.014 0.000 0.249 235 T C 1.597 176.184 174.700 -0.189 0.000 1.096 235 T CA 0.657 62.637 62.100 -0.200 0.000 1.012 235 T CB 0.145 68.880 68.868 -0.221 0.000 0.977 235 T HN 1.249 nan 8.240 nan 0.000 0.527 236 G N 0.556 109.264 108.800 -0.155 0.000 2.203 236 G HA2 0.073 4.025 3.960 -0.014 0.000 0.263 236 G HA3 0.073 4.025 3.960 -0.014 0.000 0.263 236 G C 1.018 175.793 174.900 -0.207 0.000 1.012 236 G CA 0.500 45.541 45.100 -0.099 0.000 0.749 236 G HN 1.773 nan 8.290 nan 0.000 0.512 237 G N -1.525 106.909 108.800 -0.611 0.000 2.352 237 G HA2 -0.183 3.768 3.960 -0.014 0.000 0.204 237 G HA3 -0.183 3.768 3.960 -0.014 0.000 0.204 237 G C 0.844 175.332 174.900 -0.687 0.000 1.004 237 G CA 0.820 45.286 45.100 -1.057 0.000 0.648 237 G HN 0.723 nan 8.290 nan 0.000 0.491 238 E N 0.909 120.872 120.200 -0.395 0.000 2.035 238 E HA -0.092 4.250 4.350 -0.014 0.000 0.204 238 E C 2.136 178.594 176.600 -0.237 0.000 1.025 238 E CA 2.189 58.441 56.400 -0.246 0.000 0.835 238 E CB -0.039 29.557 29.700 -0.175 0.000 0.764 238 E HN 0.772 nan 8.360 nan 0.000 0.457 239 Q N -1.745 117.903 119.800 -0.253 0.000 3.182 239 Q HA 0.504 4.835 4.340 -0.014 0.000 0.212 239 Q C 0.786 176.686 176.000 -0.167 0.000 1.099 239 Q CA -0.432 55.270 55.803 -0.167 0.000 0.680 239 Q CB -0.363 28.308 28.738 -0.113 0.000 3.554 239 Q HN 0.291 nan 8.270 nan 0.000 0.361 240 G N 1.020 109.788 108.800 -0.054 0.000 2.939 240 G HA2 -0.216 3.736 3.960 -0.014 0.000 0.278 240 G HA3 -0.216 3.736 3.960 -0.014 0.000 0.278 240 G C -0.274 174.734 174.900 0.180 0.000 1.487 240 G CA 0.100 45.234 45.100 0.058 0.000 0.935 240 G HN 0.854 nan 8.290 nan 0.000 0.553 241 S N -1.195 114.666 115.700 0.270 0.000 2.766 241 S HA 0.815 5.277 4.470 -0.014 0.000 0.307 241 S C -0.638 174.212 174.600 0.417 0.000 1.121 241 S CA -0.440 57.953 58.200 0.322 0.000 0.980 241 S CB 2.321 65.618 63.200 0.161 0.000 1.159 241 S HN 1.985 nan 8.310 nan 0.000 0.546 242 L N 1.705 123.122 121.223 0.323 0.000 2.573 242 L HA 0.631 4.963 4.340 -0.014 0.000 0.260 242 L C -1.459 175.531 176.870 0.201 0.000 0.997 242 L CA -0.745 54.140 54.840 0.074 0.000 0.890 242 L CB 0.306 42.274 42.059 -0.151 0.000 1.179 242 L HN 0.777 nan 8.230 nan 0.000 0.439 243 F N 2.529 122.460 119.950 -0.033 0.000 2.671 243 F HA 1.008 5.527 4.527 -0.014 0.000 0.373 243 F C 0.154 175.947 175.800 -0.013 0.000 1.122 243 F CA -1.140 56.855 58.000 -0.008 0.000 1.082 243 F CB 0.252 39.256 39.000 0.007 0.000 1.399 243 F HN 0.484 nan 8.300 nan 0.000 0.509 244 A N 0.618 123.470 122.820 0.054 0.000 2.309 244 A HA 0.746 5.058 4.320 -0.014 0.000 0.298 244 A C 0.021 177.559 177.584 -0.077 0.000 1.165 244 A CA -0.251 51.750 52.037 -0.061 0.000 0.821 244 A CB -0.193 18.823 19.000 0.028 0.000 1.102 244 A HN 1.312 nan 8.150 nan 0.000 0.500 245 A N 1.530 124.259 122.820 -0.151 0.000 2.406 245 A HA 0.482 4.793 4.320 -0.014 0.000 0.243 245 A C 0.823 178.424 177.584 0.030 0.000 1.082 245 A CA 0.329 52.314 52.037 -0.086 0.000 0.786 245 A CB 0.120 19.057 19.000 -0.105 0.000 1.029 245 A HN 1.346 nan 8.150 nan 0.000 0.495 246 S N 0.285 116.027 115.700 0.071 0.000 2.955 246 S HA 0.178 4.640 4.470 -0.014 0.000 0.294 246 S C 0.745 175.412 174.600 0.111 0.000 1.198 246 S CA -0.487 57.770 58.200 0.095 0.000 1.008 246 S CB -0.601 62.658 63.200 0.099 0.000 1.279 246 S HN 0.581 nan 8.310 nan 0.000 0.508 247 K N 2.179 122.655 120.400 0.127 0.000 2.589 247 K HA -0.045 4.267 4.320 -0.014 0.000 0.192 247 K C 0.248 177.023 176.600 0.292 0.000 1.029 247 K CA 0.193 56.599 56.287 0.200 0.000 1.031 247 K CB -0.136 32.475 32.500 0.185 0.000 0.821 247 K HN 0.629 nan 8.250 nan 0.000 0.502 248 D N 0.177 120.711 120.400 0.222 0.000 2.417 248 D HA -0.000 4.631 4.640 -0.014 0.000 0.250 248 D C 0.630 176.998 176.300 0.114 0.000 1.166 248 D CA -0.069 54.042 54.000 0.186 0.000 0.881 248 D CB 1.047 41.917 40.800 0.116 0.000 1.164 248 D HN 0.132 nan 8.370 nan 0.000 0.467 249 A N 3.050 125.900 122.820 0.049 0.000 2.275 249 A HA 0.049 4.361 4.320 -0.014 0.000 0.212 249 A C 2.108 179.654 177.584 -0.064 0.000 1.201 249 A CA 0.049 52.080 52.037 -0.009 0.000 0.843 249 A CB -0.095 18.881 19.000 -0.040 0.000 0.873 249 A HN 0.552 nan 8.150 nan 0.000 0.492 250 S N 0.897 116.567 115.700 -0.051 0.000 2.370 250 S HA -0.251 4.210 4.470 -0.014 0.000 0.226 250 S C 2.218 176.777 174.600 -0.068 0.000 1.033 250 S CA 1.639 59.802 58.200 -0.063 0.000 1.011 250 S CB -0.403 62.772 63.200 -0.041 0.000 0.852 250 S HN 0.862 nan 8.310 nan 0.000 0.457 251 R N 1.783 122.254 120.500 -0.050 0.000 2.159 251 R HA -0.191 4.140 4.340 -0.014 0.000 0.252 251 R C 1.989 178.215 176.300 -0.123 0.000 1.144 251 R CA 1.923 57.980 56.100 -0.072 0.000 0.961 251 R CB -1.476 28.802 30.300 -0.037 0.000 0.877 251 R HN 0.348 nan 8.270 nan 0.000 0.444 252 L N 0.807 121.962 121.223 -0.114 0.000 2.171 252 L HA -0.274 4.057 4.340 -0.014 0.000 0.216 252 L C 2.776 179.587 176.870 -0.099 0.000 1.084 252 L CA 2.112 56.882 54.840 -0.117 0.000 0.771 252 L CB -0.743 41.151 42.059 -0.275 0.000 0.890 252 L HN 0.302 nan 8.230 nan 0.000 0.437 253 K N 0.833 121.169 120.400 -0.107 0.000 1.973 253 K HA -0.206 4.106 4.320 -0.014 0.000 0.210 253 K C 2.023 178.570 176.600 -0.089 0.000 1.045 253 K CA 1.821 58.058 56.287 -0.083 0.000 0.937 253 K CB -0.434 32.019 32.500 -0.078 0.000 0.721 253 K HN 0.254 nan 8.250 nan 0.000 0.438 254 E N 0.081 120.219 120.200 -0.103 0.000 2.097 254 E HA -0.279 4.063 4.350 -0.014 0.000 0.196 254 E C 1.990 178.495 176.600 -0.158 0.000 1.000 254 E CA 1.544 57.881 56.400 -0.105 0.000 0.804 254 E CB 0.009 29.653 29.700 -0.093 0.000 0.740 254 E HN 0.493 nan 8.360 nan 0.000 0.454 255 Q N -0.999 118.633 119.800 -0.279 0.000 1.969 255 Q HA -0.140 4.191 4.340 -0.014 0.000 0.198 255 Q C 1.179 176.885 176.000 -0.489 0.000 0.978 255 Q CA 1.640 57.125 55.803 -0.530 0.000 0.830 255 Q CB -0.007 28.119 28.738 -1.020 0.000 0.896 255 Q HN 0.427 nan 8.270 nan 0.000 0.431 256 Y N -1.151 119.155 120.300 0.009 0.000 2.584 256 Y HA 0.385 4.926 4.550 -0.014 0.000 0.254 256 Y C 0.768 176.665 175.900 -0.004 0.000 1.177 256 Y CA -0.119 57.995 58.100 0.023 0.000 1.216 256 Y CB 0.536 39.035 38.460 0.066 0.000 1.172 256 Y HN 0.177 nan 8.280 nan 0.000 0.529 257 G N 1.873 110.708 108.800 0.058 0.000 2.359 257 G HA2 -0.285 3.666 3.960 -0.014 0.000 0.298 257 G HA3 -0.285 3.666 3.960 -0.014 0.000 0.298 257 G C -0.395 174.519 174.900 0.023 0.000 1.030 257 G CA 0.153 45.268 45.100 0.024 0.000 1.149 257 G HN 0.422 nan 8.290 nan 0.000 0.512 258 I N 0.272 120.841 120.570 -0.001 0.000 2.436 258 I HA 0.252 4.414 4.170 -0.014 0.000 0.289 258 I C -0.638 175.429 176.117 -0.083 0.000 1.010 258 I CA -1.132 60.146 61.300 -0.036 0.000 1.098 258 I CB 1.708 39.676 38.000 -0.053 0.000 1.266 258 I HN -0.055 nan 8.210 nan 0.000 0.434 259 D N 6.453 126.798 120.400 -0.093 0.000 2.358 259 D HA 0.162 4.793 4.640 -0.014 0.000 0.258 259 D C -0.266 175.931 176.300 -0.172 0.000 1.223 259 D CA 0.125 54.054 54.000 -0.117 0.000 0.886 259 D CB 1.468 42.201 40.800 -0.111 0.000 1.120 259 D HN 0.047 nan 8.370 nan 0.000 0.482 260 V N 5.058 124.869 119.914 -0.171 0.000 2.328 260 V HA 0.265 4.376 4.120 -0.014 0.000 0.278 260 V C -1.889 174.086 176.094 -0.199 0.000 1.021 260 V CA -1.521 60.649 62.300 -0.216 0.000 0.838 260 V CB 1.085 32.806 31.823 -0.169 0.000 0.999 260 V HN 0.356 nan 8.190 nan 0.000 0.447 261 P HA 0.241 nan 4.420 nan 0.000 0.272 261 P C -0.471 176.849 177.300 0.032 0.000 1.223 261 P CA -0.464 62.550 63.100 -0.144 0.000 0.784 261 P CB 0.466 32.005 31.700 -0.269 0.000 0.923 262 D N 0.597 121.011 120.400 0.024 0.000 2.488 262 D HA 0.327 4.958 4.640 -0.014 0.000 0.238 262 D C 1.160 177.413 176.300 -0.078 0.000 1.138 262 D CA 1.748 55.747 54.000 -0.002 0.000 0.873 262 D CB -0.119 40.710 40.800 0.048 0.000 1.183 262 D HN 0.664 nan 8.370 nan 0.000 0.458 263 G N 1.301 109.933 108.800 -0.280 0.000 2.212 263 G HA2 -0.257 3.694 3.960 -0.014 0.000 0.255 263 G HA3 -0.257 3.694 3.960 -0.014 0.000 0.255 263 G C -0.386 173.842 174.900 -1.120 0.000 1.062 263 G CA -0.529 44.162 45.100 -0.682 0.000 0.815 263 G HN 0.344 nan 8.290 nan 0.000 0.497 264 F N -0.788 118.552 119.950 -1.017 0.000 2.540 264 F HA 0.812 5.331 4.527 -0.014 0.000 0.317 264 F C 0.141 175.389 175.800 -0.919 0.000 1.104 264 F CA -1.043 56.529 58.000 -0.713 0.000 0.913 264 F CB 1.584 40.349 39.000 -0.391 0.000 1.170 264 F HN 0.017 nan 8.300 nan 0.000 0.450 265 F N 0.453 120.424 119.950 0.034 0.000 2.640 265 F HA 0.594 5.113 4.527 -0.014 0.000 0.324 265 F C -0.100 175.866 175.800 0.277 0.000 1.077 265 F CA -1.393 56.687 58.000 0.133 0.000 0.965 265 F CB 0.597 39.666 39.000 0.114 0.000 1.351 265 F HN 0.269 nan 8.300 nan 0.000 0.487 266 C N 1.253 120.815 119.300 0.436 0.000 2.656 266 C HA 0.326 4.777 4.460 -0.014 0.000 0.391 266 C C 0.377 175.563 174.990 0.327 0.000 1.300 266 C CA -0.750 58.480 59.018 0.354 0.000 2.302 266 C CB -0.337 27.571 27.740 0.279 0.000 2.655 266 C HN 0.784 nan 8.230 nan 0.000 0.656 267 E N 1.213 121.518 120.200 0.174 0.000 2.312 267 E HA 0.385 4.727 4.350 -0.014 0.000 0.259 267 E C -0.235 176.329 176.600 -0.061 0.000 1.122 267 E CA -0.773 55.588 56.400 -0.065 0.000 0.922 267 E CB 0.714 30.351 29.700 -0.105 0.000 1.109 267 E HN 0.639 nan 8.360 nan 0.000 0.442 268 R N 0.915 121.329 120.500 -0.143 0.000 2.441 268 R HA 0.220 4.552 4.340 -0.014 0.000 0.284 268 R C -0.588 175.664 176.300 -0.081 0.000 1.070 268 R CA -0.435 55.610 56.100 -0.091 0.000 1.047 268 R CB 0.803 31.044 30.300 -0.097 0.000 1.016 268 R HN 0.536 nan 8.270 nan 0.000 0.477 269 R N 3.256 123.715 120.500 -0.068 0.000 2.371 269 R HA 0.189 4.520 4.340 -0.014 0.000 0.312 269 R C -0.594 175.705 176.300 -0.001 0.000 0.980 269 R CA -0.740 55.327 56.100 -0.056 0.000 0.867 269 R CB 0.893 31.120 30.300 -0.122 0.000 1.163 269 R HN 0.739 nan 8.270 nan 0.000 0.492 270 R N 2.146 122.658 120.500 0.020 0.000 2.490 270 R HA 0.263 4.595 4.340 -0.014 0.000 0.278 270 R C -0.450 175.920 176.300 0.118 0.000 1.069 270 R CA -0.270 55.851 56.100 0.035 0.000 1.080 270 R CB 1.081 31.377 30.300 -0.005 0.000 1.030 270 R HN 0.570 nan 8.270 nan 0.000 0.491 271 T N -0.241 114.365 114.554 0.087 0.000 2.927 271 T HA 0.774 5.115 4.350 -0.014 0.000 0.281 271 T C -0.426 174.217 174.700 -0.094 0.000 0.998 271 T CA -0.455 61.653 62.100 0.014 0.000 1.019 271 T CB 1.716 70.576 68.868 -0.013 0.000 1.061 271 T HN 0.843 nan 8.240 nan 0.000 0.518 272 A N 1.588 124.299 122.820 -0.181 0.000 2.594 272 A HA 0.632 4.944 4.320 -0.014 0.000 0.296 272 A C -0.927 176.567 177.584 -0.151 0.000 1.061 272 A CA -0.992 50.959 52.037 -0.143 0.000 0.689 272 A CB 1.324 20.276 19.000 -0.079 0.000 1.280 272 A HN 0.766 nan 8.150 nan 0.000 0.406 273 M N 1.597 121.100 119.600 -0.162 0.000 2.200 273 M HA 0.446 4.918 4.480 -0.014 0.000 0.355 273 M C 0.866 177.228 176.300 0.103 0.000 1.283 273 M CA 0.235 55.473 55.300 -0.102 0.000 1.124 273 M CB 1.042 33.345 32.600 -0.495 0.000 1.625 273 M HN 0.858 nan 8.290 nan 0.000 0.463 274 G N 2.642 111.583 108.800 0.235 0.000 2.404 274 G HA2 0.538 4.490 3.960 -0.014 0.000 0.316 274 G HA3 0.538 4.490 3.960 -0.014 0.000 0.316 274 G C 0.167 175.223 174.900 0.261 0.000 1.074 274 G CA -0.702 44.539 45.100 0.234 0.000 0.989 274 G HN 0.937 nan 8.290 nan 0.000 0.430 275 G N 2.669 111.609 108.800 0.233 0.000 2.432 275 G HA2 0.484 4.436 3.960 -0.014 0.000 0.257 275 G HA3 0.484 4.436 3.960 -0.014 0.000 0.257 275 G C -2.573 172.285 174.900 -0.070 0.000 1.238 275 G CA -1.102 44.052 45.100 0.091 0.000 0.838 275 G HN 0.374 nan 8.290 nan 0.000 0.547 276 P HA 0.025 nan 4.420 nan 0.000 0.264 276 P C 0.420 177.709 177.300 -0.018 0.000 1.236 276 P CA -0.409 62.595 63.100 -0.161 0.000 0.811 276 P CB 0.433 32.007 31.700 -0.211 0.000 0.840 277 F N 5.032 124.895 119.950 -0.146 0.000 2.120 277 F HA -0.280 4.238 4.527 -0.015 0.000 0.300 277 F C 2.182 177.948 175.800 -0.057 0.000 1.095 277 F CA 1.910 59.860 58.000 -0.084 0.000 1.249 277 F CB -0.957 38.003 39.000 -0.068 0.000 0.995 277 F HN 0.339 nan 8.300 nan 0.000 0.480 278 A N -0.033 122.758 122.820 -0.048 0.000 1.940 278 A HA -0.250 4.062 4.320 -0.014 0.000 0.221 278 A C 2.154 179.645 177.584 -0.154 0.000 1.190 278 A CA 2.195 54.158 52.037 -0.123 0.000 0.647 278 A CB -1.249 17.730 19.000 -0.034 0.000 0.821 278 A HN 0.465 nan 8.150 nan 0.000 0.457 279 L N -0.313 120.844 121.223 -0.110 0.000 2.071 279 L HA 0.029 4.361 4.340 -0.014 0.000 0.201 279 L C 1.806 178.609 176.870 -0.111 0.000 1.076 279 L CA 2.126 56.907 54.840 -0.100 0.000 0.755 279 L CB -1.144 40.850 42.059 -0.109 0.000 0.915 279 L HN 0.311 nan 8.230 nan 0.000 0.445 280 N N 0.257 118.907 118.700 -0.083 0.000 2.242 280 N HA -0.210 4.522 4.740 -0.014 0.000 0.191 280 N C 1.684 177.166 175.510 -0.048 0.000 1.005 280 N CA 1.425 54.468 53.050 -0.012 0.000 0.877 280 N CB -0.255 38.306 38.487 0.124 0.000 0.983 280 N HN 0.584 nan 8.380 nan 0.000 0.439 281 A N 1.068 123.728 122.820 -0.267 0.000 1.841 281 A HA -0.017 4.294 4.320 -0.014 0.000 0.214 281 A C -0.212 177.293 177.584 -0.132 0.000 1.195 281 A CA 1.125 52.960 52.037 -0.338 0.000 0.611 281 A CB -1.488 17.081 19.000 -0.719 0.000 0.835 281 A HN 0.194 nan 8.150 nan 0.000 0.443 282 P HA -0.127 nan 4.420 nan 0.000 0.220 282 P C 1.173 178.767 177.300 0.490 0.000 1.144 282 P CA 0.953 64.112 63.100 0.099 0.000 0.800 282 P CB -0.057 31.773 31.700 0.216 0.000 0.772 283 I N -2.145 118.594 120.570 0.281 0.000 2.339 283 I HA -0.153 4.009 4.170 -0.014 0.000 0.245 283 I C 2.226 178.589 176.117 0.410 0.000 1.096 283 I CA 1.236 62.775 61.300 0.397 0.000 1.408 283 I CB -0.504 37.594 38.000 0.163 0.000 1.092 283 I HN -0.107 nan 8.210 nan 0.000 0.423 284 M N 0.732 120.479 119.600 0.244 0.000 2.149 284 M HA -0.193 4.279 4.480 -0.014 0.000 0.261 284 M C 2.522 178.962 176.300 0.233 0.000 1.064 284 M CA 1.939 57.367 55.300 0.213 0.000 1.102 284 M CB -0.662 32.036 32.600 0.164 0.000 1.369 284 M HN 0.284 nan 8.290 nan 0.000 0.408 285 A N -0.202 122.766 122.820 0.247 0.000 2.042 285 A HA -0.117 4.194 4.320 -0.014 0.000 0.222 285 A C 2.215 179.993 177.584 0.324 0.000 1.167 285 A CA 1.969 54.171 52.037 0.275 0.000 0.649 285 A CB -0.758 18.419 19.000 0.296 0.000 0.809 285 A HN 0.365 nan 8.150 nan 0.000 0.457 286 V N -1.588 118.562 119.914 0.392 0.000 2.922 286 V HA 0.063 4.175 4.120 -0.014 0.000 0.242 286 V C 2.845 179.046 176.094 0.178 0.000 1.094 286 V CA 1.009 63.471 62.300 0.270 0.000 1.106 286 V CB -0.639 31.386 31.823 0.336 0.000 0.799 286 V HN 0.567 nan 8.190 nan 0.000 0.474 287 A N 0.185 123.158 122.820 0.256 0.000 1.892 287 A HA -0.348 3.964 4.320 -0.014 0.000 0.218 287 A C 2.139 179.749 177.584 0.044 0.000 1.188 287 A CA 2.625 54.754 52.037 0.153 0.000 0.631 287 A CB -0.601 18.524 19.000 0.208 0.000 0.822 287 A HN 0.518 nan 8.150 nan 0.000 0.447 288 Q N 0.129 119.978 119.800 0.081 0.000 2.050 288 Q HA -0.081 4.251 4.340 -0.014 0.000 0.202 288 Q C -0.652 175.351 176.000 0.005 0.000 0.980 288 Q CA 2.373 58.208 55.803 0.054 0.000 0.840 288 Q CB -1.314 27.474 28.738 0.083 0.000 0.898 288 Q HN 0.458 nan 8.270 nan 0.000 0.424 289 P HA -0.141 nan 4.420 nan 0.000 0.215 289 P C 1.308 178.547 177.300 -0.102 0.000 1.153 289 P CA 1.161 64.242 63.100 -0.032 0.000 0.853 289 P CB -0.025 31.666 31.700 -0.015 0.000 0.788 290 V N -0.312 119.493 119.914 -0.181 0.000 2.255 290 V HA -0.288 3.824 4.120 -0.014 0.000 0.247 290 V C 2.546 178.467 176.094 -0.288 0.000 1.051 290 V CA 1.887 63.992 62.300 -0.325 0.000 1.018 290 V CB -0.863 30.612 31.823 -0.580 0.000 0.641 290 V HN 0.025 nan 8.190 nan 0.000 0.445 291 R N 0.053 120.400 120.500 -0.255 0.000 2.133 291 R HA -0.239 4.092 4.340 -0.014 0.000 0.245 291 R C 2.237 178.407 176.300 -0.216 0.000 1.137 291 R CA 2.249 58.156 56.100 -0.321 0.000 0.947 291 R CB -0.460 29.800 30.300 -0.066 0.000 0.865 291 R HN 0.566 nan 8.270 nan 0.000 0.437 292 N N 0.528 119.195 118.700 -0.055 0.000 2.137 292 N HA -0.216 4.516 4.740 -0.014 0.000 0.190 292 N C 1.534 177.019 175.510 -0.041 0.000 1.017 292 N CA 1.301 54.347 53.050 -0.006 0.000 0.859 292 N CB -0.191 38.286 38.487 -0.016 0.000 1.002 292 N HN 0.313 nan 8.380 nan 0.000 0.428 293 K N 1.089 121.435 120.400 -0.089 0.000 1.965 293 K HA -0.101 4.210 4.320 -0.014 0.000 0.214 293 K C 2.133 178.701 176.600 -0.054 0.000 1.042 293 K CA 1.351 57.597 56.287 -0.068 0.000 0.950 293 K CB -0.264 32.204 32.500 -0.053 0.000 0.733 293 K HN 0.088 nan 8.250 nan 0.000 0.441 294 I N -0.574 119.946 120.570 -0.085 0.000 2.236 294 I HA -0.271 3.891 4.170 -0.014 0.000 0.249 294 I C 1.745 177.892 176.117 0.051 0.000 1.102 294 I CA 1.576 62.886 61.300 0.017 0.000 1.365 294 I CB -0.954 36.843 38.000 -0.339 0.000 1.051 294 I HN 0.194 nan 8.210 nan 0.000 0.420 295 Y N 1.568 121.853 120.300 -0.024 0.000 2.509 295 Y HA -0.034 4.507 4.550 -0.014 0.000 0.293 295 Y C 2.717 178.581 175.900 -0.060 0.000 1.133 295 Y CA 0.444 58.496 58.100 -0.079 0.000 1.283 295 Y CB -0.875 37.420 38.460 -0.274 0.000 1.001 295 Y HN 0.543 nan 8.280 nan 0.000 0.555 296 S N -0.605 115.145 115.700 0.082 0.000 2.500 296 S HA -0.027 4.435 4.470 -0.014 0.000 0.174 296 S C 2.007 176.594 174.600 -0.022 0.000 0.857 296 S CA 0.316 58.537 58.200 0.035 0.000 0.905 296 S CB -0.569 62.626 63.200 -0.008 0.000 0.819 296 S HN 0.181 nan 8.310 nan 0.000 0.557 297 K N 0.406 120.715 120.400 -0.151 0.000 2.077 297 K HA -0.179 4.132 4.320 -0.014 0.000 0.213 297 K C 0.543 176.884 176.600 -0.432 0.000 1.051 297 K CA 1.723 57.790 56.287 -0.367 0.000 0.929 297 K CB -0.360 31.755 32.500 -0.643 0.000 0.715 297 K HN 0.590 nan 8.250 nan 0.000 0.451 298 Y N -0.286 120.071 120.300 0.094 0.000 2.811 298 Y HA 0.317 4.859 4.550 -0.014 0.000 0.330 298 Y C 1.199 177.112 175.900 0.022 0.000 1.081 298 Y CA -0.202 57.931 58.100 0.055 0.000 1.408 298 Y CB -0.007 38.491 38.460 0.064 0.000 1.235 298 Y HN 0.113 nan 8.280 nan 0.000 0.529 299 A N -0.722 122.186 122.820 0.147 0.000 2.076 299 A HA -0.262 4.049 4.320 -0.014 0.000 0.220 299 A C 1.904 179.520 177.584 0.052 0.000 1.160 299 A CA 1.348 53.478 52.037 0.154 0.000 0.653 299 A CB -0.825 18.276 19.000 0.168 0.000 0.801 299 A HN 0.677 nan 8.150 nan 0.000 0.455 300 Y N 1.520 121.800 120.300 -0.033 0.000 2.145 300 Y HA -0.235 4.307 4.550 -0.014 0.000 0.286 300 Y C 2.760 178.631 175.900 -0.048 0.000 1.145 300 Y CA 2.585 60.659 58.100 -0.043 0.000 1.148 300 Y CB -0.284 38.129 38.460 -0.078 0.000 0.981 300 Y HN 0.403 nan 8.280 nan 0.000 0.507 301 T N -3.200 111.240 114.554 -0.189 0.000 3.065 301 T HA 0.072 4.414 4.350 -0.014 0.000 0.252 301 T C 1.306 175.819 174.700 -0.310 0.000 1.099 301 T CA 0.534 62.410 62.100 -0.373 0.000 1.063 301 T CB -0.687 67.777 68.868 -0.674 0.000 0.948 301 T HN 0.367 nan 8.240 nan 0.000 0.506 302 F N -0.101 119.827 119.950 -0.036 0.000 2.637 302 F HA 0.357 4.876 4.527 -0.013 0.000 0.284 302 F C 1.296 176.981 175.800 -0.191 0.000 1.105 302 F CA -0.812 57.169 58.000 -0.032 0.000 1.356 302 F CB 0.401 39.361 39.000 -0.067 0.000 1.096 302 F HN 0.249 nan 8.300 nan 0.000 0.616 303 H N 1.864 120.759 119.070 -0.291 0.000 2.641 303 H HA 0.233 4.781 4.556 -0.014 0.000 0.295 303 H C -0.960 173.999 175.328 -0.615 0.000 1.070 303 H CA -0.509 55.325 56.048 -0.356 0.000 1.257 303 H CB 0.051 29.759 29.762 -0.090 0.000 1.393 303 H HN 0.068 nan 8.280 nan 0.000 0.464 304 H N 4.155 123.253 119.070 0.046 0.000 2.658 304 H HA 0.095 4.642 4.556 -0.014 0.000 0.337 304 H C 0.592 175.847 175.328 -0.122 0.000 1.009 304 H CA -0.403 55.595 56.048 -0.084 0.000 1.231 304 H CB 2.057 31.852 29.762 0.054 0.000 1.508 304 H HN 0.749 nan 8.280 nan 0.000 0.517 305 T N -0.215 114.302 114.554 -0.061 0.000 3.234 305 T HA 0.052 4.394 4.350 -0.014 0.000 0.235 305 T C 0.942 175.723 174.700 0.135 0.000 0.971 305 T CA 0.507 62.664 62.100 0.095 0.000 1.292 305 T CB -0.181 68.700 68.868 0.022 0.000 0.994 305 T HN 0.533 nan 8.240 nan 0.000 0.412 306 T N 0.615 115.189 114.554 0.033 0.000 2.944 306 T HA 0.473 4.815 4.350 -0.014 0.000 0.284 306 T C 1.146 175.824 174.700 -0.037 0.000 1.010 306 T CA -0.879 61.231 62.100 0.016 0.000 1.025 306 T CB 1.854 70.720 68.868 -0.004 0.000 1.079 306 T HN 0.563 nan 8.240 nan 0.000 0.516 307 R N 0.217 120.690 120.500 -0.044 0.000 2.237 307 R HA 0.035 4.367 4.340 -0.014 0.000 0.219 307 R C 1.257 177.589 176.300 0.052 0.000 1.080 307 R CA 0.564 56.631 56.100 -0.056 0.000 0.995 307 R CB -0.417 29.868 30.300 -0.025 0.000 0.875 307 R HN 0.387 nan 8.270 nan 0.000 0.462 308 L N 1.325 122.566 121.223 0.030 0.000 2.249 308 L HA 0.016 4.347 4.340 -0.014 0.000 0.207 308 L C 2.172 179.059 176.870 0.029 0.000 1.090 308 L CA 1.167 56.032 54.840 0.041 0.000 0.802 308 L CB -1.657 40.409 42.059 0.012 0.000 0.947 308 L HN 0.419 nan 8.230 nan 0.000 0.453 309 N N 0.875 119.577 118.700 0.002 0.000 2.120 309 N HA -0.218 4.514 4.740 -0.014 0.000 0.188 309 N C 1.650 177.158 175.510 -0.005 0.000 1.024 309 N CA 1.277 54.317 53.050 -0.017 0.000 0.852 309 N CB 0.314 38.774 38.487 -0.046 0.000 1.003 309 N HN 0.381 nan 8.380 nan 0.000 0.424 310 K N 0.832 121.244 120.400 0.021 0.000 1.984 310 K HA -0.169 4.143 4.320 -0.014 0.000 0.209 310 K C 1.967 178.651 176.600 0.140 0.000 1.046 310 K CA 1.273 57.590 56.287 0.049 0.000 0.934 310 K CB -0.329 32.110 32.500 -0.102 0.000 0.717 310 K HN 0.209 nan 8.250 nan 0.000 0.438 311 E N 1.477 121.872 120.200 0.325 0.000 2.172 311 E HA -0.349 3.993 4.350 -0.014 0.000 0.213 311 E C 1.856 178.413 176.600 -0.073 0.000 1.051 311 E CA 2.067 58.523 56.400 0.093 0.000 0.860 311 E CB -0.016 29.735 29.700 0.085 0.000 0.755 311 E HN 0.245 nan 8.360 nan 0.000 0.462 312 E N 0.204 120.381 120.200 -0.038 0.000 2.045 312 E HA -0.275 4.066 4.350 -0.014 0.000 0.212 312 E C 1.978 178.515 176.600 -0.106 0.000 1.039 312 E CA 2.526 58.895 56.400 -0.052 0.000 0.860 312 E CB -0.005 29.681 29.700 -0.023 0.000 0.776 312 E HN 0.253 nan 8.360 nan 0.000 0.467 313 K N -0.385 119.925 120.400 -0.151 0.000 2.044 313 K HA -0.163 4.149 4.320 -0.014 0.000 0.210 313 K C 2.135 178.360 176.600 -0.625 0.000 1.049 313 K CA 1.748 57.897 56.287 -0.230 0.000 0.927 313 K CB -0.280 32.004 32.500 -0.360 0.000 0.713 313 K HN 0.095 nan 8.250 nan 0.000 0.443 314 V N 1.940 121.362 119.914 -0.820 0.000 2.809 314 V HA -0.146 3.966 4.120 -0.014 0.000 0.256 314 V C 2.076 177.814 176.094 -0.593 0.000 1.080 314 V CA 1.267 62.848 62.300 -1.197 0.000 1.102 314 V CB -0.447 30.844 31.823 -0.886 0.000 0.705 314 V HN 0.216 nan 8.190 nan 0.000 0.475 315 K N 0.885 121.081 120.400 -0.339 0.000 2.103 315 K HA -0.162 4.150 4.320 -0.014 0.000 0.207 315 K C 1.808 178.382 176.600 -0.045 0.000 1.048 315 K CA 1.399 57.596 56.287 -0.150 0.000 0.930 315 K CB -0.214 32.230 32.500 -0.094 0.000 0.716 315 K HN 0.645 nan 8.250 nan 0.000 0.444 316 E N -0.774 119.406 120.200 -0.034 0.000 2.489 316 E HA -0.054 4.288 4.350 -0.014 0.000 0.193 316 E C 0.056 176.846 176.600 0.317 0.000 1.057 316 E CA -0.154 56.321 56.400 0.125 0.000 0.866 316 E CB 0.098 29.888 29.700 0.151 0.000 0.916 316 E HN 0.136 nan 8.360 nan 0.000 0.500 317 W N 0.681 122.034 121.300 0.088 0.000 2.253 317 W HA 0.185 4.836 4.660 -0.014 0.000 0.348 317 W C 1.284 177.876 176.519 0.123 0.000 1.229 317 W CA -1.186 56.224 57.345 0.109 0.000 1.335 317 W CB 0.693 30.215 29.460 0.104 0.000 1.165 317 W HN -0.193 nan 8.180 nan 0.000 0.631 318 S N 0.320 116.247 115.700 0.378 0.000 2.512 318 S HA 0.183 4.645 4.470 -0.014 0.000 0.216 318 S C -0.254 174.505 174.600 0.265 0.000 1.006 318 S CA -0.012 58.353 58.200 0.275 0.000 0.915 318 S CB 0.290 63.628 63.200 0.229 0.000 0.824 318 S HN 0.228 nan 8.310 nan 0.000 0.497 319 L N 0.709 122.119 121.223 0.311 0.000 2.513 319 L HA 0.647 4.978 4.340 -0.014 0.000 0.261 319 L C -1.888 175.220 176.870 0.396 0.000 0.945 319 L CA -0.633 54.347 54.840 0.233 0.000 0.848 319 L CB 1.719 43.761 42.059 -0.029 0.000 1.334 319 L HN 0.103 nan 8.230 nan 0.000 0.407 320 C N 5.286 124.805 119.300 0.365 0.000 2.432 320 C HA 0.846 5.298 4.460 -0.014 0.000 0.334 320 C C -1.030 174.068 174.990 0.180 0.000 1.155 320 C CA -0.412 58.876 59.018 0.451 0.000 1.335 320 C CB 0.570 28.658 27.740 0.580 0.000 1.964 320 C HN 0.621 nan 8.230 nan 0.000 0.444 321 V N 5.988 125.948 119.914 0.077 0.000 2.398 321 V HA 0.685 4.797 4.120 -0.014 0.000 0.286 321 V C 0.690 176.738 176.094 -0.077 0.000 1.026 321 V CA -0.195 61.979 62.300 -0.209 0.000 0.868 321 V CB 1.518 33.182 31.823 -0.266 0.000 0.982 321 V HN 1.065 nan 8.190 nan 0.000 0.443 322 A N 3.951 126.741 122.820 -0.050 0.000 2.316 322 A HA 0.636 4.947 4.320 -0.014 0.000 0.311 322 A C 0.619 178.228 177.584 0.043 0.000 1.339 322 A CA -0.228 51.836 52.037 0.045 0.000 0.960 322 A CB 0.063 19.145 19.000 0.137 0.000 1.152 322 A HN 0.935 nan 8.150 nan 0.000 0.547 323 T N -0.426 114.129 114.554 0.001 0.000 2.824 323 T HA 0.621 4.963 4.350 -0.014 0.000 0.277 323 T C -0.604 174.170 174.700 0.123 0.000 0.975 323 T CA -0.395 61.739 62.100 0.058 0.000 0.966 323 T CB 1.403 70.267 68.868 -0.006 0.000 1.054 323 T HN 0.531 nan 8.240 nan 0.000 0.533 324 D N -0.444 120.059 120.400 0.173 0.000 2.931 324 D HA 0.438 5.070 4.640 -0.014 0.000 0.215 324 D C -1.478 174.929 176.300 0.178 0.000 1.297 324 D CA -0.521 53.578 54.000 0.165 0.000 0.892 324 D CB 1.766 42.622 40.800 0.094 0.000 1.642 324 D HN 0.565 nan 8.370 nan 0.000 0.560 325 V N 2.217 122.251 119.914 0.201 0.000 2.483 325 V HA 0.713 4.824 4.120 -0.014 0.000 0.295 325 V C 0.143 176.338 176.094 0.168 0.000 1.035 325 V CA -0.694 61.715 62.300 0.182 0.000 0.896 325 V CB 1.663 33.630 31.823 0.240 0.000 0.986 325 V HN 0.572 nan 8.190 nan 0.000 0.447 326 S N 2.025 117.815 115.700 0.150 0.000 2.501 326 S HA 0.506 4.968 4.470 -0.014 0.000 0.301 326 S C -0.091 174.667 174.600 0.264 0.000 1.096 326 S CA -0.250 58.052 58.200 0.171 0.000 1.063 326 S CB 0.751 64.030 63.200 0.132 0.000 1.042 326 S HN 0.996 nan 8.310 nan 0.000 0.494 327 D N 2.020 122.558 120.400 0.231 0.000 2.705 327 D HA -0.202 4.430 4.640 -0.014 0.000 0.240 327 D C 0.805 177.313 176.300 0.346 0.000 1.137 327 D CA 1.040 55.182 54.000 0.237 0.000 0.677 327 D CB -1.306 39.613 40.800 0.198 0.000 1.049 327 D HN 0.790 nan 8.370 nan 0.000 0.427 328 H N 0.250 119.450 119.070 0.217 0.000 2.319 328 H HA -0.160 4.387 4.556 -0.014 0.000 0.297 328 H C 1.179 176.643 175.328 0.226 0.000 1.097 328 H CA 2.404 58.590 56.048 0.231 0.000 1.285 328 H CB 0.239 30.096 29.762 0.159 0.000 1.368 328 H HN 0.417 nan 8.280 nan 0.000 0.495 329 D N -0.489 120.050 120.400 0.231 0.000 2.097 329 D HA -0.130 4.501 4.640 -0.014 0.000 0.195 329 D C 2.316 178.627 176.300 0.017 0.000 0.989 329 D CA 2.585 56.646 54.000 0.102 0.000 0.827 329 D CB -0.384 40.446 40.800 0.051 0.000 0.966 329 D HN 0.591 nan 8.370 nan 0.000 0.456 330 T N -2.184 112.357 114.554 -0.022 0.000 2.995 330 T HA -0.050 4.292 4.350 -0.014 0.000 0.269 330 T C 1.718 176.331 174.700 -0.145 0.000 1.091 330 T CA 0.499 62.529 62.100 -0.118 0.000 1.128 330 T CB -0.477 68.266 68.868 -0.208 0.000 0.891 330 T HN 0.113 nan 8.240 nan 0.000 0.492 331 F N -0.429 119.519 119.950 -0.004 0.000 2.473 331 F HA 0.331 4.850 4.527 -0.014 0.000 0.294 331 F C 0.938 176.708 175.800 -0.050 0.000 1.103 331 F CA -1.404 56.585 58.000 -0.019 0.000 1.442 331 F CB -0.066 38.917 39.000 -0.027 0.000 1.097 331 F HN 0.128 nan 8.300 nan 0.000 0.547 332 W N 5.585 126.805 121.300 -0.135 0.000 2.550 332 W HA -0.048 4.604 4.660 -0.014 0.000 0.339 332 W C -2.020 174.348 176.519 -0.252 0.000 1.174 332 W CA -1.622 55.564 57.345 -0.265 0.000 1.243 332 W CB -0.109 29.184 29.460 -0.278 0.000 1.172 332 W HN -0.148 nan 8.180 nan 0.000 0.566 333 P HA 0.008 nan 4.420 nan 0.000 0.267 333 P C 0.658 177.419 177.300 -0.898 0.000 1.209 333 P CA 0.726 63.258 63.100 -0.946 0.000 0.763 333 P CB 1.100 31.713 31.700 -1.812 0.000 0.816 334 G N 4.245 112.824 108.800 -0.368 0.000 2.422 334 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.218 334 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.218 334 G C 1.289 176.082 174.900 -0.177 0.000 1.146 334 G CA 0.066 45.087 45.100 -0.131 0.000 0.769 334 G HN 0.713 nan 8.290 nan 0.000 0.547 335 W N 0.301 121.501 121.300 -0.166 0.000 2.392 335 W HA 0.067 4.719 4.660 -0.014 0.000 0.279 335 W C 1.640 177.987 176.519 -0.287 0.000 1.225 335 W CA 0.380 57.617 57.345 -0.181 0.000 1.233 335 W CB -0.992 28.370 29.460 -0.163 0.000 1.122 335 W HN 0.163 nan 8.180 nan 0.000 0.561 336 L N 2.304 122.901 121.223 -1.043 0.000 2.141 336 L HA -0.107 4.224 4.340 -0.014 0.000 0.209 336 L C 2.980 179.616 176.870 -0.390 0.000 1.094 336 L CA 1.961 56.228 54.840 -0.955 0.000 0.763 336 L CB -0.973 40.116 42.059 -1.617 0.000 0.908 336 L HN -0.009 nan 8.230 nan 0.000 0.437 337 R N -0.402 119.951 120.500 -0.245 0.000 2.070 337 R HA -0.164 4.168 4.340 -0.014 0.000 0.232 337 R C 1.826 178.186 176.300 0.099 0.000 1.138 337 R CA 2.056 58.248 56.100 0.154 0.000 0.936 337 R CB -0.607 29.846 30.300 0.255 0.000 0.839 337 R HN 0.437 nan 8.270 nan 0.000 0.429 338 D N 1.180 121.620 120.400 0.067 0.000 2.144 338 D HA -0.205 4.426 4.640 -0.014 0.000 0.199 338 D C 2.050 178.381 176.300 0.050 0.000 0.984 338 D CA 1.206 55.251 54.000 0.074 0.000 0.834 338 D CB -0.189 40.664 40.800 0.087 0.000 0.955 338 D HN 0.307 nan 8.370 nan 0.000 0.465 339 L N 1.001 122.254 121.223 0.050 0.000 1.970 339 L HA -0.206 4.126 4.340 -0.014 0.000 0.212 339 L C 2.523 179.385 176.870 -0.013 0.000 1.071 339 L CA 1.223 56.083 54.840 0.035 0.000 0.751 339 L CB -0.255 41.833 42.059 0.048 0.000 0.889 339 L HN -0.042 nan 8.230 nan 0.000 0.432 340 I N -0.707 119.839 120.570 -0.039 0.000 2.151 340 I HA -0.426 3.735 4.170 -0.014 0.000 0.243 340 I C 2.685 178.693 176.117 -0.181 0.000 1.080 340 I CA 1.689 62.923 61.300 -0.110 0.000 1.339 340 I CB -0.489 37.462 38.000 -0.080 0.000 1.039 340 I HN 0.493 nan 8.210 nan 0.000 0.409 341 C N 0.369 119.614 119.300 -0.091 0.000 2.413 341 C HA -0.212 4.240 4.460 -0.014 0.000 0.276 341 C C 2.599 177.540 174.990 -0.081 0.000 1.236 341 C CA 1.273 60.237 59.018 -0.091 0.000 1.735 341 C CB -1.057 26.700 27.740 0.029 0.000 2.031 341 C HN 0.577 nan 8.230 nan 0.000 0.474 342 D N 0.639 121.016 120.400 -0.037 0.000 2.092 342 D HA -0.180 4.452 4.640 -0.014 0.000 0.193 342 D C 2.070 178.344 176.300 -0.044 0.000 0.994 342 D CA 1.814 55.802 54.000 -0.021 0.000 0.828 342 D CB -0.275 40.526 40.800 0.001 0.000 0.963 342 D HN 0.391 nan 8.370 nan 0.000 0.450 343 E N -0.115 120.046 120.200 -0.066 0.000 2.058 343 E HA -0.114 4.228 4.350 -0.014 0.000 0.194 343 E C 2.298 178.826 176.600 -0.119 0.000 0.997 343 E CA 0.860 57.217 56.400 -0.072 0.000 0.801 343 E CB -0.521 29.137 29.700 -0.070 0.000 0.746 343 E HN 0.402 nan 8.360 nan 0.000 0.450 344 L N -0.265 120.812 121.223 -0.242 0.000 2.043 344 L HA -0.229 4.103 4.340 -0.014 0.000 0.212 344 L C 2.458 179.259 176.870 -0.115 0.000 1.075 344 L CA 0.991 55.614 54.840 -0.361 0.000 0.752 344 L CB -0.416 41.272 42.059 -0.617 0.000 0.891 344 L HN 0.197 nan 8.230 nan 0.000 0.432 345 L N -0.597 120.589 121.223 -0.061 0.000 2.017 345 L HA -0.214 4.118 4.340 -0.014 0.000 0.208 345 L C 2.419 179.302 176.870 0.021 0.000 1.073 345 L CA 1.197 56.042 54.840 0.007 0.000 0.745 345 L CB -0.724 41.340 42.059 0.009 0.000 0.894 345 L HN 0.306 nan 8.230 nan 0.000 0.432 346 N N 0.107 118.810 118.700 0.005 0.000 2.036 346 N HA -0.228 4.503 4.740 -0.014 0.000 0.195 346 N C 1.853 177.381 175.510 0.031 0.000 1.037 346 N CA 1.724 54.783 53.050 0.015 0.000 0.855 346 N CB -0.444 38.048 38.487 0.008 0.000 1.033 346 N HN 0.331 nan 8.380 nan 0.000 0.423 347 M N -0.435 119.189 119.600 0.040 0.000 2.331 347 M HA -0.098 4.374 4.480 -0.014 0.000 0.260 347 M C 1.009 177.367 176.300 0.097 0.000 1.072 347 M CA 1.480 56.831 55.300 0.084 0.000 1.065 347 M CB -0.272 32.407 32.600 0.132 0.000 1.392 347 M HN 0.419 nan 8.290 nan 0.000 0.427 348 G N -0.819 108.035 108.800 0.090 0.000 2.138 348 G HA2 -0.233 3.718 3.960 -0.014 0.000 0.193 348 G HA3 -0.233 3.718 3.960 -0.014 0.000 0.193 348 G C -0.347 174.550 174.900 -0.005 0.000 0.998 348 G CA -0.775 44.346 45.100 0.034 0.000 0.668 348 G HN 0.450 nan 8.290 nan 0.000 0.516 349 Y N 1.260 121.478 120.300 -0.137 0.000 2.442 349 Y HA 0.435 4.976 4.550 -0.015 0.000 0.330 349 Y C 1.349 177.118 175.900 -0.219 0.000 1.129 349 Y CA 0.179 58.146 58.100 -0.222 0.000 1.365 349 Y CB 1.012 39.320 38.460 -0.252 0.000 1.233 349 Y HN 0.530 nan 8.280 nan 0.000 0.529 350 A N 7.079 129.751 122.820 -0.248 0.000 2.580 350 A HA -0.017 4.295 4.320 -0.014 0.000 0.244 350 A C -1.639 175.732 177.584 -0.355 0.000 1.045 350 A CA -0.988 50.864 52.037 -0.310 0.000 0.761 350 A CB -0.195 18.502 19.000 -0.506 0.000 0.962 350 A HN 0.670 nan 8.150 nan 0.000 0.512 351 P HA -0.234 nan 4.420 nan 0.000 0.214 351 P C 1.700 179.012 177.300 0.021 0.000 1.169 351 P CA 2.230 65.332 63.100 0.003 0.000 0.908 351 P CB -0.266 31.494 31.700 0.100 0.000 0.791 352 W N -1.340 120.044 121.300 0.140 0.000 2.305 352 W HA -0.211 4.443 4.660 -0.010 0.000 0.308 352 W C 2.081 178.712 176.519 0.188 0.000 1.226 352 W CA 0.760 58.180 57.345 0.126 0.000 1.253 352 W CB -2.109 27.409 29.460 0.096 0.000 1.146 352 W HN 0.105 nan 8.180 nan 0.000 0.507 353 W N 2.148 123.025 121.300 -0.705 0.000 2.379 353 W HA -0.151 4.501 4.660 -0.014 0.000 0.307 353 W C 2.559 179.019 176.519 -0.098 0.000 1.200 353 W CA 3.061 60.123 57.345 -0.471 0.000 1.297 353 W CB -0.696 28.191 29.460 -0.954 0.000 1.140 353 W HN -0.276 nan 8.180 nan 0.000 0.507 354 V N 1.391 121.445 119.914 0.233 0.000 2.287 354 V HA -0.349 3.763 4.120 -0.014 0.000 0.248 354 V C 2.332 178.452 176.094 0.043 0.000 1.053 354 V CA 2.380 64.777 62.300 0.161 0.000 1.027 354 V CB -1.171 30.727 31.823 0.126 0.000 0.646 354 V HN 0.097 nan 8.190 nan 0.000 0.447 355 K N 0.248 120.690 120.400 0.070 0.000 2.103 355 K HA -0.166 4.145 4.320 -0.014 0.000 0.207 355 K C 1.856 178.495 176.600 0.065 0.000 1.048 355 K CA 1.629 57.975 56.287 0.098 0.000 0.930 355 K CB -0.611 31.970 32.500 0.135 0.000 0.716 355 K HN 0.426 nan 8.250 nan 0.000 0.444 356 L N -0.711 120.504 121.223 -0.013 0.000 1.989 356 L HA -0.150 4.182 4.340 -0.014 0.000 0.211 356 L C 2.205 178.974 176.870 -0.168 0.000 1.071 356 L CA 1.614 56.404 54.840 -0.084 0.000 0.749 356 L CB -0.571 41.382 42.059 -0.177 0.000 0.890 356 L HN 0.146 nan 8.230 nan 0.000 0.431 357 F N 0.803 120.448 119.950 -0.509 0.000 2.063 357 F HA -0.334 4.184 4.527 -0.014 0.000 0.298 357 F C 2.673 178.365 175.800 -0.180 0.000 1.109 357 F CA 2.256 59.991 58.000 -0.441 0.000 1.212 357 F CB -0.229 38.423 39.000 -0.580 0.000 0.973 357 F HN 0.167 nan 8.300 nan 0.000 0.480 358 E N -0.570 119.698 120.200 0.113 0.000 2.021 358 E HA -0.256 4.085 4.350 -0.014 0.000 0.200 358 E C 2.038 178.632 176.600 -0.011 0.000 1.015 358 E CA 2.376 58.829 56.400 0.089 0.000 0.824 358 E CB -0.443 29.327 29.700 0.116 0.000 0.762 358 E HN 0.416 nan 8.360 nan 0.000 0.454 359 T N 0.529 115.087 114.554 0.007 0.000 2.685 359 T HA -0.271 4.071 4.350 -0.014 0.000 0.268 359 T C 2.083 176.730 174.700 -0.089 0.000 1.034 359 T CA 1.897 63.981 62.100 -0.027 0.000 1.149 359 T CB -0.655 68.251 68.868 0.065 0.000 0.860 359 T HN 0.365 nan 8.240 nan 0.000 0.449 360 S N 1.186 116.804 115.700 -0.136 0.000 2.402 360 S HA -0.041 4.421 4.470 -0.014 0.000 0.233 360 S C 1.720 176.267 174.600 -0.087 0.000 1.030 360 S CA 0.905 59.007 58.200 -0.164 0.000 1.003 360 S CB -0.569 62.455 63.200 -0.293 0.000 0.813 360 S HN 0.538 nan 8.310 nan 0.000 0.477 361 L N 0.809 121.942 121.223 -0.150 0.000 2.653 361 L HA 0.311 4.642 4.340 -0.014 0.000 0.231 361 L C 0.762 177.618 176.870 -0.024 0.000 1.153 361 L CA 0.112 54.886 54.840 -0.109 0.000 0.933 361 L CB -0.011 41.955 42.059 -0.155 0.000 1.175 361 L HN 0.508 nan 8.230 nan 0.000 0.473 362 K N -0.734 119.658 120.400 -0.013 0.000 3.099 362 K HA 0.255 4.566 4.320 -0.014 0.000 0.197 362 K C -0.488 176.096 176.600 -0.027 0.000 1.114 362 K CA -0.442 55.839 56.287 -0.011 0.000 1.024 362 K CB 0.455 32.943 32.500 -0.019 0.000 0.711 362 K HN -0.007 nan 8.250 nan 0.000 0.432 363 L N 1.959 123.201 121.223 0.031 0.000 2.421 363 L HA 0.454 4.786 4.340 -0.014 0.000 0.263 363 L C -2.500 174.407 176.870 0.061 0.000 1.122 363 L CA -1.620 53.219 54.840 -0.000 0.000 0.804 363 L CB 0.921 42.957 42.059 -0.039 0.000 1.150 363 L HN 0.033 nan 8.230 nan 0.000 0.457 364 P HA 0.251 nan 4.420 nan 0.000 0.274 364 P C -1.722 175.653 177.300 0.125 0.000 1.256 364 P CA -0.304 62.829 63.100 0.056 0.000 0.795 364 P CB 1.071 32.781 31.700 0.016 0.000 1.038 365 V N 0.317 120.319 119.914 0.148 0.000 2.760 365 V HA 0.504 4.616 4.120 -0.014 0.000 0.309 365 V C -1.767 174.435 176.094 0.180 0.000 1.077 365 V CA -0.987 61.419 62.300 0.177 0.000 0.910 365 V CB 1.467 33.366 31.823 0.127 0.000 1.008 365 V HN 0.421 nan 8.190 nan 0.000 0.424 366 Y N 5.136 125.480 120.300 0.073 0.000 2.350 366 Y HA 0.673 5.216 4.550 -0.012 0.000 0.340 366 Y C -0.160 175.710 175.900 -0.051 0.000 1.006 366 Y CA -0.281 57.868 58.100 0.081 0.000 1.166 366 Y CB 1.530 40.086 38.460 0.161 0.000 1.168 366 Y HN 0.673 nan 8.280 nan 0.000 0.502 367 V N 8.282 127.884 119.914 -0.521 0.000 2.406 367 V HA 0.247 4.358 4.120 -0.014 0.000 0.272 367 V C 0.912 176.559 176.094 -0.745 0.000 1.043 367 V CA 0.498 62.462 62.300 -0.560 0.000 0.915 367 V CB 0.712 32.173 31.823 -0.604 0.000 0.988 367 V HN 1.111 nan 8.190 nan 0.000 0.466 368 G N 4.148 112.614 108.800 -0.557 0.000 2.707 368 G HA2 0.295 4.246 3.960 -0.014 0.000 0.204 368 G HA3 0.295 4.246 3.960 -0.014 0.000 0.204 368 G C 0.339 175.049 174.900 -0.317 0.000 1.435 368 G CA 0.632 45.481 45.100 -0.419 0.000 0.890 368 G HN 1.099 nan 8.290 nan 0.000 0.552 369 A N -0.253 122.538 122.820 -0.049 0.000 2.745 369 A HA 0.663 4.974 4.320 -0.014 0.000 0.301 369 A C -1.885 175.819 177.584 0.200 0.000 1.188 369 A CA -0.785 51.322 52.037 0.116 0.000 0.746 369 A CB 1.587 20.740 19.000 0.255 0.000 1.207 369 A HN 0.172 nan 8.150 nan 0.000 0.432 370 P HA 0.125 nan 4.420 nan 0.000 0.222 370 P C 0.529 177.778 177.300 -0.084 0.000 1.147 370 P CA 1.840 64.856 63.100 -0.141 0.000 0.790 370 P CB 0.374 31.862 31.700 -0.352 0.000 0.780 371 A N -2.888 119.922 122.820 -0.017 0.000 2.566 371 A HA 0.572 4.883 4.320 -0.014 0.000 0.290 371 A C -3.119 174.295 177.584 -0.283 0.000 1.071 371 A CA -1.451 50.377 52.037 -0.348 0.000 0.658 371 A CB 0.114 18.984 19.000 -0.217 0.000 1.285 371 A HN -0.307 nan 8.150 nan 0.000 0.427 372 P HA 0.401 nan 4.420 nan 0.000 0.268 372 P C -0.433 176.841 177.300 -0.044 0.000 1.204 372 P CA 1.201 64.200 63.100 -0.168 0.000 0.768 372 P CB 0.453 32.027 31.700 -0.210 0.000 0.842 373 E N -0.194 120.024 120.200 0.030 0.000 2.694 373 E HA -0.218 4.123 4.350 -0.014 0.000 0.272 373 E C -0.617 176.023 176.600 0.067 0.000 1.040 373 E CA 1.172 57.587 56.400 0.026 0.000 0.809 373 E CB -1.806 27.898 29.700 0.006 0.000 1.389 373 E HN 0.543 nan 8.360 nan 0.000 0.413 374 Q N -1.486 118.388 119.800 0.123 0.000 2.418 374 Q HA 0.660 4.992 4.340 -0.014 0.000 0.282 374 Q C 0.369 176.528 176.000 0.266 0.000 1.044 374 Q CA -0.535 55.398 55.803 0.217 0.000 0.813 374 Q CB 2.445 31.343 28.738 0.266 0.000 1.428 374 Q HN 0.292 nan 8.270 nan 0.000 0.402 375 G N 0.219 109.215 108.800 0.326 0.000 2.378 375 G HA2 -0.186 3.766 3.960 -0.014 0.000 0.198 375 G HA3 -0.186 3.766 3.960 -0.014 0.000 0.198 375 G C -0.956 174.114 174.900 0.284 0.000 1.223 375 G CA -0.086 45.112 45.100 0.165 0.000 1.088 375 G HN 0.880 nan 8.290 nan 0.000 0.530 376 H N -0.587 118.404 119.070 -0.132 0.000 2.655 376 H HA -0.087 4.460 4.556 -0.014 0.000 0.313 376 H C 0.461 175.776 175.328 -0.022 0.000 1.141 376 H CA 1.550 57.574 56.048 -0.040 0.000 1.138 376 H CB -1.945 27.878 29.762 0.100 0.000 1.446 376 H HN 0.783 nan 8.280 nan 0.000 0.415 377 T N 0.534 115.026 114.554 -0.102 0.000 2.876 377 T HA 0.532 4.873 4.350 -0.014 0.000 0.289 377 T C -0.217 174.500 174.700 0.028 0.000 1.014 377 T CA -0.874 61.295 62.100 0.114 0.000 0.986 377 T CB 2.054 71.107 68.868 0.309 0.000 1.021 377 T HN 0.236 nan 8.240 nan 0.000 0.458 378 L N 4.197 125.585 121.223 0.275 0.000 2.298 378 L HA 0.616 4.948 4.340 -0.014 0.000 0.284 378 L C -1.290 175.812 176.870 0.387 0.000 1.013 378 L CA -0.459 54.581 54.840 0.334 0.000 0.824 378 L CB 0.386 42.691 42.059 0.410 0.000 1.221 378 L HN 0.568 nan 8.230 nan 0.000 0.418 379 L N 6.187 127.596 121.223 0.309 0.000 2.276 379 L HA 0.788 5.120 4.340 -0.014 0.000 0.286 379 L C 0.716 177.724 176.870 0.230 0.000 1.061 379 L CA -0.331 54.680 54.840 0.285 0.000 0.807 379 L CB 0.777 42.982 42.059 0.244 0.000 1.177 379 L HN 0.947 nan 8.230 nan 0.000 0.429 380 G N 2.059 111.010 108.800 0.251 0.000 2.879 380 G HA2 -0.178 3.774 3.960 -0.014 0.000 0.686 380 G HA3 -0.178 3.774 3.960 -0.014 0.000 0.686 380 G C -0.933 174.113 174.900 0.243 0.000 1.115 380 G CA -0.852 44.365 45.100 0.195 0.000 0.770 380 G HN 0.730 nan 8.290 nan 0.000 0.601 381 D N 2.693 123.231 120.400 0.231 0.000 2.351 381 D HA 0.442 5.074 4.640 -0.014 0.000 0.251 381 D C -1.036 175.236 176.300 -0.047 0.000 1.137 381 D CA -2.102 51.975 54.000 0.127 0.000 0.879 381 D CB 1.488 42.407 40.800 0.199 0.000 1.181 381 D HN 0.063 nan 8.370 nan 0.000 0.448 382 P HA 0.085 nan 4.420 nan 0.000 0.241 382 P C 0.716 177.909 177.300 -0.178 0.000 1.191 382 P CA 0.307 63.279 63.100 -0.212 0.000 0.771 382 P CB 0.445 31.960 31.700 -0.308 0.000 0.929 383 S N -1.378 114.262 115.700 -0.100 0.000 2.496 383 S HA 0.046 4.508 4.470 -0.014 0.000 0.224 383 S C 0.951 175.568 174.600 0.028 0.000 0.996 383 S CA 0.488 58.693 58.200 0.009 0.000 0.927 383 S CB -0.330 62.891 63.200 0.036 0.000 0.774 383 S HN 0.132 nan 8.310 nan 0.000 0.524 384 N N 1.522 120.163 118.700 -0.099 0.000 2.725 384 N HA 0.255 4.987 4.740 -0.014 0.000 0.248 384 N C -3.356 171.995 175.510 -0.265 0.000 1.402 384 N CA -1.358 51.597 53.050 -0.158 0.000 0.766 384 N CB 1.201 39.691 38.487 0.004 0.000 1.223 384 N HN -0.010 nan 8.380 nan 0.000 0.515 385 P HA 0.047 nan 4.420 nan 0.000 0.257 385 P C -0.359 176.810 177.300 -0.219 0.000 1.189 385 P CA 0.508 63.383 63.100 -0.374 0.000 0.780 385 P CB 0.255 31.623 31.700 -0.553 0.000 0.772 386 D N 2.246 122.582 120.400 -0.106 0.000 2.996 386 D HA 0.103 4.734 4.640 -0.014 0.000 0.343 386 D C -0.494 175.798 176.300 -0.014 0.000 1.574 386 D CA -0.194 53.779 54.000 -0.045 0.000 0.773 386 D CB -0.523 40.263 40.800 -0.023 0.000 1.241 386 D HN 0.067 nan 8.370 nan 0.000 0.469 387 L N 0.593 121.808 121.223 -0.013 0.000 2.416 387 L HA 0.457 4.789 4.340 -0.014 0.000 0.262 387 L C 0.492 177.369 176.870 0.012 0.000 1.093 387 L CA 0.169 55.014 54.840 0.007 0.000 0.801 387 L CB 1.144 43.214 42.059 0.018 0.000 1.191 387 L HN -0.038 nan 8.230 nan 0.000 0.459 388 E N 1.243 121.453 120.200 0.016 0.000 3.666 388 E HA 0.152 4.494 4.350 -0.014 0.000 0.230 388 E C 0.381 176.991 176.600 0.016 0.000 1.235 388 E CA 0.051 56.466 56.400 0.025 0.000 1.096 388 E CB 0.944 30.663 29.700 0.031 0.000 1.287 388 E HN 0.439 nan 8.360 nan 0.000 0.406 389 V N -1.463 118.452 119.914 0.001 0.000 3.461 389 V HA 0.380 4.492 4.120 -0.014 0.000 0.267 389 V C 1.083 177.161 176.094 -0.027 0.000 1.186 389 V CA 0.891 63.178 62.300 -0.023 0.000 1.154 389 V CB -0.469 31.322 31.823 -0.054 0.000 0.802 389 V HN 0.517 nan 8.190 nan 0.000 0.474 390 G N 0.386 109.198 108.800 0.020 0.000 2.709 390 G HA2 -0.172 3.780 3.960 -0.014 0.000 0.228 390 G HA3 -0.172 3.780 3.960 -0.014 0.000 0.228 390 G C -0.518 174.409 174.900 0.046 0.000 1.215 390 G CA -0.083 45.068 45.100 0.086 0.000 1.003 390 G HN 0.495 nan 8.290 nan 0.000 0.584 391 L N 2.392 123.549 121.223 -0.110 0.000 2.313 391 L HA 0.544 4.876 4.340 -0.014 0.000 0.273 391 L C 0.375 177.026 176.870 -0.364 0.000 1.028 391 L CA -0.399 54.194 54.840 -0.410 0.000 0.871 391 L CB 0.898 42.541 42.059 -0.694 0.000 1.242 391 L HN 0.533 nan 8.230 nan 0.000 0.434 392 S N 1.814 117.267 115.700 -0.411 0.000 2.560 392 S HA -0.061 4.401 4.470 -0.014 0.000 0.323 392 S C 1.595 175.897 174.600 -0.498 0.000 1.191 392 S CA 0.407 58.268 58.200 -0.565 0.000 1.231 392 S CB 0.590 63.167 63.200 -1.038 0.000 1.224 392 S HN 0.861 nan 8.310 nan 0.000 0.545 393 S N 4.082 119.574 115.700 -0.348 0.000 2.399 393 S HA -0.240 4.221 4.470 -0.014 0.000 0.235 393 S C 2.102 176.599 174.600 -0.171 0.000 1.063 393 S CA 1.575 59.638 58.200 -0.230 0.000 1.070 393 S CB -1.136 61.965 63.200 -0.164 0.000 0.904 393 S HN 0.783 nan 8.310 nan 0.000 0.456 394 G N 1.327 110.022 108.800 -0.174 0.000 2.462 394 G HA2 -0.130 3.822 3.960 -0.014 0.000 0.220 394 G HA3 -0.130 3.822 3.960 -0.014 0.000 0.220 394 G C 0.657 175.605 174.900 0.079 0.000 1.121 394 G CA 0.386 45.492 45.100 0.010 0.000 0.758 394 G HN 0.645 nan 8.290 nan 0.000 0.559 395 Q N 0.442 120.252 119.800 0.016 0.000 2.342 395 Q HA -0.007 4.325 4.340 -0.014 0.000 0.330 395 Q C 1.808 177.816 176.000 0.013 0.000 1.117 395 Q CA 0.551 56.375 55.803 0.035 0.000 1.010 395 Q CB 0.747 29.413 28.738 -0.119 0.000 1.204 395 Q HN 0.172 nan 8.270 nan 0.000 0.400 396 G N 2.802 111.625 108.800 0.038 0.000 2.485 396 G HA2 -0.198 3.753 3.960 -0.014 0.000 0.221 396 G HA3 -0.198 3.753 3.960 -0.014 0.000 0.221 396 G C 0.690 175.648 174.900 0.096 0.000 1.115 396 G CA 0.944 46.095 45.100 0.085 0.000 0.751 396 G HN 0.662 nan 8.290 nan 0.000 0.567 397 A N 0.059 122.921 122.820 0.071 0.000 2.643 397 A HA 0.467 4.779 4.320 -0.014 0.000 0.295 397 A C 1.898 179.493 177.584 0.018 0.000 1.065 397 A CA 0.985 53.089 52.037 0.111 0.000 0.986 397 A CB -0.332 18.848 19.000 0.299 0.000 1.212 397 A HN 0.303 nan 8.150 nan 0.000 0.516 398 T N -0.992 113.525 114.554 -0.062 0.000 2.822 398 T HA -0.241 4.100 4.350 -0.014 0.000 0.270 398 T C 1.398 176.034 174.700 -0.106 0.000 1.064 398 T CA 1.768 63.779 62.100 -0.150 0.000 1.131 398 T CB -0.455 68.319 68.868 -0.156 0.000 0.858 398 T HN 0.584 nan 8.240 nan 0.000 0.483 399 D N 1.846 122.222 120.400 -0.041 0.000 2.149 399 D HA -0.057 4.574 4.640 -0.014 0.000 0.201 399 D C 2.162 178.446 176.300 -0.027 0.000 0.972 399 D CA 0.639 54.621 54.000 -0.030 0.000 0.835 399 D CB -0.782 40.026 40.800 0.013 0.000 0.966 399 D HN 0.448 nan 8.370 nan 0.000 0.476 400 L N -0.606 120.614 121.223 -0.006 0.000 2.093 400 L HA -0.098 4.234 4.340 -0.014 0.000 0.208 400 L C 2.641 179.579 176.870 0.114 0.000 1.085 400 L CA 0.724 55.568 54.840 0.008 0.000 0.755 400 L CB -0.449 41.645 42.059 0.058 0.000 0.904 400 L HN -0.019 nan 8.230 nan 0.000 0.435 401 M N -0.071 119.597 119.600 0.113 0.000 2.086 401 M HA -0.091 4.381 4.480 -0.014 0.000 0.261 401 M C 2.424 178.931 176.300 0.346 0.000 1.067 401 M CA 1.886 57.304 55.300 0.197 0.000 1.116 401 M CB -1.920 30.501 32.600 -0.298 0.000 1.348 401 M HN 0.279 nan 8.290 nan 0.000 0.407 402 G N -0.677 108.214 108.800 0.152 0.000 2.448 402 G HA2 -0.165 3.787 3.960 -0.014 0.000 0.219 402 G HA3 -0.165 3.787 3.960 -0.014 0.000 0.219 402 G C 1.487 176.547 174.900 0.268 0.000 1.127 402 G CA 1.548 46.818 45.100 0.282 0.000 0.766 402 G HN 0.476 nan 8.290 nan 0.000 0.552 403 T N 1.329 115.975 114.554 0.154 0.000 2.866 403 T HA 0.038 4.380 4.350 -0.014 0.000 0.250 403 T C 2.199 177.030 174.700 0.219 0.000 1.033 403 T CA 0.502 62.677 62.100 0.125 0.000 1.145 403 T CB -0.339 68.451 68.868 -0.130 0.000 0.866 403 T HN 0.049 nan 8.240 nan 0.000 0.434 404 L N 1.659 123.007 121.223 0.208 0.000 2.103 404 L HA -0.116 4.216 4.340 -0.014 0.000 0.215 404 L C 2.125 179.221 176.870 0.376 0.000 1.080 404 L CA 1.872 56.906 54.840 0.324 0.000 0.764 404 L CB -1.333 40.921 42.059 0.326 0.000 0.890 404 L HN 0.272 nan 8.230 nan 0.000 0.435 405 L N -0.359 121.072 121.223 0.346 0.000 1.971 405 L HA -0.151 4.181 4.340 -0.014 0.000 0.208 405 L C 2.454 179.488 176.870 0.273 0.000 1.083 405 L CA 1.804 56.795 54.840 0.251 0.000 0.753 405 L CB -0.697 41.460 42.059 0.163 0.000 0.893 405 L HN 0.136 nan 8.230 nan 0.000 0.436 406 M N -0.512 119.228 119.600 0.233 0.000 2.202 406 M HA -0.177 4.294 4.480 -0.014 0.000 0.262 406 M C 2.532 178.917 176.300 0.142 0.000 1.063 406 M CA 1.733 57.052 55.300 0.032 0.000 1.097 406 M CB -1.893 30.742 32.600 0.059 0.000 1.382 406 M HN 0.569 nan 8.290 nan 0.000 0.413 407 S N 0.906 116.846 115.700 0.400 0.000 2.344 407 S HA -0.099 4.362 4.470 -0.014 0.000 0.217 407 S C 1.891 176.777 174.600 0.478 0.000 1.033 407 S CA 1.067 59.625 58.200 0.597 0.000 1.017 407 S CB 0.008 63.699 63.200 0.817 0.000 0.941 407 S HN 0.285 nan 8.310 nan 0.000 0.430 408 I N 1.814 122.600 120.570 0.361 0.000 2.208 408 I HA -0.136 4.026 4.170 -0.014 0.000 0.245 408 I C 2.522 178.642 176.117 0.006 0.000 1.097 408 I CA 1.572 62.913 61.300 0.069 0.000 1.363 408 I CB -2.300 35.566 38.000 -0.223 0.000 1.051 408 I HN 0.330 nan 8.210 nan 0.000 0.413 409 T N 0.677 115.286 114.554 0.092 0.000 2.653 409 T HA -0.239 4.102 4.350 -0.014 0.000 0.268 409 T C 1.900 176.663 174.700 0.104 0.000 1.035 409 T CA 1.830 63.996 62.100 0.110 0.000 1.154 409 T CB -0.439 68.433 68.868 0.007 0.000 0.862 409 T HN 0.184 nan 8.240 nan 0.000 0.441 410 Y N 0.914 121.333 120.300 0.197 0.000 2.163 410 Y HA 0.044 4.586 4.550 -0.014 0.000 0.288 410 Y C 2.226 178.181 175.900 0.092 0.000 1.136 410 Y CA 0.147 58.337 58.100 0.150 0.000 1.147 410 Y CB -1.097 37.463 38.460 0.166 0.000 0.987 410 Y HN 0.137 nan 8.280 nan 0.000 0.509 411 L N -0.498 120.876 121.223 0.252 0.000 2.042 411 L HA -0.144 4.187 4.340 -0.014 0.000 0.210 411 L C 1.983 178.827 176.870 -0.043 0.000 1.076 411 L CA 1.569 56.396 54.840 -0.021 0.000 0.749 411 L CB -0.920 41.035 42.059 -0.174 0.000 0.893 411 L HN 0.024 nan 8.230 nan 0.000 0.432 412 V N -0.299 119.625 119.914 0.017 0.000 2.626 412 V HA -0.246 3.866 4.120 -0.014 0.000 0.252 412 V C 2.531 178.690 176.094 0.109 0.000 1.067 412 V CA 1.928 64.252 62.300 0.040 0.000 1.081 412 V CB -0.547 31.326 31.823 0.084 0.000 0.686 412 V HN 0.611 nan 8.190 nan 0.000 0.468 413 M N -0.875 118.810 119.600 0.142 0.000 2.419 413 M HA -0.142 4.330 4.480 -0.014 0.000 0.264 413 M C 2.122 178.511 176.300 0.148 0.000 1.082 413 M CA 1.507 56.887 55.300 0.133 0.000 1.119 413 M CB 0.070 32.761 32.600 0.152 0.000 1.398 413 M HN 0.347 nan 8.290 nan 0.000 0.453 414 Q N -0.160 119.723 119.800 0.137 0.000 2.163 414 Q HA -0.004 4.328 4.340 -0.014 0.000 0.198 414 Q C 2.008 178.092 176.000 0.140 0.000 0.954 414 Q CA 0.939 56.851 55.803 0.181 0.000 0.851 414 Q CB 0.129 28.877 28.738 0.016 0.000 0.928 414 Q HN 0.507 nan 8.270 nan 0.000 0.459 415 L N 0.822 122.067 121.223 0.038 0.000 2.046 415 L HA -0.212 4.119 4.340 -0.014 0.000 0.208 415 L C 1.687 178.580 176.870 0.040 0.000 1.077 415 L CA 1.061 55.887 54.840 -0.023 0.000 0.747 415 L CB -0.425 41.584 42.059 -0.083 0.000 0.896 415 L HN 0.220 nan 8.230 nan 0.000 0.432 416 D N -0.723 119.752 120.400 0.124 0.000 2.084 416 D HA -0.166 4.466 4.640 -0.014 0.000 0.194 416 D C 1.869 178.275 176.300 0.176 0.000 0.990 416 D CA 1.433 55.532 54.000 0.165 0.000 0.826 416 D CB -0.139 40.836 40.800 0.291 0.000 0.971 416 D HN 0.470 nan 8.370 nan 0.000 0.453 417 H N -1.788 117.322 119.070 0.066 0.000 2.586 417 H HA 0.216 4.763 4.556 -0.014 0.000 0.273 417 H C 0.821 176.193 175.328 0.074 0.000 0.997 417 H CA 0.937 57.024 56.048 0.065 0.000 1.177 417 H CB 0.801 30.605 29.762 0.070 0.000 1.471 417 H HN 0.185 nan 8.280 nan 0.000 0.538 418 T N -3.672 111.020 114.554 0.230 0.000 3.191 418 T HA 0.341 4.683 4.350 -0.014 0.000 0.285 418 T C 0.837 175.664 174.700 0.212 0.000 0.887 418 T CA 0.200 62.429 62.100 0.214 0.000 0.881 418 T CB 0.393 69.456 68.868 0.325 0.000 1.217 418 T HN 0.159 nan 8.240 nan 0.000 0.591 419 A N 1.688 124.555 122.820 0.079 0.000 3.106 419 A HA 0.676 4.987 4.320 -0.014 0.000 0.227 419 A C -2.063 175.278 177.584 -0.404 0.000 0.920 419 A CA -0.826 51.087 52.037 -0.206 0.000 1.088 419 A CB 0.393 19.255 19.000 -0.231 0.000 1.233 419 A HN 0.201 nan 8.150 nan 0.000 0.503 420 P HA -0.258 nan 4.420 nan 0.000 0.216 420 P C 1.356 178.576 177.300 -0.134 0.000 1.154 420 P CA 1.762 64.803 63.100 -0.099 0.000 0.865 420 P CB -0.278 31.421 31.700 -0.001 0.000 0.789 421 H N -1.227 117.821 119.070 -0.037 0.000 2.566 421 H HA -0.015 4.533 4.556 -0.014 0.000 0.285 421 H C 1.481 176.761 175.328 -0.080 0.000 1.041 421 H CA 0.693 56.714 56.048 -0.045 0.000 1.207 421 H CB -1.043 28.707 29.762 -0.020 0.000 1.353 421 H HN 0.238 nan 8.280 nan 0.000 0.604 422 L N 0.292 121.244 121.223 -0.452 0.000 2.463 422 L HA -0.005 4.327 4.340 -0.014 0.000 0.219 422 L C 2.005 178.623 176.870 -0.421 0.000 1.088 422 L CA -0.037 54.548 54.840 -0.425 0.000 0.849 422 L CB -0.081 41.659 42.059 -0.532 0.000 1.012 422 L HN 0.137 nan 8.230 nan 0.000 0.468 423 N N 0.386 118.896 118.700 -0.317 0.000 2.091 423 N HA -0.212 4.520 4.740 -0.014 0.000 0.193 423 N C 1.855 177.228 175.510 -0.229 0.000 1.021 423 N CA 1.931 54.820 53.050 -0.268 0.000 0.862 423 N CB -0.342 38.042 38.487 -0.172 0.000 1.018 423 N HN 0.353 nan 8.380 nan 0.000 0.429 424 S N 0.667 116.265 115.700 -0.170 0.000 2.488 424 S HA -0.031 4.431 4.470 -0.014 0.000 0.246 424 S C 1.569 176.085 174.600 -0.139 0.000 0.992 424 S CA 0.639 58.766 58.200 -0.122 0.000 0.963 424 S CB -0.105 63.048 63.200 -0.078 0.000 0.754 424 S HN 0.266 nan 8.310 nan 0.000 0.519 425 R N 0.528 120.890 120.500 -0.230 0.000 2.297 425 R HA 0.320 4.652 4.340 -0.014 0.000 0.197 425 R C 0.150 176.323 176.300 -0.211 0.000 0.943 425 R CA 0.367 56.327 56.100 -0.233 0.000 1.038 425 R CB -0.058 30.004 30.300 -0.396 0.000 0.957 425 R HN 0.501 nan 8.270 nan 0.000 0.484 426 I N 1.139 121.573 120.570 -0.227 0.000 2.620 426 I HA 0.156 4.318 4.170 -0.014 0.000 0.280 426 I C 0.582 176.642 176.117 -0.095 0.000 1.143 426 I CA -0.171 61.038 61.300 -0.150 0.000 1.163 426 I CB 1.125 39.009 38.000 -0.193 0.000 1.461 426 I HN -0.142 nan 8.210 nan 0.000 0.530 427 K N 1.816 122.179 120.400 -0.062 0.000 2.107 427 K HA 0.068 4.380 4.320 -0.014 0.000 0.211 427 K C 0.436 177.020 176.600 -0.028 0.000 1.024 427 K CA 0.537 56.798 56.287 -0.044 0.000 0.953 427 K CB 0.116 32.596 32.500 -0.034 0.000 0.831 427 K HN 0.526 nan 8.250 nan 0.000 0.454 428 D N -0.376 120.014 120.400 -0.016 0.000 2.539 428 D HA 0.027 4.659 4.640 -0.014 0.000 0.280 428 D C 1.012 177.311 176.300 -0.002 0.000 1.208 428 D CA -0.490 53.506 54.000 -0.007 0.000 1.088 428 D CB 0.140 40.940 40.800 -0.001 0.000 1.149 428 D HN -0.162 nan 8.370 nan 0.000 0.596 429 M N -0.208 119.395 119.600 0.005 0.000 2.066 429 M HA 0.058 4.529 4.480 -0.014 0.000 0.259 429 M C -1.398 174.911 176.300 0.015 0.000 1.074 429 M CA 1.443 56.749 55.300 0.010 0.000 1.114 429 M CB -1.625 30.984 32.600 0.015 0.000 1.306 429 M HN 0.265 nan 8.290 nan 0.000 0.411 430 P HA -0.200 nan 4.420 nan 0.000 0.216 430 P C 1.661 178.981 177.300 0.033 0.000 1.167 430 P CA 2.783 65.900 63.100 0.028 0.000 0.914 430 P CB -0.503 31.213 31.700 0.026 0.000 0.793 431 S N -0.574 115.142 115.700 0.027 0.000 2.392 431 S HA -0.280 4.182 4.470 -0.014 0.000 0.232 431 S C 2.062 176.699 174.600 0.062 0.000 1.041 431 S CA 1.718 59.939 58.200 0.035 0.000 1.026 431 S CB -1.603 61.601 63.200 0.008 0.000 0.845 431 S HN 0.186 nan 8.310 nan 0.000 0.465 432 A N 0.967 123.810 122.820 0.039 0.000 1.855 432 A HA -0.026 4.286 4.320 -0.014 0.000 0.215 432 A C 2.591 180.190 177.584 0.026 0.000 1.191 432 A CA 1.391 53.456 52.037 0.046 0.000 0.613 432 A CB -1.536 17.466 19.000 0.003 0.000 0.829 432 A HN 0.729 nan 8.150 nan 0.000 0.442 433 C N -0.698 118.607 119.300 0.008 0.000 2.413 433 C HA -0.121 4.331 4.460 -0.014 0.000 0.276 433 C C 2.859 177.850 174.990 0.002 0.000 1.236 433 C CA 1.129 60.141 59.018 -0.011 0.000 1.735 433 C CB -1.429 26.328 27.740 0.028 0.000 2.031 433 C HN 0.584 nan 8.230 nan 0.000 0.474 434 R N -0.205 120.325 120.500 0.049 0.000 2.083 434 R HA -0.168 4.164 4.340 -0.014 0.000 0.237 434 R C 2.138 178.483 176.300 0.075 0.000 1.137 434 R CA 1.907 58.050 56.100 0.073 0.000 0.951 434 R CB -0.712 29.640 30.300 0.087 0.000 0.851 434 R HN 0.585 nan 8.270 nan 0.000 0.434 435 F N 1.583 121.508 119.950 -0.042 0.000 2.113 435 F HA -0.167 4.352 4.527 -0.014 0.000 0.297 435 F C 2.053 177.799 175.800 -0.090 0.000 1.103 435 F CA 1.134 59.099 58.000 -0.058 0.000 1.248 435 F CB -0.510 38.432 39.000 -0.095 0.000 0.999 435 F HN -0.080 nan 8.300 nan 0.000 0.475 436 L N 0.906 121.887 121.223 -0.404 0.000 2.042 436 L HA -0.210 4.122 4.340 -0.014 0.000 0.210 436 L C 2.241 178.765 176.870 -0.577 0.000 1.076 436 L CA 2.356 56.802 54.840 -0.658 0.000 0.749 436 L CB -1.371 40.294 42.059 -0.656 0.000 0.893 436 L HN 0.318 nan 8.230 nan 0.000 0.432 437 D N -1.283 118.944 120.400 -0.288 0.000 2.116 437 D HA -0.237 4.394 4.640 -0.014 0.000 0.193 437 D C 2.115 178.428 176.300 0.022 0.000 0.998 437 D CA 1.613 55.604 54.000 -0.015 0.000 0.836 437 D CB 0.104 40.994 40.800 0.150 0.000 0.951 437 D HN 0.466 nan 8.370 nan 0.000 0.449 438 S N -1.287 114.375 115.700 -0.064 0.000 2.348 438 S HA -0.217 4.245 4.470 -0.014 0.000 0.221 438 S C 2.062 176.586 174.600 -0.126 0.000 1.033 438 S CA 1.294 59.483 58.200 -0.018 0.000 1.010 438 S CB -0.786 62.426 63.200 0.019 0.000 0.891 438 S HN 0.494 nan 8.310 nan 0.000 0.442 439 Y N 0.371 120.374 120.300 -0.494 0.000 2.081 439 Y HA -0.252 4.289 4.550 -0.014 0.000 0.280 439 Y C 2.084 177.877 175.900 -0.179 0.000 1.163 439 Y CA 2.278 60.100 58.100 -0.463 0.000 1.135 439 Y CB -0.398 37.601 38.460 -0.769 0.000 0.970 439 Y HN 0.375 nan 8.280 nan 0.000 0.498 440 W N 1.057 122.115 121.300 -0.404 0.000 2.342 440 W HA -0.190 4.461 4.660 -0.014 0.000 0.297 440 W C 2.163 178.542 176.519 -0.233 0.000 1.213 440 W CA 1.449 58.532 57.345 -0.437 0.000 1.251 440 W CB -0.928 28.243 29.460 -0.482 0.000 1.136 440 W HN 0.351 nan 8.180 nan 0.000 0.526 441 Q N -0.475 119.337 119.800 0.019 0.000 2.482 441 Q HA 0.156 4.487 4.340 -0.014 0.000 0.209 441 Q C 1.399 177.022 176.000 -0.629 0.000 0.961 441 Q CA 0.888 56.558 55.803 -0.222 0.000 0.945 441 Q CB -0.331 28.140 28.738 -0.446 0.000 1.012 441 Q HN 0.329 nan 8.270 nan 0.000 0.515 442 G N 1.325 109.756 108.800 -0.614 0.000 2.225 442 G HA2 -0.284 3.668 3.960 -0.014 0.000 0.264 442 G HA3 -0.284 3.668 3.960 -0.014 0.000 0.264 442 G C -0.071 174.492 174.900 -0.561 0.000 1.060 442 G CA 0.261 44.744 45.100 -1.028 0.000 0.833 442 G HN 0.656 nan 8.290 nan 0.000 0.498 443 H N -0.685 118.232 119.070 -0.256 0.000 2.542 443 H HA 0.227 4.775 4.556 -0.014 0.000 0.283 443 H C 0.820 176.119 175.328 -0.050 0.000 1.059 443 H CA -0.219 55.751 56.048 -0.129 0.000 1.162 443 H CB 0.671 30.393 29.762 -0.066 0.000 1.539 443 H HN 0.391 nan 8.280 nan 0.000 0.543 444 E N 0.658 120.902 120.200 0.075 0.000 2.303 444 E HA 0.038 4.380 4.350 -0.014 0.000 0.254 444 E C 0.755 177.400 176.600 0.075 0.000 0.979 444 E CA -0.311 56.160 56.400 0.119 0.000 0.843 444 E CB 1.011 30.822 29.700 0.185 0.000 1.245 444 E HN 0.504 nan 8.360 nan 0.000 0.413 445 E N -0.176 120.084 120.200 0.101 0.000 2.482 445 E HA 0.041 4.382 4.350 -0.014 0.000 0.196 445 E C 0.756 177.347 176.600 -0.015 0.000 1.047 445 E CA 0.442 56.890 56.400 0.080 0.000 0.869 445 E CB -0.512 29.277 29.700 0.149 0.000 0.836 445 E HN 0.358 nan 8.360 nan 0.000 0.520 446 I N -1.331 119.202 120.570 -0.062 0.000 2.433 446 I HA 0.596 4.758 4.170 -0.014 0.000 0.292 446 I C -0.449 175.581 176.117 -0.145 0.000 1.001 446 I CA -1.305 59.810 61.300 -0.308 0.000 1.119 446 I CB 1.665 39.498 38.000 -0.278 0.000 1.289 446 I HN -0.191 nan 8.210 nan 0.000 0.438 447 R N 3.888 124.106 120.500 -0.470 0.000 2.836 447 R HA 0.607 4.939 4.340 -0.014 0.000 0.269 447 R C -1.307 174.723 176.300 -0.451 0.000 1.010 447 R CA -0.856 55.022 56.100 -0.370 0.000 0.930 447 R CB 2.525 32.674 30.300 -0.252 0.000 1.218 447 R HN 0.739 nan 8.270 nan 0.000 0.473 448 Q N 2.102 121.753 119.800 -0.248 0.000 2.377 448 Q HA 0.532 4.863 4.340 -0.014 0.000 0.279 448 Q C -1.729 174.227 176.000 -0.075 0.000 1.049 448 Q CA -0.814 54.882 55.803 -0.178 0.000 0.825 448 Q CB 2.419 31.096 28.738 -0.103 0.000 1.401 448 Q HN 0.686 nan 8.270 nan 0.000 0.404 449 I N 0.307 120.798 120.570 -0.132 0.000 2.500 449 I HA 0.719 4.881 4.170 -0.014 0.000 0.286 449 I C -0.826 175.098 176.117 -0.321 0.000 1.063 449 I CA -0.472 60.659 61.300 -0.282 0.000 1.062 449 I CB 1.927 39.534 38.000 -0.655 0.000 1.223 449 I HN 0.650 nan 8.210 nan 0.000 0.435 450 S N 4.177 120.002 115.700 0.209 0.000 2.705 450 S HA 0.856 5.317 4.470 -0.014 0.000 0.280 450 S C -1.006 174.010 174.600 0.693 0.000 1.174 450 S CA -0.864 57.628 58.200 0.486 0.000 0.823 450 S CB 2.283 65.746 63.200 0.438 0.000 1.162 450 S HN 0.748 nan 8.310 nan 0.000 0.487 451 K N 0.466 121.172 120.400 0.509 0.000 2.690 451 K HA 0.661 4.973 4.320 -0.014 0.000 0.264 451 K C 0.155 176.876 176.600 0.203 0.000 1.040 451 K CA 0.439 56.916 56.287 0.317 0.000 0.946 451 K CB 0.899 33.523 32.500 0.206 0.000 1.268 451 K HN 0.867 nan 8.250 nan 0.000 0.473 452 S N 1.922 117.703 115.700 0.136 0.000 4.110 452 S HA -0.306 4.155 4.470 -0.014 0.000 0.573 452 S C 0.686 175.366 174.600 0.132 0.000 1.936 452 S CA 1.976 60.200 58.200 0.040 0.000 4.227 452 S CB -1.025 62.092 63.200 -0.139 0.000 0.327 452 S HN 0.941 nan 8.310 nan 0.000 0.532 453 D N 1.345 121.756 120.400 0.017 0.000 2.339 453 D HA 0.100 4.731 4.640 -0.014 0.000 0.217 453 D C 0.016 176.501 176.300 0.307 0.000 1.050 453 D CA 0.230 54.358 54.000 0.212 0.000 0.856 453 D CB -0.226 40.669 40.800 0.158 0.000 0.922 453 D HN 0.360 nan 8.370 nan 0.000 0.518 454 D N 0.743 121.293 120.400 0.249 0.000 2.232 454 D HA 0.544 5.175 4.640 -0.014 0.000 0.242 454 D C -0.855 175.693 176.300 0.414 0.000 1.093 454 D CA -0.331 53.835 54.000 0.277 0.000 0.845 454 D CB 1.497 42.395 40.800 0.163 0.000 1.124 454 D HN 0.262 nan 8.370 nan 0.000 0.467 455 A N 3.500 126.469 122.820 0.249 0.000 2.586 455 A HA 0.680 4.991 4.320 -0.014 0.000 0.290 455 A C -1.414 176.048 177.584 -0.203 0.000 1.086 455 A CA -0.766 51.253 52.037 -0.029 0.000 0.665 455 A CB 1.453 20.356 19.000 -0.162 0.000 1.279 455 A HN 0.475 nan 8.150 nan 0.000 0.423 456 M N 1.912 121.303 119.600 -0.348 0.000 2.151 456 M HA 0.366 4.837 4.480 -0.014 0.000 0.290 456 M C -1.451 174.784 176.300 -0.108 0.000 0.965 456 M CA -0.122 55.090 55.300 -0.147 0.000 0.930 456 M CB 1.365 33.922 32.600 -0.072 0.000 1.560 456 M HN 0.584 nan 8.290 nan 0.000 0.438 457 L N 2.710 123.803 121.223 -0.217 0.000 2.292 457 L HA 0.764 5.095 4.340 -0.014 0.000 0.284 457 L C 0.629 177.064 176.870 -0.724 0.000 1.065 457 L CA -0.490 54.059 54.840 -0.484 0.000 0.806 457 L CB 1.227 43.056 42.059 -0.383 0.000 1.175 457 L HN 0.779 nan 8.230 nan 0.000 0.431 458 G N 2.492 110.402 108.800 -1.484 0.000 2.533 458 G HA2 0.604 4.556 3.960 -0.014 0.000 0.304 458 G HA3 0.604 4.556 3.960 -0.014 0.000 0.304 458 G C -1.904 172.220 174.900 -1.294 0.000 1.263 458 G CA -0.387 43.715 45.100 -1.663 0.000 0.964 458 G HN 0.481 nan 8.290 nan 0.000 0.479 459 W N 1.080 122.082 121.300 -0.497 0.000 2.883 459 W HA 0.450 5.102 4.660 -0.014 0.000 0.335 459 W C 0.193 176.649 176.519 -0.106 0.000 1.083 459 W CA -0.616 56.591 57.345 -0.229 0.000 1.233 459 W CB 2.440 31.831 29.460 -0.116 0.000 1.412 459 W HN 0.783 nan 8.180 nan 0.000 0.490 460 T N -0.372 114.268 114.554 0.144 0.000 2.936 460 T HA 0.376 4.718 4.350 -0.014 0.000 0.282 460 T C 0.224 175.033 174.700 0.181 0.000 1.003 460 T CA -0.875 61.326 62.100 0.168 0.000 1.005 460 T CB 1.560 70.507 68.868 0.132 0.000 1.097 460 T HN 0.073 nan 8.240 nan 0.000 0.532 461 K N 1.298 121.791 120.400 0.155 0.000 2.466 461 K HA 0.466 4.778 4.320 -0.014 0.000 0.278 461 K C 0.612 177.280 176.600 0.113 0.000 1.048 461 K CA 0.653 57.015 56.287 0.126 0.000 1.088 461 K CB 0.007 32.566 32.500 0.099 0.000 0.884 461 K HN 1.021 nan 8.250 nan 0.000 0.478 462 G N 1.761 110.626 108.800 0.108 0.000 2.325 462 G HA2 0.048 4.000 3.960 -0.014 0.000 0.295 462 G HA3 0.048 4.000 3.960 -0.014 0.000 0.295 462 G C 0.382 175.324 174.900 0.070 0.000 1.274 462 G CA -0.817 44.336 45.100 0.088 0.000 0.857 462 G HN 0.406 nan 8.290 nan 0.000 0.499 463 R N -0.207 120.304 120.500 0.018 0.000 2.075 463 R HA -0.042 4.289 4.340 -0.014 0.000 0.230 463 R C 2.979 179.337 176.300 0.097 0.000 1.140 463 R CA 1.839 57.909 56.100 -0.049 0.000 0.928 463 R CB -0.929 29.132 30.300 -0.397 0.000 0.834 463 R HN 0.638 nan 8.270 nan 0.000 0.429 464 A N 2.251 125.238 122.820 0.280 0.000 1.958 464 A HA -0.202 4.110 4.320 -0.014 0.000 0.221 464 A C 2.172 179.860 177.584 0.173 0.000 1.178 464 A CA 1.285 53.536 52.037 0.358 0.000 0.642 464 A CB -0.670 18.654 19.000 0.539 0.000 0.816 464 A HN 0.241 nan 8.150 nan 0.000 0.453 465 L N -0.086 121.247 121.223 0.183 0.000 2.103 465 L HA -0.192 4.140 4.340 -0.014 0.000 0.215 465 L C 2.567 179.440 176.870 0.004 0.000 1.080 465 L CA 2.552 57.436 54.840 0.073 0.000 0.764 465 L CB -1.170 40.980 42.059 0.152 0.000 0.890 465 L HN 0.354 nan 8.230 nan 0.000 0.435 466 V N -0.441 119.489 119.914 0.026 0.000 2.453 466 V HA -0.061 4.050 4.120 -0.014 0.000 0.247 466 V C 2.456 178.528 176.094 -0.036 0.000 1.048 466 V CA 1.596 63.906 62.300 0.016 0.000 1.049 466 V CB -0.431 31.390 31.823 -0.003 0.000 0.672 466 V HN 0.513 nan 8.190 nan 0.000 0.457 467 G N -0.128 108.635 108.800 -0.060 0.000 2.421 467 G HA2 -0.146 3.805 3.960 -0.014 0.000 0.216 467 G HA3 -0.146 3.805 3.960 -0.014 0.000 0.216 467 G C 1.606 176.350 174.900 -0.260 0.000 1.171 467 G CA 0.875 45.932 45.100 -0.071 0.000 0.775 467 G HN 0.713 nan 8.290 nan 0.000 0.543 468 G N 0.309 108.702 108.800 -0.677 0.000 2.599 468 G HA2 -0.342 3.610 3.960 -0.014 0.000 0.219 468 G HA3 -0.342 3.610 3.960 -0.014 0.000 0.219 468 G C 1.616 176.041 174.900 -0.791 0.000 1.193 468 G CA 1.253 45.450 45.100 -1.505 0.000 0.778 468 G HN 0.524 nan 8.290 nan 0.000 0.589 469 H N 0.350 119.138 119.070 -0.469 0.000 2.426 469 H HA -0.039 4.509 4.556 -0.014 0.000 0.298 469 H C 2.853 178.074 175.328 -0.178 0.000 1.107 469 H CA 1.406 57.301 56.048 -0.254 0.000 1.298 469 H CB 0.039 29.683 29.762 -0.197 0.000 1.377 469 H HN 0.295 nan 8.280 nan 0.000 0.519 470 R N 0.070 120.544 120.500 -0.043 0.000 2.066 470 R HA -0.104 4.228 4.340 -0.014 0.000 0.232 470 R C 2.417 178.725 176.300 0.013 0.000 1.131 470 R CA 0.609 56.705 56.100 -0.008 0.000 0.955 470 R CB -0.466 29.838 30.300 0.007 0.000 0.851 470 R HN 0.143 nan 8.270 nan 0.000 0.432 471 L N 0.671 121.880 121.223 -0.024 0.000 1.990 471 L HA -0.220 4.111 4.340 -0.014 0.000 0.213 471 L C 2.107 179.017 176.870 0.066 0.000 1.072 471 L CA 1.761 56.607 54.840 0.010 0.000 0.755 471 L CB -0.976 41.044 42.059 -0.065 0.000 0.889 471 L HN 0.059 nan 8.230 nan 0.000 0.432 472 F N 0.822 120.650 119.950 -0.203 0.000 2.120 472 F HA -0.263 4.255 4.527 -0.014 0.000 0.300 472 F C 2.556 178.262 175.800 -0.156 0.000 1.095 472 F CA 2.036 59.911 58.000 -0.207 0.000 1.249 472 F CB -0.736 38.044 39.000 -0.368 0.000 0.995 472 F HN 0.342 nan 8.300 nan 0.000 0.480 473 E N 0.063 120.283 120.200 0.033 0.000 2.110 473 E HA -0.251 4.091 4.350 -0.014 0.000 0.193 473 E C 2.391 179.038 176.600 0.078 0.000 0.988 473 E CA 1.546 57.947 56.400 0.000 0.000 0.804 473 E CB -0.535 29.160 29.700 -0.010 0.000 0.745 473 E HN 0.518 nan 8.360 nan 0.000 0.458 474 M N -0.523 119.136 119.600 0.099 0.000 2.175 474 M HA -0.119 4.353 4.480 -0.014 0.000 0.264 474 M C 1.620 178.007 176.300 0.145 0.000 1.063 474 M CA 1.333 56.703 55.300 0.116 0.000 1.119 474 M CB 0.013 32.691 32.600 0.130 0.000 1.377 474 M HN 0.183 nan 8.290 nan 0.000 0.415 475 L N -0.146 121.187 121.223 0.183 0.000 2.156 475 L HA -0.162 4.170 4.340 -0.014 0.000 0.208 475 L C 2.553 179.600 176.870 0.295 0.000 1.095 475 L CA 1.032 56.026 54.840 0.258 0.000 0.770 475 L CB -0.664 41.574 42.059 0.297 0.000 0.914 475 L HN 0.355 nan 8.230 nan 0.000 0.439 476 K N 0.680 121.164 120.400 0.141 0.000 1.991 476 K HA -0.154 4.157 4.320 -0.014 0.000 0.207 476 K C 1.909 178.576 176.600 0.112 0.000 1.045 476 K CA 1.277 57.552 56.287 -0.021 0.000 0.937 476 K CB 0.027 32.510 32.500 -0.027 0.000 0.720 476 K HN 0.250 nan 8.250 nan 0.000 0.438 477 E N -0.163 120.095 120.200 0.097 0.000 2.160 477 E HA -0.120 4.222 4.350 -0.014 0.000 0.195 477 E C 0.663 177.336 176.600 0.122 0.000 0.991 477 E CA 0.651 57.104 56.400 0.089 0.000 0.810 477 E CB -0.312 29.429 29.700 0.068 0.000 0.742 477 E HN 0.615 nan 8.360 nan 0.000 0.466 478 G N 1.808 110.701 108.800 0.155 0.000 2.385 478 G HA2 -0.328 3.623 3.960 -0.014 0.000 0.284 478 G HA3 -0.328 3.623 3.960 -0.014 0.000 0.284 478 G C 0.525 175.497 174.900 0.121 0.000 0.899 478 G CA 0.979 46.179 45.100 0.167 0.000 1.204 478 G HN 0.219 nan 8.290 nan 0.000 0.486 479 K N -1.454 119.004 120.400 0.097 0.000 2.367 479 K HA 0.279 4.591 4.320 -0.014 0.000 0.195 479 K C 0.524 177.167 176.600 0.071 0.000 1.060 479 K CA 0.229 56.561 56.287 0.075 0.000 1.022 479 K CB 0.863 33.400 32.500 0.061 0.000 0.894 479 K HN 0.296 nan 8.250 nan 0.000 0.540 480 V N 1.940 121.904 119.914 0.083 0.000 2.588 480 V HA 0.144 4.255 4.120 -0.014 0.000 0.304 480 V C -0.830 175.319 176.094 0.091 0.000 1.042 480 V CA -1.214 61.135 62.300 0.081 0.000 0.877 480 V CB 1.643 33.517 31.823 0.084 0.000 0.996 480 V HN 0.158 nan 8.190 nan 0.000 0.425 481 N N 6.564 125.309 118.700 0.074 0.000 2.411 481 N HA 0.307 5.038 4.740 -0.014 0.000 0.259 481 N C -1.061 174.498 175.510 0.082 0.000 1.103 481 N CA -1.538 51.552 53.050 0.067 0.000 0.954 481 N CB 1.422 39.930 38.487 0.035 0.000 1.085 481 N HN 0.396 nan 8.380 nan 0.000 0.485 482 P HA -0.026 nan 4.420 nan 0.000 0.239 482 P C -0.444 176.895 177.300 0.066 0.000 1.184 482 P CA 0.430 63.559 63.100 0.049 0.000 0.760 482 P CB 0.384 31.985 31.700 -0.166 0.000 0.884 483 S N 0.612 116.338 115.700 0.044 0.000 2.542 483 S HA 0.503 4.965 4.470 -0.014 0.000 0.293 483 S C -2.172 172.380 174.600 -0.080 0.000 1.089 483 S CA -1.768 56.438 58.200 0.010 0.000 0.961 483 S CB 1.886 65.119 63.200 0.056 0.000 1.062 483 S HN -0.130 nan 8.310 nan 0.000 0.483 484 P HA 0.131 nan 4.420 nan 0.000 0.245 484 P C 0.133 177.206 177.300 -0.378 0.000 1.203 484 P CA 0.429 63.296 63.100 -0.388 0.000 0.792 484 P CB 0.105 31.451 31.700 -0.590 0.000 0.997 485 Y N -0.909 119.452 120.300 0.102 0.000 2.396 485 Y HA 0.293 4.835 4.550 -0.014 0.000 0.292 485 Y C 1.680 177.583 175.900 0.005 0.000 1.128 485 Y CA 0.463 58.636 58.100 0.123 0.000 1.194 485 Y CB -0.098 38.482 38.460 0.201 0.000 1.124 485 Y HN -0.165 nan 8.280 nan 0.000 0.543 486 M N -0.320 119.334 119.600 0.091 0.000 2.631 486 M HA 0.313 4.784 4.480 -0.014 0.000 0.288 486 M C -0.981 175.253 176.300 -0.110 0.000 1.260 486 M CA -0.956 54.296 55.300 -0.080 0.000 0.842 486 M CB 2.068 34.645 32.600 -0.037 0.000 1.743 486 M HN -0.176 nan 8.290 nan 0.000 0.461 487 K N 1.754 122.020 120.400 -0.223 0.000 2.267 487 K HA 0.534 4.845 4.320 -0.014 0.000 0.282 487 K C -0.696 175.893 176.600 -0.018 0.000 1.078 487 K CA -0.337 55.875 56.287 -0.125 0.000 0.903 487 K CB 0.722 33.112 32.500 -0.184 0.000 1.111 487 K HN 0.369 nan 8.250 nan 0.000 0.475 488 I N 1.330 121.930 120.570 0.050 0.000 2.822 488 I HA 0.391 4.553 4.170 -0.014 0.000 0.312 488 I C 0.594 176.788 176.117 0.128 0.000 1.011 488 I CA -0.568 60.807 61.300 0.125 0.000 1.105 488 I CB 1.357 39.465 38.000 0.181 0.000 1.291 488 I HN 0.705 nan 8.210 nan 0.000 0.474 489 S N 2.052 117.846 115.700 0.157 0.000 2.627 489 S HA 0.452 4.913 4.470 -0.014 0.000 0.268 489 S C -1.144 173.575 174.600 0.199 0.000 1.130 489 S CA -0.948 57.360 58.200 0.179 0.000 0.819 489 S CB 1.044 64.320 63.200 0.126 0.000 1.100 489 S HN 0.551 nan 8.310 nan 0.000 0.465 490 Y N 0.734 121.123 120.300 0.148 0.000 2.346 490 Y HA 0.643 5.184 4.550 -0.014 0.000 0.330 490 Y C 0.223 176.230 175.900 0.178 0.000 1.178 490 Y CA -0.608 57.581 58.100 0.148 0.000 1.331 490 Y CB 0.541 39.134 38.460 0.222 0.000 1.253 490 Y HN 0.896 nan 8.280 nan 0.000 0.529 491 E N 3.336 123.565 120.200 0.049 0.000 2.105 491 E HA 0.037 4.378 4.350 -0.014 0.000 0.285 491 E C -1.129 175.499 176.600 0.047 0.000 1.055 491 E CA -0.692 55.705 56.400 -0.005 0.000 0.843 491 E CB 0.081 29.835 29.700 0.090 0.000 1.067 491 E HN 0.840 nan 8.360 nan 0.000 0.398 492 H N 3.583 122.540 119.070 -0.188 0.000 3.138 492 H HA 0.165 4.712 4.556 -0.014 0.000 0.275 492 H C 0.487 175.887 175.328 0.121 0.000 0.997 492 H CA 1.673 57.739 56.048 0.030 0.000 1.460 492 H CB 0.227 29.979 29.762 -0.016 0.000 1.524 492 H HN 0.808 nan 8.280 nan 0.000 0.532 493 G N 3.757 112.560 108.800 0.005 0.000 2.546 493 G HA2 -0.149 3.803 3.960 -0.014 0.000 0.285 493 G HA3 -0.149 3.803 3.960 -0.014 0.000 0.285 493 G C 0.554 175.527 174.900 0.121 0.000 1.105 493 G CA -0.121 45.010 45.100 0.051 0.000 1.189 493 G HN 0.977 nan 8.290 nan 0.000 0.534 494 G N -0.261 108.650 108.800 0.184 0.000 2.398 494 G HA2 0.771 4.723 3.960 -0.014 0.000 0.246 494 G HA3 0.771 4.723 3.960 -0.014 0.000 0.246 494 G C 0.370 175.382 174.900 0.187 0.000 1.289 494 G CA 0.660 45.874 45.100 0.191 0.000 0.869 494 G HN 2.001 nan 8.290 nan 0.000 0.543 495 A N 1.397 124.331 122.820 0.189 0.000 2.606 495 A HA 0.710 5.022 4.320 -0.014 0.000 0.293 495 A C -1.730 175.988 177.584 0.223 0.000 1.082 495 A CA -0.658 51.507 52.037 0.214 0.000 0.685 495 A CB 1.667 20.746 19.000 0.132 0.000 1.284 495 A HN 1.219 nan 8.150 nan 0.000 0.408 496 F N 1.800 121.724 119.950 -0.044 0.000 2.507 496 F HA 0.591 5.110 4.527 -0.014 0.000 0.328 496 F C 0.155 175.801 175.800 -0.257 0.000 1.136 496 F CA -0.923 56.986 58.000 -0.151 0.000 0.930 496 F CB 1.466 40.354 39.000 -0.187 0.000 1.166 496 F HN 0.675 nan 8.300 nan 0.000 0.436 497 L N 6.234 126.982 121.223 -0.792 0.000 3.678 497 L HA -0.123 4.209 4.340 -0.014 0.000 0.425 497 L C 0.931 177.534 176.870 -0.444 0.000 1.240 497 L CA 1.541 55.934 54.840 -0.745 0.000 0.876 497 L CB -1.066 40.285 42.059 -1.179 0.000 1.766 497 L HN 1.379 nan 8.230 nan 0.000 0.917 498 G N -2.130 106.517 108.800 -0.256 0.000 2.217 498 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.246 498 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.246 498 G C 0.080 174.909 174.900 -0.118 0.000 0.990 498 G CA 0.192 45.201 45.100 -0.152 0.000 0.627 498 G HN 0.544 nan 8.290 nan 0.000 0.522 499 D N 0.355 120.639 120.400 -0.193 0.000 2.185 499 D HA 0.583 5.215 4.640 -0.014 0.000 0.247 499 D C 0.313 176.626 176.300 0.021 0.000 1.027 499 D CA -0.384 53.541 54.000 -0.126 0.000 0.861 499 D CB 1.821 42.446 40.800 -0.292 0.000 1.202 499 D HN 0.241 nan 8.370 nan 0.000 0.453 500 I N 1.689 122.351 120.570 0.152 0.000 2.396 500 I HA 0.045 4.206 4.170 -0.014 0.000 0.292 500 I C -0.032 176.284 176.117 0.331 0.000 0.999 500 I CA -0.844 60.582 61.300 0.210 0.000 1.310 500 I CB 1.243 39.319 38.000 0.127 0.000 1.404 500 I HN 0.056 nan 8.210 nan 0.000 0.496 501 L N 8.266 129.642 121.223 0.254 0.000 2.342 501 L HA 0.235 4.566 4.340 -0.014 0.000 0.285 501 L C -0.611 176.086 176.870 -0.288 0.000 1.095 501 L CA -0.175 54.561 54.840 -0.173 0.000 0.843 501 L CB 0.518 42.386 42.059 -0.319 0.000 1.201 501 L HN 0.392 nan 8.230 nan 0.000 0.445 502 L N 6.999 128.062 121.223 -0.267 0.000 2.315 502 L HA 0.384 4.715 4.340 -0.014 0.000 0.278 502 L C -0.661 176.121 176.870 -0.147 0.000 1.088 502 L CA -0.080 54.681 54.840 -0.132 0.000 0.899 502 L CB -0.377 41.672 42.059 -0.017 0.000 1.277 502 L HN 0.460 nan 8.230 nan 0.000 0.431 503 Y N 2.392 122.737 120.300 0.076 0.000 2.240 503 Y HA 0.327 4.868 4.550 -0.014 0.000 0.341 503 Y C 1.025 176.997 175.900 0.119 0.000 1.326 503 Y CA -0.217 57.930 58.100 0.077 0.000 1.569 503 Y CB 0.469 38.992 38.460 0.105 0.000 1.426 503 Y HN 0.655 nan 8.280 nan 0.000 0.587 504 D N -2.040 118.527 120.400 0.278 0.000 2.712 504 D HA 0.149 4.780 4.640 -0.014 0.000 0.252 504 D C 0.773 177.147 176.300 0.124 0.000 1.123 504 D CA -0.024 54.087 54.000 0.186 0.000 1.109 504 D CB 0.558 41.432 40.800 0.125 0.000 1.313 504 D HN 0.461 nan 8.370 nan 0.000 0.629 505 S N -0.441 115.298 115.700 0.065 0.000 2.402 505 S HA -0.224 4.237 4.470 -0.014 0.000 0.233 505 S C 1.840 176.441 174.600 0.001 0.000 1.030 505 S CA 0.933 59.134 58.200 0.000 0.000 1.003 505 S CB -0.486 62.716 63.200 0.003 0.000 0.813 505 S HN 0.438 nan 8.310 nan 0.000 0.477 506 R N 0.693 121.215 120.500 0.036 0.000 2.092 506 R HA 0.105 4.436 4.340 -0.014 0.000 0.231 506 R C 0.099 176.412 176.300 0.022 0.000 1.119 506 R CA 0.773 56.893 56.100 0.034 0.000 0.970 506 R CB -0.053 30.281 30.300 0.056 0.000 0.864 506 R HN 0.176 nan 8.270 nan 0.000 0.440 507 R N 0.973 121.499 120.500 0.043 0.000 3.322 507 R HA -0.132 4.200 4.340 -0.014 0.000 0.266 507 R C -1.392 174.841 176.300 -0.111 0.000 1.072 507 R CA 1.004 57.052 56.100 -0.085 0.000 0.715 507 R CB -2.442 27.771 30.300 -0.145 0.000 1.199 507 R HN 0.557 nan 8.270 nan 0.000 0.421 508 E N -0.998 119.277 120.200 0.126 0.000 2.314 508 E HA 0.321 4.663 4.350 -0.014 0.000 0.272 508 E C -2.233 174.562 176.600 0.326 0.000 0.884 508 E CA -2.373 54.133 56.400 0.176 0.000 0.753 508 E CB 1.703 31.482 29.700 0.131 0.000 1.213 508 E HN -0.287 nan 8.360 nan 0.000 0.432 509 P HA -0.197 nan 4.420 nan 0.000 0.222 509 P C 1.089 178.437 177.300 0.080 0.000 1.142 509 P CA 1.442 64.678 63.100 0.227 0.000 0.788 509 P CB 0.172 32.043 31.700 0.285 0.000 0.767 510 G N -0.147 108.720 108.800 0.112 0.000 2.454 510 G HA2 -0.175 3.777 3.960 -0.014 0.000 0.214 510 G HA3 -0.175 3.777 3.960 -0.014 0.000 0.214 510 G C 1.315 176.235 174.900 0.032 0.000 1.217 510 G CA 0.925 46.062 45.100 0.062 0.000 0.799 510 G HN 0.390 nan 8.290 nan 0.000 0.538 511 S N 0.209 115.945 115.700 0.061 0.000 2.660 511 S HA 0.664 5.125 4.470 -0.014 0.000 0.227 511 S C 0.741 175.358 174.600 0.028 0.000 0.948 511 S CA 0.211 58.438 58.200 0.044 0.000 0.948 511 S CB 0.198 63.436 63.200 0.063 0.000 0.779 511 S HN 0.577 nan 8.310 nan 0.000 0.487 512 A N 1.499 124.311 122.820 -0.014 0.000 2.282 512 A HA 0.788 5.100 4.320 -0.014 0.000 0.319 512 A C -0.148 177.292 177.584 -0.239 0.000 1.121 512 A CA -0.909 51.046 52.037 -0.136 0.000 0.836 512 A CB 0.250 19.064 19.000 -0.309 0.000 1.146 512 A HN 0.620 nan 8.150 nan 0.000 0.494 513 I N -2.576 117.839 120.570 -0.259 0.000 3.042 513 I HA 0.680 4.841 4.170 -0.014 0.000 0.310 513 I C -0.878 175.088 176.117 -0.252 0.000 1.117 513 I CA -0.978 60.189 61.300 -0.222 0.000 1.003 513 I CB 1.404 39.363 38.000 -0.068 0.000 1.228 513 I HN 0.484 nan 8.210 nan 0.000 0.443 514 F N 2.689 122.589 119.950 -0.083 0.000 2.420 514 F HA 0.746 5.265 4.527 -0.014 0.000 0.342 514 F C -0.103 175.675 175.800 -0.036 0.000 1.113 514 F CA -0.952 57.006 58.000 -0.069 0.000 1.059 514 F CB 2.042 41.000 39.000 -0.070 0.000 1.128 514 F HN 0.522 nan 8.300 nan 0.000 0.475 515 V N 1.277 121.330 119.914 0.232 0.000 2.808 515 V HA 0.771 4.882 4.120 -0.014 0.000 0.308 515 V C -0.041 176.120 176.094 0.112 0.000 1.099 515 V CA -0.977 61.404 62.300 0.134 0.000 0.920 515 V CB 0.936 32.831 31.823 0.121 0.000 1.014 515 V HN 0.872 nan 8.190 nan 0.000 0.425 516 G N 2.509 111.348 108.800 0.065 0.000 2.460 516 G HA2 0.027 3.979 3.960 -0.014 0.000 0.230 516 G HA3 0.027 3.979 3.960 -0.014 0.000 0.230 516 G C 0.125 175.145 174.900 0.199 0.000 1.248 516 G CA 0.210 45.337 45.100 0.044 0.000 0.863 516 G HN 1.126 nan 8.290 nan 0.000 0.549 517 N N 1.359 120.187 118.700 0.213 0.000 2.430 517 N HA 0.043 4.774 4.740 -0.014 0.000 0.265 517 N C 1.283 176.957 175.510 0.274 0.000 1.100 517 N CA -0.708 52.463 53.050 0.202 0.000 0.961 517 N CB 1.023 39.590 38.487 0.134 0.000 1.075 517 N HN 0.261 nan 8.380 nan 0.000 0.478 518 I N 4.140 124.819 120.570 0.182 0.000 2.226 518 I HA -0.198 3.964 4.170 -0.014 0.000 0.245 518 I C 1.892 178.038 176.117 0.048 0.000 1.100 518 I CA 1.121 62.473 61.300 0.087 0.000 1.374 518 I CB -0.439 37.626 38.000 0.108 0.000 1.057 518 I HN 0.618 nan 8.210 nan 0.000 0.413 519 N N 0.034 118.785 118.700 0.086 0.000 2.104 519 N HA -0.166 4.566 4.740 -0.014 0.000 0.190 519 N C 1.943 177.494 175.510 0.067 0.000 1.024 519 N CA 1.673 54.770 53.050 0.079 0.000 0.853 519 N CB -0.052 38.396 38.487 -0.065 0.000 1.008 519 N HN 0.351 nan 8.380 nan 0.000 0.424 520 S N 1.157 116.904 115.700 0.078 0.000 2.370 520 S HA -0.176 4.285 4.470 -0.014 0.000 0.226 520 S C 1.943 176.557 174.600 0.023 0.000 1.033 520 S CA 1.202 59.472 58.200 0.118 0.000 1.011 520 S CB -0.186 63.159 63.200 0.241 0.000 0.852 520 S HN 0.423 nan 8.310 nan 0.000 0.457 521 M N 1.136 120.552 119.600 -0.306 0.000 2.059 521 M HA -0.103 4.369 4.480 -0.014 0.000 0.259 521 M C 1.930 178.075 176.300 -0.258 0.000 1.072 521 M CA 1.552 56.402 55.300 -0.750 0.000 1.117 521 M CB -0.335 31.380 32.600 -1.475 0.000 1.320 521 M HN 0.245 nan 8.290 nan 0.000 0.408 522 L N 0.802 121.964 121.223 -0.102 0.000 1.971 522 L HA -0.330 4.002 4.340 -0.014 0.000 0.215 522 L C 2.311 179.274 176.870 0.154 0.000 1.072 522 L CA 1.653 56.560 54.840 0.112 0.000 0.758 522 L CB -1.187 41.003 42.059 0.218 0.000 0.889 522 L HN 0.418 nan 8.230 nan 0.000 0.433 523 N N 0.240 119.026 118.700 0.143 0.000 2.094 523 N HA -0.219 4.513 4.740 -0.014 0.000 0.191 523 N C 1.522 177.115 175.510 0.139 0.000 1.023 523 N CA 1.750 54.899 53.050 0.165 0.000 0.857 523 N CB -0.763 37.808 38.487 0.139 0.000 1.013 523 N HN 0.494 nan 8.380 nan 0.000 0.426 524 N N 0.631 119.386 118.700 0.092 0.000 2.120 524 N HA -0.115 4.617 4.740 -0.014 0.000 0.188 524 N C 1.638 177.186 175.510 0.063 0.000 1.024 524 N CA 0.725 53.834 53.050 0.097 0.000 0.852 524 N CB -0.070 38.491 38.487 0.124 0.000 1.003 524 N HN 0.408 nan 8.380 nan 0.000 0.424 525 Q N -0.459 119.308 119.800 -0.055 0.000 2.187 525 Q HA 0.004 4.335 4.340 -0.014 0.000 0.199 525 Q C 0.556 176.404 176.000 -0.255 0.000 0.957 525 Q CA 0.993 56.668 55.803 -0.213 0.000 0.857 525 Q CB 0.246 28.633 28.738 -0.586 0.000 0.929 525 Q HN 0.411 nan 8.270 nan 0.000 0.453 526 F N -1.845 118.363 119.950 0.431 0.000 2.688 526 F HA 0.286 4.805 4.527 -0.014 0.000 0.310 526 F C 0.494 176.564 175.800 0.450 0.000 1.098 526 F CA -0.289 58.055 58.000 0.573 0.000 1.228 526 F CB 1.306 40.624 39.000 0.530 0.000 1.042 526 F HN -0.296 nan 8.300 nan 0.000 0.557 527 S N 0.306 116.236 115.700 0.383 0.000 2.569 527 S HA 0.276 4.738 4.470 -0.014 0.000 0.215 527 S C -2.543 172.165 174.600 0.181 0.000 1.096 527 S CA -0.959 57.420 58.200 0.299 0.000 1.183 527 S CB 0.098 63.468 63.200 0.283 0.000 1.324 527 S HN -0.168 nan 8.310 nan 0.000 0.421 528 P HA 0.011 nan 4.420 nan 0.000 0.267 528 P C 0.683 178.024 177.300 0.068 0.000 1.195 528 P CA 0.243 63.390 63.100 0.078 0.000 0.773 528 P CB 0.533 32.233 31.700 -0.000 0.000 0.837 529 E N 0.579 120.828 120.200 0.082 0.000 2.230 529 E HA -0.066 4.276 4.350 -0.014 0.000 0.192 529 E C -0.104 176.317 176.600 -0.299 0.000 0.987 529 E CA 1.162 57.508 56.400 -0.090 0.000 0.841 529 E CB -0.057 29.605 29.700 -0.063 0.000 0.783 529 E HN 0.518 nan 8.360 nan 0.000 0.481 530 Y N -0.361 119.930 120.300 -0.015 0.000 2.605 530 Y HA 0.523 5.064 4.550 -0.014 0.000 0.343 530 Y C 0.822 176.688 175.900 -0.057 0.000 1.036 530 Y CA -1.118 56.961 58.100 -0.035 0.000 1.065 530 Y CB 0.945 39.384 38.460 -0.035 0.000 1.288 530 Y HN -0.180 nan 8.280 nan 0.000 0.481 531 G N -0.052 108.804 108.800 0.093 0.000 2.535 531 G HA2 0.377 4.329 3.960 -0.014 0.000 0.282 531 G HA3 0.377 4.329 3.960 -0.014 0.000 0.282 531 G C 0.641 175.533 174.900 -0.014 0.000 1.350 531 G CA -0.144 44.960 45.100 0.007 0.000 1.039 531 G HN 0.836 nan 8.290 nan 0.000 0.509 532 V N -3.270 116.613 119.914 -0.050 0.000 3.573 532 V HA 0.154 4.266 4.120 -0.014 0.000 0.270 532 V C 0.900 176.955 176.094 -0.065 0.000 1.221 532 V CA 0.925 63.186 62.300 -0.064 0.000 1.163 532 V CB -1.421 30.369 31.823 -0.054 0.000 0.847 532 V HN 0.736 nan 8.190 nan 0.000 0.468 533 Q N 1.363 121.136 119.800 -0.046 0.000 2.431 533 Q HA -0.224 4.108 4.340 -0.014 0.000 0.344 533 Q C 1.353 177.320 176.000 -0.055 0.000 1.384 533 Q CA 0.614 56.387 55.803 -0.049 0.000 0.984 533 Q CB -1.585 27.116 28.738 -0.062 0.000 1.204 533 Q HN 0.958 nan 8.270 nan 0.000 0.392 534 S N -2.190 113.485 115.700 -0.042 0.000 2.507 534 S HA -0.095 4.366 4.470 -0.014 0.000 0.235 534 S C 1.793 176.376 174.600 -0.030 0.000 0.988 534 S CA 0.526 58.704 58.200 -0.037 0.000 0.944 534 S CB 0.142 63.330 63.200 -0.022 0.000 0.762 534 S HN 0.724 nan 8.310 nan 0.000 0.526 535 G N 1.813 110.596 108.800 -0.029 0.000 2.404 535 G HA2 -0.022 3.929 3.960 -0.014 0.000 0.215 535 G HA3 -0.022 3.929 3.960 -0.014 0.000 0.215 535 G C 0.512 175.398 174.900 -0.024 0.000 1.174 535 G CA 0.193 45.279 45.100 -0.023 0.000 0.780 535 G HN 0.446 nan 8.290 nan 0.000 0.537 536 V N 2.802 122.696 119.914 -0.034 0.000 2.434 536 V HA 0.045 4.156 4.120 -0.014 0.000 0.281 536 V C 1.606 177.685 176.094 -0.024 0.000 1.005 536 V CA -0.295 61.985 62.300 -0.034 0.000 1.089 536 V CB 0.808 32.599 31.823 -0.053 0.000 0.978 536 V HN 0.252 nan 8.190 nan 0.000 0.474 537 R N 2.690 123.188 120.500 -0.004 0.000 2.080 537 R HA -0.074 4.258 4.340 -0.014 0.000 0.236 537 R C 1.014 177.351 176.300 0.062 0.000 1.137 537 R CA 0.903 57.016 56.100 0.022 0.000 0.943 537 R CB -0.490 29.821 30.300 0.018 0.000 0.846 537 R HN 0.795 nan 8.270 nan 0.000 0.431 538 D N 1.332 121.769 120.400 0.061 0.000 2.344 538 D HA 0.008 4.640 4.640 -0.014 0.000 0.253 538 D C 0.682 177.015 176.300 0.055 0.000 1.255 538 D CA 0.084 54.167 54.000 0.139 0.000 0.894 538 D CB 0.568 41.426 40.800 0.097 0.000 1.067 538 D HN 0.022 nan 8.370 nan 0.000 0.492 539 R N 1.569 122.075 120.500 0.010 0.000 2.152 539 R HA -0.107 4.225 4.340 -0.014 0.000 0.232 539 R C 2.006 178.046 176.300 -0.432 0.000 1.117 539 R CA 1.237 57.090 56.100 -0.410 0.000 0.981 539 R CB -0.055 29.697 30.300 -0.914 0.000 0.870 539 R HN 0.437 nan 8.270 nan 0.000 0.451 540 S N 0.371 115.949 115.700 -0.202 0.000 2.603 540 S HA -0.005 4.457 4.470 -0.014 0.000 0.229 540 S C 1.426 175.975 174.600 -0.085 0.000 0.972 540 S CA 0.598 58.733 58.200 -0.108 0.000 0.935 540 S CB 0.148 63.397 63.200 0.080 0.000 0.769 540 S HN 0.227 nan 8.310 nan 0.000 0.536 541 K N 0.413 120.763 120.400 -0.084 0.000 2.358 541 K HA 0.235 4.547 4.320 -0.014 0.000 0.197 541 K C 0.437 176.966 176.600 -0.118 0.000 1.025 541 K CA -0.175 56.065 56.287 -0.078 0.000 1.104 541 K CB 0.390 32.863 32.500 -0.044 0.000 0.855 541 K HN 0.373 nan 8.250 nan 0.000 0.531 542 R N 0.746 121.147 120.500 -0.165 0.000 2.577 542 R HA 0.161 4.493 4.340 -0.014 0.000 0.269 542 R C 1.032 177.204 176.300 -0.214 0.000 1.084 542 R CA -0.499 55.491 56.100 -0.183 0.000 1.163 542 R CB 0.477 30.645 30.300 -0.219 0.000 1.100 542 R HN -0.197 nan 8.270 nan 0.000 0.547 543 K N 1.497 121.752 120.400 -0.241 0.000 2.155 543 K HA -0.061 4.250 4.320 -0.014 0.000 0.203 543 K C 0.437 176.889 176.600 -0.247 0.000 1.052 543 K CA 1.347 57.423 56.287 -0.352 0.000 0.948 543 K CB 0.115 32.245 32.500 -0.617 0.000 0.728 543 K HN 0.416 nan 8.250 nan 0.000 0.448 544 R N 0.560 120.944 120.500 -0.193 0.000 2.564 544 R HA 0.184 4.515 4.340 -0.014 0.000 0.282 544 R C -2.174 173.977 176.300 -0.248 0.000 1.573 544 R CA -1.451 54.558 56.100 -0.151 0.000 1.588 544 R CB 1.059 31.307 30.300 -0.087 0.000 1.154 544 R HN -0.109 nan 8.270 nan 0.000 0.606 545 P HA -0.188 nan 4.420 nan 0.000 0.214 545 P C -0.251 176.385 177.300 -1.107 0.000 1.169 545 P CA 1.475 64.102 63.100 -0.788 0.000 0.908 545 P CB 0.217 31.506 31.700 -0.684 0.000 0.791 546 F N -3.736 116.146 119.950 -0.113 0.000 2.531 546 F HA 0.356 4.875 4.527 -0.014 0.000 0.333 546 F C -1.822 173.962 175.800 -0.027 0.000 1.292 546 F CA -2.151 55.798 58.000 -0.085 0.000 1.184 546 F CB 0.853 39.791 39.000 -0.104 0.000 1.426 546 F HN -0.075 nan 8.300 nan 0.000 0.559 547 P HA -0.222 nan 4.420 nan 0.000 0.217 547 P C 1.989 179.391 177.300 0.169 0.000 1.158 547 P CA 2.117 65.297 63.100 0.134 0.000 0.887 547 P CB 0.235 32.017 31.700 0.137 0.000 0.792 548 G N -0.236 108.633 108.800 0.114 0.000 2.469 548 G HA2 -0.261 3.690 3.960 -0.014 0.000 0.219 548 G HA3 -0.261 3.690 3.960 -0.014 0.000 0.219 548 G C 1.431 176.387 174.900 0.094 0.000 1.150 548 G CA 0.791 45.917 45.100 0.044 0.000 0.763 548 G HN 0.241 nan 8.290 nan 0.000 0.561 549 L N 0.728 122.017 121.223 0.110 0.000 2.079 549 L HA -0.115 4.217 4.340 -0.014 0.000 0.210 549 L C 3.366 180.307 176.870 0.120 0.000 1.081 549 L CA 1.033 55.927 54.840 0.089 0.000 0.752 549 L CB -0.805 41.282 42.059 0.047 0.000 0.896 549 L HN 0.291 nan 8.230 nan 0.000 0.433 550 A N -0.040 122.867 122.820 0.145 0.000 2.054 550 A HA -0.284 4.027 4.320 -0.014 0.000 0.223 550 A C 2.165 179.858 177.584 0.182 0.000 1.169 550 A CA 1.796 53.928 52.037 0.158 0.000 0.655 550 A CB -1.113 18.002 19.000 0.191 0.000 0.812 550 A HN 0.761 nan 8.150 nan 0.000 0.462 551 W N 0.366 121.667 121.300 0.002 0.000 2.363 551 W HA -0.161 4.490 4.660 -0.014 0.000 0.296 551 W C 2.290 178.811 176.519 0.002 0.000 1.212 551 W CA 1.702 59.033 57.345 -0.023 0.000 1.260 551 W CB -0.235 29.162 29.460 -0.106 0.000 1.131 551 W HN 0.457 nan 8.180 nan 0.000 0.530 552 A N 0.851 123.707 122.820 0.060 0.000 1.877 552 A HA -0.244 4.067 4.320 -0.014 0.000 0.216 552 A C 1.957 179.490 177.584 -0.085 0.000 1.186 552 A CA 2.531 54.547 52.037 -0.034 0.000 0.620 552 A CB -1.329 17.676 19.000 0.008 0.000 0.822 552 A HN 0.336 nan 8.150 nan 0.000 0.443 553 S N -0.794 114.878 115.700 -0.047 0.000 2.607 553 S HA 0.028 4.490 4.470 -0.014 0.000 0.224 553 S C 1.698 176.280 174.600 -0.029 0.000 0.969 553 S CA 0.933 59.102 58.200 -0.051 0.000 0.927 553 S CB -0.470 62.704 63.200 -0.044 0.000 0.772 553 S HN 0.589 nan 8.310 nan 0.000 0.533 554 M N 1.857 121.428 119.600 -0.049 0.000 2.059 554 M HA -0.126 4.346 4.480 -0.014 0.000 0.259 554 M C 2.239 178.616 176.300 0.129 0.000 1.072 554 M CA 2.107 57.429 55.300 0.036 0.000 1.117 554 M CB -0.275 32.201 32.600 -0.207 0.000 1.320 554 M HN 0.308 nan 8.290 nan 0.000 0.408 555 K N 0.678 121.082 120.400 0.007 0.000 2.103 555 K HA -0.248 4.064 4.320 -0.014 0.000 0.207 555 K C 1.791 178.397 176.600 0.009 0.000 1.048 555 K CA 2.236 58.551 56.287 0.047 0.000 0.930 555 K CB -0.570 31.868 32.500 -0.103 0.000 0.716 555 K HN 0.567 nan 8.250 nan 0.000 0.444 556 D N -0.759 119.624 120.400 -0.029 0.000 2.077 556 D HA -0.145 4.487 4.640 -0.014 0.000 0.193 556 D C 1.480 177.749 176.300 -0.051 0.000 0.989 556 D CA 1.906 55.876 54.000 -0.051 0.000 0.831 556 D CB -0.268 40.489 40.800 -0.070 0.000 0.979 556 D HN 0.249 nan 8.370 nan 0.000 0.449 557 T N -0.677 113.819 114.554 -0.096 0.000 2.652 557 T HA -0.186 4.156 4.350 -0.014 0.000 0.267 557 T C 1.547 176.046 174.700 -0.336 0.000 1.039 557 T CA 1.428 63.360 62.100 -0.280 0.000 1.153 557 T CB -0.432 68.141 68.868 -0.491 0.000 0.863 557 T HN 0.297 nan 8.240 nan 0.000 0.428 558 Y N 0.401 120.785 120.300 0.141 0.000 2.457 558 Y HA 0.348 4.890 4.550 -0.014 0.000 0.263 558 Y C 2.343 178.489 175.900 0.410 0.000 1.164 558 Y CA -0.431 57.798 58.100 0.215 0.000 1.274 558 Y CB -0.503 38.026 38.460 0.115 0.000 1.097 558 Y HN 0.216 nan 8.280 nan 0.000 0.523 559 G N 1.169 110.157 108.800 0.313 0.000 2.631 559 G HA2 -0.406 3.545 3.960 -0.014 0.000 0.219 559 G HA3 -0.406 3.545 3.960 -0.014 0.000 0.219 559 G C 1.960 176.860 174.900 -0.000 0.000 1.214 559 G CA 1.362 46.418 45.100 -0.073 0.000 0.785 559 G HN 0.445 nan 8.290 nan 0.000 0.596 560 A N -0.785 122.061 122.820 0.044 0.000 2.148 560 A HA -0.064 4.248 4.320 -0.014 0.000 0.222 560 A C 1.722 179.375 177.584 0.115 0.000 1.161 560 A CA 1.146 53.217 52.037 0.057 0.000 0.662 560 A CB -1.111 17.921 19.000 0.053 0.000 0.799 560 A HN 0.559 nan 8.150 nan 0.000 0.466 561 C N -0.313 119.112 119.300 0.207 0.000 2.657 561 C HA 0.287 4.739 4.460 -0.014 0.000 0.420 561 C C -0.359 174.747 174.990 0.193 0.000 1.323 561 C CA -1.102 58.045 59.018 0.215 0.000 1.894 561 C CB 0.365 28.269 27.740 0.273 0.000 2.681 561 C HN 0.430 nan 8.230 nan 0.000 0.613 562 P HA -0.110 nan 4.420 nan 0.000 0.210 562 P C 1.044 178.452 177.300 0.179 0.000 1.189 562 P CA 1.739 64.927 63.100 0.147 0.000 0.920 562 P CB -0.128 31.652 31.700 0.134 0.000 0.782 563 I N -4.539 116.137 120.570 0.176 0.000 3.616 563 I HA -0.018 4.143 4.170 -0.014 0.000 0.306 563 I C 1.829 178.011 176.117 0.109 0.000 1.232 563 I CA 0.170 61.561 61.300 0.153 0.000 1.182 563 I CB -0.952 37.064 38.000 0.027 0.000 1.007 563 I HN -0.123 nan 8.210 nan 0.000 0.479 564 Y N 3.273 123.592 120.300 0.032 0.000 1.978 564 Y HA -0.413 4.129 4.550 -0.014 0.000 0.247 564 Y C 2.819 178.732 175.900 0.022 0.000 1.102 564 Y CA 2.315 60.430 58.100 0.025 0.000 1.069 564 Y CB -0.991 37.500 38.460 0.051 0.000 0.954 564 Y HN 0.515 nan 8.280 nan 0.000 0.488 565 S N 0.273 116.341 115.700 0.613 0.000 2.426 565 S HA -0.403 4.059 4.470 -0.014 0.000 0.253 565 S C 1.621 176.364 174.600 0.237 0.000 1.104 565 S CA 2.110 60.542 58.200 0.386 0.000 1.158 565 S CB -1.477 61.849 63.200 0.210 0.000 1.043 565 S HN 0.683 nan 8.310 nan 0.000 0.443 566 D N 1.685 122.201 120.400 0.194 0.000 2.103 566 D HA -0.080 4.552 4.640 -0.014 0.000 0.190 566 D C 2.126 178.470 176.300 0.073 0.000 0.997 566 D CA 1.499 55.608 54.000 0.181 0.000 0.833 566 D CB -0.828 40.139 40.800 0.277 0.000 0.961 566 D HN 0.343 nan 8.370 nan 0.000 0.447 567 V N 0.902 120.757 119.914 -0.099 0.000 2.250 567 V HA -0.270 3.842 4.120 -0.014 0.000 0.250 567 V C 2.517 178.589 176.094 -0.035 0.000 1.060 567 V CA 1.405 63.598 62.300 -0.179 0.000 1.030 567 V CB -0.661 30.984 31.823 -0.295 0.000 0.643 567 V HN 0.308 nan 8.190 nan 0.000 0.445 568 L N -0.504 120.716 121.223 -0.006 0.000 2.189 568 L HA -0.245 4.086 4.340 -0.014 0.000 0.214 568 L C 2.529 179.500 176.870 0.169 0.000 1.097 568 L CA 1.767 56.672 54.840 0.109 0.000 0.764 568 L CB -0.582 41.574 42.059 0.162 0.000 0.900 568 L HN 0.521 nan 8.230 nan 0.000 0.436 569 E N -0.333 119.952 120.200 0.141 0.000 2.060 569 E HA -0.080 4.262 4.350 -0.014 0.000 0.189 569 E C 2.336 178.998 176.600 0.104 0.000 0.974 569 E CA 0.813 57.294 56.400 0.136 0.000 0.808 569 E CB -0.098 29.680 29.700 0.130 0.000 0.768 569 E HN 0.425 nan 8.360 nan 0.000 0.453 570 A N 1.587 124.456 122.820 0.082 0.000 1.927 570 A HA -0.249 4.063 4.320 -0.014 0.000 0.220 570 A C 2.147 179.761 177.584 0.049 0.000 1.185 570 A CA 1.400 53.437 52.037 -0.000 0.000 0.639 570 A CB -0.796 18.255 19.000 0.085 0.000 0.820 570 A HN 0.156 nan 8.150 nan 0.000 0.451 571 I N -1.316 119.328 120.570 0.124 0.000 2.072 571 I HA -0.252 3.910 4.170 -0.014 0.000 0.235 571 I C 2.549 178.840 176.117 0.290 0.000 1.058 571 I CA 1.806 63.248 61.300 0.236 0.000 1.320 571 I CB -0.646 37.480 38.000 0.209 0.000 1.047 571 I HN 0.390 nan 8.210 nan 0.000 0.397 572 E N 1.297 121.655 120.200 0.262 0.000 2.149 572 E HA -0.321 4.021 4.350 -0.014 0.000 0.215 572 E C 2.083 178.884 176.600 0.336 0.000 1.055 572 E CA 2.137 58.717 56.400 0.301 0.000 0.870 572 E CB -0.307 29.538 29.700 0.242 0.000 0.764 572 E HN 0.279 nan 8.360 nan 0.000 0.463 573 R N -0.528 120.107 120.500 0.226 0.000 2.107 573 R HA -0.138 4.194 4.340 -0.014 0.000 0.223 573 R C 2.509 178.981 176.300 0.287 0.000 1.138 573 R CA 2.122 58.335 56.100 0.189 0.000 0.900 573 R CB -1.122 29.194 30.300 0.027 0.000 0.814 573 R HN 0.388 nan 8.270 nan 0.000 0.437 574 C N 0.246 119.683 119.300 0.229 0.000 2.397 574 C HA -0.202 4.249 4.460 -0.014 0.000 0.279 574 C C 2.402 177.697 174.990 0.507 0.000 1.206 574 C CA 0.843 60.055 59.018 0.324 0.000 1.818 574 C CB -1.587 26.317 27.740 0.273 0.000 2.087 574 C HN 0.698 nan 8.230 nan 0.000 0.488 575 W N -0.672 120.765 121.300 0.229 0.000 2.413 575 W HA -0.120 4.531 4.660 -0.014 0.000 0.315 575 W C 2.587 179.198 176.519 0.154 0.000 1.186 575 W CA 1.319 58.603 57.345 -0.102 0.000 1.326 575 W CB -1.144 28.111 29.460 -0.342 0.000 1.153 575 W HN 0.516 nan 8.180 nan 0.000 0.489 576 W N 2.483 123.985 121.300 0.337 0.000 2.325 576 W HA -0.288 4.364 4.660 -0.014 0.000 0.299 576 W C 2.351 178.919 176.519 0.082 0.000 1.215 576 W CA 2.311 59.784 57.345 0.213 0.000 1.244 576 W CB -0.801 28.767 29.460 0.180 0.000 1.140 576 W HN -0.131 nan 8.180 nan 0.000 0.523 577 N N 0.202 119.157 118.700 0.426 0.000 2.104 577 N HA -0.169 4.563 4.740 -0.014 0.000 0.190 577 N C 1.449 176.946 175.510 -0.023 0.000 1.024 577 N CA 2.064 55.273 53.050 0.265 0.000 0.853 577 N CB -0.502 38.107 38.487 0.204 0.000 1.008 577 N HN 0.229 nan 8.380 nan 0.000 0.424 578 A N -1.950 120.778 122.820 -0.153 0.000 2.348 578 A HA 0.279 4.590 4.320 -0.014 0.000 0.224 578 A C 0.851 177.937 177.584 -0.830 0.000 1.227 578 A CA -0.132 51.641 52.037 -0.440 0.000 0.885 578 A CB 0.082 18.812 19.000 -0.451 0.000 0.933 578 A HN 0.230 nan 8.150 nan 0.000 0.506 579 F N -2.344 117.268 119.950 -0.564 0.000 2.834 579 F HA 0.357 4.876 4.527 -0.014 0.000 0.332 579 F C 1.887 177.355 175.800 -0.553 0.000 1.056 579 F CA 0.518 58.159 58.000 -0.599 0.000 1.178 579 F CB 0.787 39.268 39.000 -0.866 0.000 1.037 579 F HN 0.309 nan 8.300 nan 0.000 0.580 580 G N 0.517 108.939 108.800 -0.630 0.000 2.347 580 G HA2 -0.287 3.665 3.960 -0.014 0.000 0.247 580 G HA3 -0.287 3.665 3.960 -0.014 0.000 0.247 580 G C 0.435 174.819 174.900 -0.860 0.000 1.037 580 G CA 0.380 44.909 45.100 -0.953 0.000 0.622 580 G HN 0.368 nan 8.290 nan 0.000 0.521 581 E N 0.495 120.479 120.200 -0.361 0.000 2.351 581 E HA 0.517 4.859 4.350 -0.014 0.000 0.255 581 E C 0.397 177.095 176.600 0.163 0.000 1.188 581 E CA 0.202 56.573 56.400 -0.047 0.000 0.940 581 E CB 0.930 30.713 29.700 0.137 0.000 1.094 581 E HN 0.454 nan 8.360 nan 0.000 0.474 582 S N 0.098 115.987 115.700 0.315 0.000 2.456 582 S HA 0.113 4.574 4.470 -0.014 0.000 0.316 582 S C 0.322 175.026 174.600 0.173 0.000 1.089 582 S CA -0.689 57.759 58.200 0.414 0.000 1.101 582 S CB 0.494 63.889 63.200 0.324 0.000 0.995 582 S HN 0.702 nan 8.310 nan 0.000 0.468 583 Y N 4.482 124.698 120.300 -0.141 0.000 2.128 583 Y HA -0.231 4.311 4.550 -0.014 0.000 0.284 583 Y C 2.561 178.200 175.900 -0.434 0.000 1.154 583 Y CA 2.047 59.709 58.100 -0.730 0.000 1.149 583 Y CB -0.161 37.805 38.460 -0.823 0.000 0.976 583 Y HN 0.807 nan 8.280 nan 0.000 0.505 584 R N 0.696 121.111 120.500 -0.141 0.000 2.133 584 R HA -0.290 4.042 4.340 -0.014 0.000 0.245 584 R C 2.310 178.387 176.300 -0.372 0.000 1.137 584 R CA 1.930 57.926 56.100 -0.174 0.000 0.947 584 R CB -1.033 29.320 30.300 0.088 0.000 0.865 584 R HN 0.498 nan 8.270 nan 0.000 0.437 585 A N -0.614 122.083 122.820 -0.206 0.000 1.841 585 A HA -0.244 4.068 4.320 -0.014 0.000 0.216 585 A C 2.028 179.417 177.584 -0.325 0.000 1.199 585 A CA 1.699 53.626 52.037 -0.183 0.000 0.621 585 A CB -1.339 17.634 19.000 -0.045 0.000 0.835 585 A HN 0.557 nan 8.150 nan 0.000 0.445 586 Y N 0.881 120.895 120.300 -0.477 0.000 1.967 586 Y HA -0.367 4.175 4.550 -0.014 0.000 0.255 586 Y C 2.557 178.012 175.900 -0.741 0.000 1.197 586 Y CA 2.812 60.577 58.100 -0.559 0.000 1.088 586 Y CB -0.317 37.733 38.460 -0.683 0.000 0.917 586 Y HN 0.256 nan 8.280 nan 0.000 0.497 587 R N 0.332 120.132 120.500 -1.166 0.000 2.159 587 R HA -0.174 4.158 4.340 -0.014 0.000 0.237 587 R C 2.138 177.774 176.300 -1.108 0.000 1.131 587 R CA 1.587 56.827 56.100 -1.433 0.000 0.982 587 R CB -0.801 28.002 30.300 -2.495 0.000 0.868 587 R HN 0.529 nan 8.270 nan 0.000 0.453 588 E N 0.629 120.315 120.200 -0.856 0.000 2.106 588 E HA -0.134 4.208 4.350 -0.014 0.000 0.192 588 E C 1.245 177.659 176.600 -0.310 0.000 0.984 588 E CA 1.392 57.528 56.400 -0.439 0.000 0.806 588 E CB 0.075 29.626 29.700 -0.249 0.000 0.750 588 E HN 0.256 nan 8.360 nan 0.000 0.458 589 D N -0.206 119.986 120.400 -0.345 0.000 2.091 589 D HA -0.165 4.466 4.640 -0.014 0.000 0.199 589 D C 1.925 178.057 176.300 -0.279 0.000 0.980 589 D CA 1.062 54.906 54.000 -0.259 0.000 0.831 589 D CB -0.454 40.195 40.800 -0.251 0.000 0.987 589 D HN 0.188 nan 8.370 nan 0.000 0.460 590 M N 0.586 119.930 119.600 -0.426 0.000 2.089 590 M HA -0.213 4.259 4.480 -0.014 0.000 0.257 590 M C 2.057 178.220 176.300 -0.227 0.000 1.071 590 M CA 1.459 56.530 55.300 -0.382 0.000 1.096 590 M CB -0.265 31.982 32.600 -0.589 0.000 1.330 590 M HN 0.083 nan 8.290 nan 0.000 0.403 591 L N -0.062 121.021 121.223 -0.233 0.000 1.970 591 L HA -0.287 4.045 4.340 -0.014 0.000 0.212 591 L C 2.529 179.357 176.870 -0.069 0.000 1.071 591 L CA 2.007 56.792 54.840 -0.092 0.000 0.751 591 L CB -0.495 41.549 42.059 -0.024 0.000 0.889 591 L HN 0.412 nan 8.230 nan 0.000 0.432 592 K N -0.579 119.768 120.400 -0.088 0.000 2.020 592 K HA -0.286 4.025 4.320 -0.014 0.000 0.212 592 K C 2.246 178.813 176.600 -0.055 0.000 1.050 592 K CA 2.003 58.251 56.287 -0.064 0.000 0.929 592 K CB -0.095 32.362 32.500 -0.071 0.000 0.714 592 K HN 0.200 nan 8.250 nan 0.000 0.443 593 R N 0.601 121.060 120.500 -0.068 0.000 2.088 593 R HA -0.159 4.172 4.340 -0.014 0.000 0.232 593 R C 2.040 178.338 176.300 -0.003 0.000 1.136 593 R CA 2.193 58.269 56.100 -0.040 0.000 0.926 593 R CB -0.336 29.929 30.300 -0.059 0.000 0.837 593 R HN 0.214 nan 8.270 nan 0.000 0.429 594 D N -0.751 119.654 120.400 0.007 0.000 2.158 594 D HA -0.139 4.493 4.640 -0.014 0.000 0.197 594 D C 1.742 178.039 176.300 -0.006 0.000 0.995 594 D CA 1.634 55.683 54.000 0.081 0.000 0.846 594 D CB -0.272 40.596 40.800 0.114 0.000 0.941 594 D HN 0.268 nan 8.370 nan 0.000 0.456 595 T N 0.535 115.061 114.554 -0.046 0.000 2.788 595 T HA -0.092 4.249 4.350 -0.014 0.000 0.268 595 T C 2.172 176.824 174.700 -0.079 0.000 1.044 595 T CA 0.568 62.615 62.100 -0.088 0.000 1.139 595 T CB -0.149 68.682 68.868 -0.062 0.000 0.867 595 T HN 0.150 nan 8.240 nan 0.000 0.454 596 L N 0.406 121.609 121.223 -0.035 0.000 1.988 596 L HA -0.059 4.273 4.340 -0.014 0.000 0.207 596 L C 2.841 179.722 176.870 0.019 0.000 1.071 596 L CA 1.259 56.092 54.840 -0.013 0.000 0.744 596 L CB -0.511 41.548 42.059 -0.001 0.000 0.893 596 L HN 0.143 nan 8.230 nan 0.000 0.433 597 E N 0.494 120.736 120.200 0.069 0.000 2.086 597 E HA -0.288 4.054 4.350 -0.014 0.000 0.200 597 E C 1.966 178.684 176.600 0.196 0.000 1.012 597 E CA 1.488 58.002 56.400 0.191 0.000 0.812 597 E CB -0.455 29.414 29.700 0.282 0.000 0.743 597 E HN 0.224 nan 8.360 nan 0.000 0.453 598 L N 0.662 121.807 121.223 -0.130 0.000 1.997 598 L HA -0.266 4.066 4.340 -0.014 0.000 0.216 598 L C 2.318 179.121 176.870 -0.111 0.000 1.074 598 L CA 2.745 57.290 54.840 -0.492 0.000 0.763 598 L CB -1.312 40.308 42.059 -0.731 0.000 0.890 598 L HN 0.312 nan 8.230 nan 0.000 0.434 599 S N -0.716 114.941 115.700 -0.072 0.000 2.440 599 S HA -0.305 4.157 4.470 -0.014 0.000 0.240 599 S C 2.201 176.816 174.600 0.024 0.000 1.014 599 S CA 1.345 59.527 58.200 -0.029 0.000 0.980 599 S CB -0.814 62.366 63.200 -0.033 0.000 0.775 599 S HN 0.655 nan 8.310 nan 0.000 0.499 600 R N -0.393 120.162 120.500 0.092 0.000 2.075 600 R HA -0.058 4.274 4.340 -0.014 0.000 0.232 600 R C 1.581 177.865 176.300 -0.027 0.000 1.126 600 R CA 1.512 57.633 56.100 0.035 0.000 0.963 600 R CB -0.341 29.990 30.300 0.052 0.000 0.858 600 R HN 0.569 nan 8.270 nan 0.000 0.435 601 Y N -0.254 120.055 120.300 0.014 0.000 2.475 601 Y HA 0.118 4.660 4.550 -0.014 0.000 0.289 601 Y C 0.568 176.461 175.900 -0.011 0.000 1.121 601 Y CA 0.006 58.126 58.100 0.033 0.000 1.257 601 Y CB 0.385 38.919 38.460 0.124 0.000 1.026 601 Y HN -0.201 nan 8.280 nan 0.000 0.555 602 V N 0.408 120.378 119.914 0.093 0.000 2.407 602 V HA 0.435 4.547 4.120 -0.014 0.000 0.278 602 V C 0.898 176.990 176.094 -0.002 0.000 1.037 602 V CA -0.392 61.921 62.300 0.022 0.000 0.900 602 V CB 0.851 32.657 31.823 -0.028 0.000 0.983 602 V HN 0.270 nan 8.190 nan 0.000 0.459 603 A N 4.691 127.507 122.820 -0.007 0.000 1.823 603 A HA -0.099 4.213 4.320 -0.014 0.000 0.214 603 A C 2.416 179.987 177.584 -0.022 0.000 1.227 603 A CA 1.964 53.991 52.037 -0.017 0.000 0.616 603 A CB -1.138 17.852 19.000 -0.017 0.000 0.874 603 A HN 1.132 nan 8.150 nan 0.000 0.455 604 S N -0.318 115.368 115.700 -0.023 0.000 2.399 604 S HA -0.197 4.265 4.470 -0.014 0.000 0.235 604 S C 1.145 175.727 174.600 -0.030 0.000 1.063 604 S CA 1.389 59.574 58.200 -0.026 0.000 1.070 604 S CB -0.838 62.345 63.200 -0.028 0.000 0.904 604 S HN 0.433 nan 8.310 nan 0.000 0.456 605 M N 2.871 122.451 119.600 -0.034 0.000 2.734 605 M HA 0.149 4.621 4.480 -0.014 0.000 0.356 605 M C 0.739 177.018 176.300 -0.034 0.000 1.790 605 M CA 0.112 55.387 55.300 -0.041 0.000 1.231 605 M CB -1.018 31.551 32.600 -0.052 0.000 2.102 605 M HN 0.502 nan 8.290 nan 0.000 0.463 606 A N 5.159 127.960 122.820 -0.032 0.000 2.587 606 A HA -0.067 4.244 4.320 -0.014 0.000 0.235 606 A C 0.897 178.465 177.584 -0.027 0.000 1.044 606 A CA 0.232 52.253 52.037 -0.027 0.000 0.754 606 A CB 0.032 19.017 19.000 -0.026 0.000 0.968 606 A HN 0.845 nan 8.150 nan 0.000 0.509 607 R N 0.870 121.355 120.500 -0.024 0.000 3.345 607 R HA -0.039 4.293 4.340 -0.014 0.000 0.211 607 R C 0.527 176.815 176.300 -0.020 0.000 1.921 607 R CA 1.098 57.185 56.100 -0.021 0.000 1.609 607 R CB -0.364 29.925 30.300 -0.019 0.000 1.039 607 R HN 0.876 nan 8.270 nan 0.000 0.537 608 Q N -2.559 117.227 119.800 -0.025 0.000 1.262 608 Q HA 0.083 4.415 4.340 -0.014 0.000 0.128 608 Q C -0.704 175.279 176.000 -0.030 0.000 0.660 608 Q CA 0.054 55.842 55.803 -0.026 0.000 0.607 608 Q CB 0.181 28.907 28.738 -0.020 0.000 1.076 608 Q HN 0.375 nan 8.270 nan 0.000 0.323 609 A N 0.962 123.763 122.820 -0.032 0.000 2.520 609 A HA 0.525 4.836 4.320 -0.014 0.000 0.235 609 A C 0.862 178.422 177.584 -0.040 0.000 1.065 609 A CA 0.884 52.901 52.037 -0.033 0.000 0.764 609 A CB 0.084 19.064 19.000 -0.034 0.000 1.002 609 A HN 0.268 nan 8.150 nan 0.000 0.502 610 G N -0.299 108.478 108.800 -0.039 0.000 2.631 610 G HA2 0.352 4.303 3.960 -0.014 0.000 0.271 610 G HA3 0.352 4.303 3.960 -0.014 0.000 0.271 610 G C 0.703 175.571 174.900 -0.054 0.000 1.302 610 G CA -0.453 44.621 45.100 -0.044 0.000 1.002 610 G HN 0.745 nan 8.290 nan 0.000 0.519 611 L N 0.852 122.041 121.223 -0.057 0.000 2.633 611 L HA -0.007 4.325 4.340 -0.014 0.000 0.235 611 L C 3.022 179.855 176.870 -0.063 0.000 1.163 611 L CA 0.592 55.391 54.840 -0.068 0.000 0.859 611 L CB -0.847 41.175 42.059 -0.062 0.000 0.973 611 L HN 0.696 nan 8.230 nan 0.000 0.451 612 A N 1.744 124.533 122.820 -0.052 0.000 2.030 612 A HA -0.325 3.986 4.320 -0.014 0.000 0.266 612 A C 1.896 179.448 177.584 -0.054 0.000 2.529 612 A CA 2.623 54.631 52.037 -0.048 0.000 0.955 612 A CB -0.815 18.159 19.000 -0.042 0.000 0.765 612 A HN 0.600 nan 8.150 nan 0.000 0.502 613 E N 0.461 120.627 120.200 -0.056 0.000 2.311 613 E HA 0.330 4.672 4.350 -0.014 0.000 0.198 613 E C -0.289 176.268 176.600 -0.072 0.000 1.115 613 E CA -0.095 56.269 56.400 -0.060 0.000 1.140 613 E CB -0.654 29.015 29.700 -0.053 0.000 1.204 613 E HN 0.613 nan 8.360 nan 0.000 0.446 614 L N 1.356 122.531 121.223 -0.081 0.000 2.295 614 L HA 0.273 4.605 4.340 -0.014 0.000 0.285 614 L C 0.636 177.441 176.870 -0.108 0.000 1.035 614 L CA -0.698 54.084 54.840 -0.097 0.000 0.806 614 L CB 1.795 43.792 42.059 -0.103 0.000 1.214 614 L HN 0.001 nan 8.230 nan 0.000 0.426 615 T N 1.511 115.986 114.554 -0.130 0.000 2.882 615 T HA 0.252 4.594 4.350 -0.014 0.000 0.287 615 T C -1.745 172.845 174.700 -0.184 0.000 1.014 615 T CA -1.581 60.427 62.100 -0.153 0.000 1.049 615 T CB 1.563 70.324 68.868 -0.178 0.000 1.001 615 T HN 0.314 nan 8.240 nan 0.000 0.525 616 P HA -0.087 nan 4.420 nan 0.000 0.215 616 P C 1.703 178.821 177.300 -0.303 0.000 1.163 616 P CA 1.283 64.267 63.100 -0.193 0.000 0.894 616 P CB -0.063 31.537 31.700 -0.167 0.000 0.791 617 I N -0.283 120.002 120.570 -0.475 0.000 2.087 617 I HA -0.333 3.828 4.170 -0.014 0.000 0.240 617 I C 1.825 177.605 176.117 -0.561 0.000 1.054 617 I CA 1.828 62.605 61.300 -0.872 0.000 1.311 617 I CB -0.896 36.480 38.000 -1.041 0.000 1.024 617 I HN -0.022 nan 8.210 nan 0.000 0.402 618 D N 0.697 120.881 120.400 -0.360 0.000 2.172 618 D HA -0.195 4.436 4.640 -0.014 0.000 0.196 618 D C 2.216 178.418 176.300 -0.165 0.000 0.999 618 D CA 1.354 55.220 54.000 -0.223 0.000 0.856 618 D CB -0.336 40.365 40.800 -0.166 0.000 0.934 618 D HN 0.361 nan 8.370 nan 0.000 0.453 619 L N 0.713 121.840 121.223 -0.160 0.000 1.993 619 L HA -0.100 4.232 4.340 -0.014 0.000 0.206 619 L C 2.444 179.291 176.870 -0.037 0.000 1.074 619 L CA 0.891 55.680 54.840 -0.085 0.000 0.746 619 L CB -0.435 41.582 42.059 -0.070 0.000 0.896 619 L HN -0.096 nan 8.230 nan 0.000 0.435 620 E N 0.187 120.358 120.200 -0.048 0.000 2.147 620 E HA -0.216 4.126 4.350 -0.014 0.000 0.199 620 E C 2.260 178.908 176.600 0.080 0.000 1.005 620 E CA 1.333 57.767 56.400 0.057 0.000 0.810 620 E CB -0.468 29.309 29.700 0.129 0.000 0.736 620 E HN 0.322 nan 8.360 nan 0.000 0.460 621 V N 1.111 121.027 119.914 0.005 0.000 2.626 621 V HA -0.183 3.929 4.120 -0.014 0.000 0.252 621 V C 2.307 178.417 176.094 0.027 0.000 1.067 621 V CA 1.100 63.419 62.300 0.031 0.000 1.081 621 V CB -0.339 31.463 31.823 -0.036 0.000 0.686 621 V HN 0.186 nan 8.190 nan 0.000 0.468 622 L N -0.418 120.827 121.223 0.036 0.000 2.307 622 L HA 0.127 4.459 4.340 -0.014 0.000 0.211 622 L C 2.469 179.419 176.870 0.134 0.000 1.099 622 L CA 0.979 55.886 54.840 0.112 0.000 0.816 622 L CB -0.435 41.697 42.059 0.121 0.000 0.952 622 L HN 0.306 nan 8.230 nan 0.000 0.455 623 A N -1.442 121.439 122.820 0.102 0.000 2.123 623 A HA -0.074 4.238 4.320 -0.014 0.000 0.214 623 A C 0.515 178.135 177.584 0.061 0.000 1.152 623 A CA 0.899 52.995 52.037 0.099 0.000 0.728 623 A CB 0.044 19.116 19.000 0.120 0.000 0.814 623 A HN 0.305 nan 8.150 nan 0.000 0.464 624 D N -2.008 118.425 120.400 0.056 0.000 2.584 624 D HA 0.240 4.872 4.640 -0.014 0.000 0.238 624 D C -2.659 173.658 176.300 0.028 0.000 1.302 624 D CA -1.177 52.847 54.000 0.040 0.000 0.884 624 D CB 0.973 41.826 40.800 0.089 0.000 1.456 624 D HN -0.094 nan 8.370 nan 0.000 0.528 625 P HA -0.039 nan 4.420 nan 0.000 0.228 625 P C 1.103 178.398 177.300 -0.009 0.000 1.151 625 P CA 0.672 63.758 63.100 -0.024 0.000 0.770 625 P CB 0.349 32.009 31.700 -0.067 0.000 0.786 626 N N -0.032 118.670 118.700 0.002 0.000 2.244 626 N HA -0.119 4.612 4.740 -0.014 0.000 0.183 626 N C 1.286 176.876 175.510 0.133 0.000 1.016 626 N CA 1.020 54.111 53.050 0.068 0.000 0.866 626 N CB -0.354 38.190 38.487 0.095 0.000 0.980 626 N HN 0.000 nan 8.380 nan 0.000 0.430 627 K N -0.325 120.083 120.400 0.013 0.000 2.585 627 K HA -0.062 4.249 4.320 -0.014 0.000 0.194 627 K C 0.960 177.392 176.600 -0.280 0.000 1.037 627 K CA 0.259 56.304 56.287 -0.404 0.000 0.964 627 K CB 0.009 32.318 32.500 -0.320 0.000 0.787 627 K HN 0.192 nan 8.250 nan 0.000 0.488 628 L N 0.794 122.003 121.223 -0.025 0.000 2.599 628 L HA -0.050 4.282 4.340 -0.014 0.000 0.230 628 L C 1.753 178.658 176.870 0.058 0.000 1.141 628 L CA 0.934 55.802 54.840 0.047 0.000 0.877 628 L CB 0.102 42.191 42.059 0.050 0.000 1.009 628 L HN 0.086 nan 8.230 nan 0.000 0.447 629 Q N -1.638 118.217 119.800 0.093 0.000 2.302 629 Q HA -0.027 4.304 4.340 -0.014 0.000 0.202 629 Q C 1.061 177.198 176.000 0.228 0.000 0.936 629 Q CA 1.141 57.047 55.803 0.171 0.000 0.886 629 Q CB 0.226 29.085 28.738 0.200 0.000 0.986 629 Q HN 0.678 nan 8.270 nan 0.000 0.487 630 Y N -0.679 119.594 120.300 -0.044 0.000 3.154 630 Y HA 0.259 4.801 4.550 -0.014 0.000 0.179 630 Y C 1.872 177.660 175.900 -0.188 0.000 0.900 630 Y CA 0.095 58.140 58.100 -0.091 0.000 1.743 630 Y CB -1.052 37.337 38.460 -0.117 0.000 1.362 630 Y HN -0.159 nan 8.280 nan 0.000 0.414 631 K N 0.068 120.058 120.400 -0.684 0.000 2.520 631 K HA -0.081 4.231 4.320 -0.014 0.000 0.197 631 K C -0.774 175.181 176.600 -1.075 0.000 1.044 631 K CA 1.079 56.807 56.287 -0.932 0.000 0.938 631 K CB -0.135 31.563 32.500 -1.337 0.000 0.767 631 K HN 0.386 nan 8.250 nan 0.000 0.481 632 W N -0.051 121.107 121.300 -0.238 0.000 3.074 632 W HA 0.228 4.879 4.660 -0.014 0.000 0.332 632 W C -0.689 175.735 176.519 -0.159 0.000 1.253 632 W CA -0.699 56.536 57.345 -0.182 0.000 1.180 632 W CB 1.056 30.422 29.460 -0.157 0.000 1.445 632 W HN -0.029 nan 8.180 nan 0.000 0.573 633 T N -2.861 111.750 114.554 0.094 0.000 2.887 633 T HA 0.247 4.589 4.350 -0.014 0.000 0.292 633 T C 0.723 175.441 174.700 0.030 0.000 1.087 633 T CA -0.379 61.721 62.100 -0.001 0.000 1.009 633 T CB 2.456 71.204 68.868 -0.200 0.000 1.203 633 T HN 0.554 nan 8.240 nan 0.000 0.518 634 E N 0.581 120.791 120.200 0.017 0.000 2.169 634 E HA -0.266 4.076 4.350 -0.014 0.000 0.202 634 E C 2.071 178.550 176.600 -0.201 0.000 1.016 634 E CA 1.904 58.193 56.400 -0.186 0.000 0.817 634 E CB -0.632 28.859 29.700 -0.349 0.000 0.736 634 E HN 0.769 nan 8.360 nan 0.000 0.462 635 A N 1.179 123.918 122.820 -0.134 0.000 1.969 635 A HA -0.145 4.166 4.320 -0.014 0.000 0.218 635 A C 1.478 179.022 177.584 -0.067 0.000 1.169 635 A CA 1.497 53.469 52.037 -0.108 0.000 0.635 635 A CB -0.181 18.756 19.000 -0.105 0.000 0.810 635 A HN 0.438 nan 8.150 nan 0.000 0.445 636 D N -0.500 119.878 120.400 -0.037 0.000 2.319 636 D HA 0.181 4.812 4.640 -0.014 0.000 0.230 636 D C -0.252 175.962 176.300 -0.143 0.000 1.094 636 D CA 0.251 54.221 54.000 -0.050 0.000 0.856 636 D CB 0.269 41.084 40.800 0.026 0.000 0.915 636 D HN 0.153 nan 8.370 nan 0.000 0.517 637 V N 0.938 120.798 119.914 -0.089 0.000 2.487 637 V HA 0.091 4.202 4.120 -0.014 0.000 0.298 637 V C 0.220 176.283 176.094 -0.052 0.000 1.028 637 V CA -0.855 61.397 62.300 -0.080 0.000 0.860 637 V CB 2.092 33.940 31.823 0.040 0.000 0.991 637 V HN -0.007 nan 8.190 nan 0.000 0.427 638 S N 3.746 119.402 115.700 -0.073 0.000 2.702 638 S HA 0.055 4.517 4.470 -0.014 0.000 0.314 638 S C 1.617 176.208 174.600 -0.015 0.000 1.244 638 S CA 0.370 58.536 58.200 -0.055 0.000 1.058 638 S CB 0.790 63.948 63.200 -0.069 0.000 0.783 638 S HN 1.134 nan 8.310 nan 0.000 0.503 639 A N 4.982 127.786 122.820 -0.027 0.000 1.900 639 A HA -0.333 3.979 4.320 -0.014 0.000 0.225 639 A C 2.141 179.736 177.584 0.019 0.000 1.414 639 A CA 2.426 54.453 52.037 -0.016 0.000 0.702 639 A CB -0.982 18.000 19.000 -0.031 0.000 0.845 639 A HN 0.953 nan 8.150 nan 0.000 0.478 640 N N -0.316 118.384 118.700 0.001 0.000 2.216 640 N HA -0.100 4.632 4.740 -0.014 0.000 0.183 640 N C 1.551 177.069 175.510 0.013 0.000 1.017 640 N CA 1.672 54.724 53.050 0.003 0.000 0.861 640 N CB -0.570 37.908 38.487 -0.015 0.000 0.986 640 N HN 0.409 nan 8.380 nan 0.000 0.428 641 I N 1.929 122.501 120.570 0.003 0.000 2.264 641 I HA -0.227 3.935 4.170 -0.014 0.000 0.248 641 I C 2.489 178.617 176.117 0.019 0.000 1.111 641 I CA 1.207 62.502 61.300 -0.007 0.000 1.382 641 I CB -1.433 36.546 38.000 -0.036 0.000 1.060 641 I HN 0.346 nan 8.210 nan 0.000 0.418 642 H N 1.429 120.478 119.070 -0.036 0.000 2.387 642 H HA -0.147 4.401 4.556 -0.014 0.000 0.299 642 H C 1.876 177.196 175.328 -0.015 0.000 1.090 642 H CA 1.612 57.646 56.048 -0.024 0.000 1.332 642 H CB 0.347 30.092 29.762 -0.029 0.000 1.386 642 H HN 0.456 nan 8.280 nan 0.000 0.516 643 E N -0.137 120.108 120.200 0.075 0.000 2.204 643 E HA -0.105 4.237 4.350 -0.014 0.000 0.195 643 E C 2.417 179.015 176.600 -0.002 0.000 0.990 643 E CA 0.831 57.240 56.400 0.015 0.000 0.821 643 E CB 0.194 29.891 29.700 -0.005 0.000 0.750 643 E HN 0.232 nan 8.360 nan 0.000 0.477 644 V N 1.254 121.176 119.914 0.014 0.000 2.343 644 V HA -0.239 3.872 4.120 -0.014 0.000 0.247 644 V C 2.057 178.173 176.094 0.036 0.000 1.051 644 V CA 1.575 63.911 62.300 0.060 0.000 1.036 644 V CB -0.273 31.597 31.823 0.079 0.000 0.654 644 V HN 0.290 nan 8.190 nan 0.000 0.451 645 L N -1.672 119.524 121.223 -0.045 0.000 2.513 645 L HA 0.228 4.560 4.340 -0.014 0.000 0.222 645 L C 0.567 177.378 176.870 -0.099 0.000 1.096 645 L CA 0.245 55.038 54.840 -0.079 0.000 0.857 645 L CB -0.019 41.965 42.059 -0.125 0.000 1.026 645 L HN 0.265 nan 8.230 nan 0.000 0.469 646 M N -1.076 118.451 119.600 -0.121 0.000 2.644 646 M HA 0.469 4.940 4.480 -0.014 0.000 0.304 646 M C -1.164 175.169 176.300 0.055 0.000 1.215 646 M CA -0.327 54.942 55.300 -0.052 0.000 0.871 646 M CB 2.077 34.596 32.600 -0.135 0.000 1.740 646 M HN -0.138 nan 8.290 nan 0.000 0.464 647 H N -0.065 119.024 119.070 0.033 0.000 2.877 647 H HA 0.661 5.210 4.556 -0.013 0.000 0.347 647 H C -1.067 174.302 175.328 0.068 0.000 1.042 647 H CA -0.239 55.839 56.048 0.049 0.000 1.276 647 H CB 1.806 31.587 29.762 0.032 0.000 1.681 647 H HN 0.841 nan 8.280 nan 0.000 0.521 648 G N 2.191 111.192 108.800 0.334 0.000 2.552 648 G HA2 0.518 4.470 3.960 -0.014 0.000 0.318 648 G HA3 0.518 4.470 3.960 -0.014 0.000 0.318 648 G C -0.764 174.300 174.900 0.274 0.000 1.240 648 G CA -0.480 44.778 45.100 0.263 0.000 1.002 648 G HN 0.401 nan 8.290 nan 0.000 0.493 649 V N 0.081 120.089 119.914 0.157 0.000 2.850 649 V HA 0.407 4.519 4.120 -0.014 0.000 0.315 649 V C 0.656 176.803 176.094 0.089 0.000 1.064 649 V CA -0.702 61.664 62.300 0.110 0.000 0.979 649 V CB 1.678 33.542 31.823 0.068 0.000 1.039 649 V HN 0.999 nan 8.190 nan 0.000 0.452 650 S N 1.829 117.572 115.700 0.072 0.000 2.673 650 S HA 0.015 4.477 4.470 -0.014 0.000 0.308 650 S C 1.161 175.794 174.600 0.056 0.000 1.246 650 S CA -0.342 57.893 58.200 0.059 0.000 1.077 650 S CB 0.398 63.626 63.200 0.047 0.000 0.814 650 S HN 0.577 nan 8.310 nan 0.000 0.503 651 V N 3.173 123.118 119.914 0.051 0.000 2.332 651 V HA -0.288 3.824 4.120 -0.014 0.000 0.248 651 V C 2.667 178.793 176.094 0.053 0.000 1.055 651 V CA 2.137 64.468 62.300 0.051 0.000 1.038 651 V CB -1.681 30.165 31.823 0.038 0.000 0.651 651 V HN 1.041 nan 8.190 nan 0.000 0.450 652 E N 1.638 121.864 120.200 0.044 0.000 2.147 652 E HA -0.304 4.037 4.350 -0.014 0.000 0.199 652 E C 2.017 178.651 176.600 0.057 0.000 1.005 652 E CA 2.079 58.504 56.400 0.043 0.000 0.810 652 E CB -0.462 29.259 29.700 0.034 0.000 0.736 652 E HN 0.617 nan 8.360 nan 0.000 0.460 653 K N -0.068 120.368 120.400 0.060 0.000 2.098 653 K HA -0.035 4.277 4.320 -0.014 0.000 0.203 653 K C 2.598 179.266 176.600 0.113 0.000 1.051 653 K CA 1.549 57.880 56.287 0.072 0.000 0.957 653 K CB -0.213 32.316 32.500 0.047 0.000 0.738 653 K HN 0.383 nan 8.250 nan 0.000 0.447 654 T N -0.355 114.262 114.554 0.105 0.000 2.821 654 T HA -0.164 4.178 4.350 -0.014 0.000 0.267 654 T C 1.878 176.708 174.700 0.216 0.000 1.046 654 T CA 1.232 63.428 62.100 0.159 0.000 1.139 654 T CB -0.048 68.890 68.868 0.117 0.000 0.871 654 T HN 0.252 nan 8.240 nan 0.000 0.454 655 E N 0.959 121.238 120.200 0.132 0.000 2.051 655 E HA -0.214 4.128 4.350 -0.014 0.000 0.192 655 E C 2.575 179.234 176.600 0.098 0.000 0.991 655 E CA 0.916 57.374 56.400 0.097 0.000 0.799 655 E CB -0.205 29.529 29.700 0.058 0.000 0.748 655 E HN 0.539 nan 8.360 nan 0.000 0.449 656 R N -0.493 120.072 120.500 0.108 0.000 2.091 656 R HA -0.192 4.140 4.340 -0.014 0.000 0.238 656 R C 2.342 178.724 176.300 0.136 0.000 1.136 656 R CA 1.788 57.945 56.100 0.096 0.000 0.959 656 R CB -0.467 29.890 30.300 0.095 0.000 0.856 656 R HN 0.258 nan 8.270 nan 0.000 0.437 657 F N 0.671 120.655 119.950 0.056 0.000 2.051 657 F HA -0.222 4.297 4.527 -0.014 0.000 0.296 657 F C 1.817 177.671 175.800 0.091 0.000 1.122 657 F CA 1.301 59.361 58.000 0.100 0.000 1.201 657 F CB -0.637 38.433 39.000 0.117 0.000 0.978 657 F HN 0.013 nan 8.300 nan 0.000 0.472 658 L N 1.063 122.300 121.223 0.023 0.000 2.089 658 L HA -0.238 4.093 4.340 -0.014 0.000 0.213 658 L C 2.620 179.338 176.870 -0.253 0.000 1.079 658 L CA 1.926 56.665 54.840 -0.168 0.000 0.758 658 L CB -1.177 40.891 42.059 0.015 0.000 0.891 658 L HN 0.253 nan 8.230 nan 0.000 0.433 659 R N -0.836 119.582 120.500 -0.138 0.000 2.070 659 R HA -0.164 4.168 4.340 -0.014 0.000 0.232 659 R C 2.537 178.743 176.300 -0.157 0.000 1.138 659 R CA 1.707 57.731 56.100 -0.128 0.000 0.936 659 R CB -0.410 29.857 30.300 -0.055 0.000 0.839 659 R HN 0.520 nan 8.270 nan 0.000 0.429 660 S N -0.608 115.027 115.700 -0.109 0.000 2.465 660 S HA -0.081 4.380 4.470 -0.014 0.000 0.241 660 S C 1.797 176.370 174.600 -0.044 0.000 1.000 660 S CA 1.309 59.500 58.200 -0.014 0.000 0.964 660 S CB -0.134 63.124 63.200 0.095 0.000 0.763 660 S HN 0.191 nan 8.310 nan 0.000 0.512 661 V N 1.399 121.104 119.914 -0.347 0.000 2.326 661 V HA 0.188 4.300 4.120 -0.014 0.000 0.238 661 V C 1.627 177.288 176.094 -0.721 0.000 1.038 661 V CA 1.079 62.993 62.300 -0.643 0.000 1.032 661 V CB -0.462 30.753 31.823 -1.012 0.000 0.675 661 V HN 0.485 nan 8.190 nan 0.000 0.467 662 M N 0.804 119.958 119.600 -0.745 0.000 2.240 662 M HA 0.139 4.610 4.480 -0.014 0.000 0.317 662 M C -2.166 173.782 176.300 -0.585 0.000 1.087 662 M CA -1.095 53.668 55.300 -0.894 0.000 1.176 662 M CB -0.312 31.918 32.600 -0.618 0.000 1.439 662 M HN 0.063 nan 8.290 nan 0.000 0.452 663 P HA -0.030 nan 4.420 nan 0.000 0.260 663 P C -0.460 176.730 177.300 -0.184 0.000 1.185 663 P CA 0.315 63.249 63.100 -0.275 0.000 0.763 663 P CB 0.282 31.874 31.700 -0.180 0.000 0.776 664 R N 0.000 120.424 120.500 -0.127 0.000 2.786 664 R HA 0.000 4.332 4.340 -0.014 0.000 0.208 664 R CA 0.000 56.049 56.100 -0.086 0.000 0.921 664 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535