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 1pys_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRARGFGLR GLDTP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.059 0.000 1.302 2 R N 5.927 126.412 120.500 -0.026 0.000 2.296 2 R HA 0.251 nan 4.340 nan 0.000 0.323 2 R C -0.821 175.444 176.300 -0.058 0.000 1.067 2 R CA 0.256 56.349 56.100 -0.012 0.000 0.946 2 R CB 0.295 30.617 30.300 0.035 0.000 0.991 2 R HN 0.335 8.597 8.270 -0.014 0.000 0.448 3 V N 7.395 127.272 119.914 -0.062 0.000 2.277 3 V HA 0.313 nan 4.120 nan 0.000 0.269 3 V C -1.928 174.154 176.094 -0.019 0.000 1.036 3 V CA -3.181 59.052 62.300 -0.111 0.000 0.821 3 V CB 0.510 32.258 31.823 -0.126 0.000 1.052 3 V HN 0.777 8.837 8.190 -0.035 0.109 0.462 4 P HA 0.254 nan 4.420 nan 0.000 0.271 4 P C -0.373 177.018 177.300 0.152 0.000 1.233 4 P CA -0.550 62.640 63.100 0.150 0.000 0.764 4 P CB -0.113 31.777 31.700 0.316 0.000 0.825 5 F N 7.622 127.593 119.950 0.035 0.000 2.043 5 F HA -0.531 nan 4.527 nan 0.000 0.297 5 F C 0.924 176.758 175.800 0.057 0.000 1.121 5 F CA 4.234 62.247 58.000 0.022 0.000 1.199 5 F CB 0.521 39.523 39.000 0.002 0.000 0.968 5 F HN 0.557 9.031 8.300 0.290 0.000 0.478 6 S N -1.247 114.518 115.700 0.109 0.000 2.442 6 S HA -0.368 nan 4.470 nan 0.000 0.236 6 S C 1.683 176.294 174.600 0.019 0.000 1.007 6 S CA 2.937 61.146 58.200 0.015 0.000 0.965 6 S CB -0.573 62.692 63.200 0.108 0.000 0.773 6 S HN -0.003 8.959 8.310 0.268 -0.492 0.504 7 W N 2.248 123.476 121.300 -0.119 0.000 2.441 7 W HA -0.083 nan 4.660 nan 0.000 0.302 7 W C 2.014 178.423 176.519 -0.183 0.000 1.191 7 W CA 1.209 58.488 57.345 -0.110 0.000 1.327 7 W CB 0.015 29.469 29.460 -0.010 0.000 1.128 7 W HN -0.678 7.627 8.180 0.266 0.035 0.522 8 L N 1.386 122.579 121.223 -0.051 0.000 2.079 8 L HA -0.401 nan 4.340 nan 0.000 0.210 8 L C 1.807 178.565 176.870 -0.188 0.000 1.081 8 L CA 3.177 57.946 54.840 -0.118 0.000 0.752 8 L CB -0.283 41.642 42.059 -0.223 0.000 0.896 8 L HN -0.083 8.118 8.230 -0.048 0.000 0.433 9 K N -1.277 118.907 120.400 -0.360 0.000 2.360 9 K HA -0.328 nan 4.320 nan 0.000 0.201 9 K C 0.891 177.334 176.600 -0.262 0.000 1.046 9 K CA 2.560 58.623 56.287 -0.373 0.000 0.945 9 K CB -0.102 32.104 32.500 -0.489 0.000 0.750 9 K HN 0.016 7.999 8.250 -0.425 0.012 0.464 10 A N -2.159 120.470 122.820 -0.318 0.000 2.119 10 A HA -0.080 nan 4.320 nan 0.000 0.217 10 A C 0.788 178.061 177.584 -0.517 0.000 1.153 10 A CA 2.223 54.003 52.037 -0.428 0.000 0.692 10 A CB 0.050 18.740 19.000 -0.516 0.000 0.799 10 A HN -0.214 7.593 8.150 -0.279 0.176 0.458 11 Y N -6.071 114.191 120.300 -0.064 0.000 2.559 11 Y HA 0.081 nan 4.550 nan 0.000 0.279 11 Y C -0.313 175.542 175.900 -0.076 0.000 1.117 11 Y CA 1.720 59.777 58.100 -0.072 0.000 1.263 11 Y CB 1.891 40.292 38.460 -0.098 0.000 1.230 11 Y HN -0.460 7.467 8.280 -0.327 0.157 0.528 12 V N -0.584 119.339 119.914 0.016 0.000 2.204 12 V HA 0.426 nan 4.120 nan 0.000 0.264 12 V C -1.548 174.513 176.094 -0.055 0.000 1.106 12 V CA -3.106 59.180 62.300 -0.024 0.000 0.947 12 V CB -1.733 30.000 31.823 -0.149 0.000 1.164 12 V HN -0.400 7.775 8.190 -0.025 0.000 0.461 13 P HA -0.195 nan 4.420 nan 0.000 0.219 13 P C 0.818 178.130 177.300 0.020 0.000 1.146 13 P CA 2.242 65.326 63.100 -0.026 0.000 0.808 13 P CB 0.214 31.904 31.700 -0.016 0.000 0.779 14 E N -2.781 117.476 120.200 0.095 0.000 2.476 14 E HA 0.060 nan 4.350 nan 0.000 0.191 14 E C 0.165 176.901 176.600 0.226 0.000 1.064 14 E CA -0.738 55.759 56.400 0.162 0.000 0.866 14 E CB -0.837 28.987 29.700 0.207 0.000 0.952 14 E HN 0.163 8.534 8.360 0.112 0.056 0.492 15 L N -0.215 121.080 121.223 0.119 0.000 2.578 15 L HA -0.279 nan 4.340 nan 0.000 0.279 15 L C 1.194 178.212 176.870 0.247 0.000 1.227 15 L CA 0.464 55.385 54.840 0.136 0.000 0.900 15 L CB -0.006 42.042 42.059 -0.018 0.000 1.144 15 L HN -0.881 7.297 8.230 0.014 0.060 0.496 16 E N 4.958 125.316 120.200 0.263 0.000 2.017 16 E HA -0.261 nan 4.350 nan 0.000 0.193 16 E C -0.953 175.754 176.600 0.178 0.000 0.997 16 E CA 2.515 59.031 56.400 0.193 0.000 0.804 16 E CB 0.470 30.262 29.700 0.155 0.000 0.757 16 E HN 0.852 9.394 8.360 0.303 0.000 0.448 17 S N -7.335 108.463 115.700 0.163 0.000 2.615 17 S HA 0.228 nan 4.470 nan 0.000 0.268 17 S C -1.902 172.586 174.600 -0.187 0.000 1.146 17 S CA -1.692 56.470 58.200 -0.062 0.000 0.818 17 S CB 1.262 64.407 63.200 -0.092 0.000 1.111 17 S HN -0.727 7.699 8.310 0.192 0.000 0.465 18 P HA -0.038 nan 4.420 nan 0.000 0.217 18 P C 1.318 178.541 177.300 -0.127 0.000 1.150 18 P CA 2.353 65.202 63.100 -0.419 0.000 0.832 18 P CB 0.194 31.550 31.700 -0.573 0.000 0.787 19 E N -1.965 118.159 120.200 -0.126 0.000 2.077 19 E HA -0.205 nan 4.350 nan 0.000 0.193 19 E C 2.693 179.289 176.600 -0.006 0.000 0.989 19 E CA 3.449 59.817 56.400 -0.053 0.000 0.800 19 E CB -0.698 28.971 29.700 -0.052 0.000 0.746 19 E HN 0.396 8.637 8.360 -0.181 0.010 0.452 20 V N 0.715 120.637 119.914 0.013 0.000 2.453 20 V HA -0.260 nan 4.120 nan 0.000 0.247 20 V C 1.878 178.019 176.094 0.079 0.000 1.048 20 V CA 4.040 66.374 62.300 0.057 0.000 1.049 20 V CB -0.605 31.270 31.823 0.088 0.000 0.672 20 V HN -0.308 7.802 8.190 -0.008 0.075 0.457 21 L N 0.124 121.404 121.223 0.094 0.000 2.042 21 L HA -0.427 nan 4.340 nan 0.000 0.210 21 L C 1.445 178.354 176.870 0.065 0.000 1.076 21 L CA 3.704 58.602 54.840 0.097 0.000 0.749 21 L CB -0.413 41.759 42.059 0.187 0.000 0.893 21 L HN 0.439 8.544 8.230 0.091 0.179 0.432 22 E N -1.064 119.166 120.200 0.050 0.000 2.077 22 E HA -0.472 nan 4.350 nan 0.000 0.193 22 E C 1.912 178.538 176.600 0.043 0.000 0.989 22 E CA 3.530 59.954 56.400 0.040 0.000 0.800 22 E CB -0.311 29.402 29.700 0.021 0.000 0.746 22 E HN 0.240 8.619 8.360 0.040 0.005 0.452 23 E N -0.295 119.930 120.200 0.041 0.000 2.072 23 E HA -0.321 nan 4.350 nan 0.000 0.191 23 E C 2.595 179.224 176.600 0.049 0.000 0.985 23 E CA 2.875 59.298 56.400 0.040 0.000 0.801 23 E CB -0.163 29.560 29.700 0.038 0.000 0.750 23 E HN -0.718 7.577 8.360 0.040 0.090 0.452 24 R N -1.490 119.051 120.500 0.069 0.000 2.073 24 R HA -0.270 nan 4.340 nan 0.000 0.234 24 R C 2.891 179.237 176.300 0.078 0.000 1.134 24 R CA 2.390 58.540 56.100 0.084 0.000 0.952 24 R CB -0.301 30.064 30.300 0.108 0.000 0.850 24 R HN 0.129 8.370 8.270 0.073 0.073 0.433 25 L N -1.931 119.344 121.223 0.087 0.000 2.131 25 L HA -0.292 nan 4.340 nan 0.000 0.210 25 L C 1.872 178.816 176.870 0.123 0.000 1.092 25 L CA 2.687 57.619 54.840 0.153 0.000 0.759 25 L CB -0.624 41.521 42.059 0.144 0.000 0.903 25 L HN 0.133 8.406 8.230 0.072 0.000 0.435 26 A N -0.837 122.018 122.820 0.059 0.000 1.883 26 A HA -0.293 nan 4.320 nan 0.000 0.217 26 A C 2.660 180.207 177.584 -0.061 0.000 1.186 26 A CA 3.206 55.247 52.037 0.007 0.000 0.624 26 A CB -1.054 17.950 19.000 0.006 0.000 0.822 26 A HN -0.032 8.051 8.150 0.057 0.102 0.444 27 G N -3.063 105.704 108.800 -0.054 0.000 2.471 27 G HA2 -0.169 nan 3.960 nan 0.000 0.219 27 G HA3 -0.169 nan 3.960 nan 0.000 0.219 27 G C 0.458 175.243 174.900 -0.191 0.000 1.125 27 G CA 1.143 46.170 45.100 -0.121 0.000 0.775 27 G HN -0.567 7.717 8.290 -0.011 0.000 0.548 28 L N -2.047 119.102 121.223 -0.123 0.000 2.492 28 L HA 0.035 nan 4.340 nan 0.000 0.223 28 L C 0.057 176.676 176.870 -0.420 0.000 1.132 28 L CA -0.096 54.650 54.840 -0.157 0.000 0.850 28 L CB 0.156 42.252 42.059 0.061 0.000 0.966 28 L HN -0.874 7.191 8.230 -0.038 0.142 0.454 29 G N -2.769 105.766 108.800 -0.442 0.000 2.159 29 G HA2 -0.325 nan 3.960 nan 0.000 0.170 29 G HA3 -0.325 nan 3.960 nan 0.000 0.170 29 G C -1.105 173.389 174.900 -0.677 0.000 1.007 29 G CA -0.266 44.486 45.100 -0.580 0.000 0.672 29 G HN -0.384 7.569 8.290 -0.274 0.173 0.507 30 F N -0.521 119.397 119.950 -0.053 0.000 2.427 30 F HA 0.332 nan 4.527 nan 0.000 0.348 30 F C -1.255 174.528 175.800 -0.029 0.000 1.125 30 F CA -1.831 56.147 58.000 -0.036 0.000 0.989 30 F CB 1.407 40.384 39.000 -0.038 0.000 1.165 30 F HN -0.328 7.882 8.300 -0.149 0.000 0.442 31 E N 4.218 124.500 120.200 0.135 0.000 2.175 31 E HA 0.248 nan 4.350 nan 0.000 0.278 31 E C -1.185 175.458 176.600 0.072 0.000 0.969 31 E CA -1.634 54.812 56.400 0.077 0.000 0.796 31 E CB 3.163 32.887 29.700 0.040 0.000 1.104 31 E HN 0.192 8.632 8.360 0.132 0.000 0.395 32 T N 2.945 117.531 114.554 0.053 0.000 2.771 32 T HA 0.234 nan 4.350 nan 0.000 0.291 32 T C -0.033 174.684 174.700 0.027 0.000 0.954 32 T CA -1.183 60.940 62.100 0.037 0.000 1.045 32 T CB 0.201 69.086 68.868 0.028 0.000 0.917 32 T HN 0.390 8.659 8.240 0.050 0.000 0.484 33 D N 7.590 128.004 120.400 0.024 0.000 2.183 33 D HA 0.056 nan 4.640 nan 0.000 0.203 33 D C -0.030 176.278 176.300 0.014 0.000 0.969 33 D CA 1.941 55.952 54.000 0.019 0.000 0.842 33 D CB 0.739 41.550 40.800 0.019 0.000 0.957 33 D HN 0.621 9.006 8.370 0.025 0.000 0.484 34 R N -4.890 115.617 120.500 0.011 0.000 2.728 34 R HA 0.350 nan 4.340 nan 0.000 0.274 34 R C -2.376 173.925 176.300 0.002 0.000 1.030 34 R CA -0.772 55.331 56.100 0.006 0.000 0.876 34 R CB 2.318 32.622 30.300 0.007 0.000 1.259 34 R HN -0.803 7.474 8.270 0.013 0.000 0.468 35 I N 0.493 121.060 120.570 -0.005 0.000 2.493 35 I HA 0.239 nan 4.170 nan 0.000 0.279 35 I C -1.063 175.042 176.117 -0.020 0.000 1.045 35 I CA -0.509 60.782 61.300 -0.014 0.000 1.106 35 I CB 0.999 38.983 38.000 -0.027 0.000 1.216 35 I HN 0.349 8.555 8.210 -0.006 0.000 0.459 36 E N 6.815 127.004 120.200 -0.018 0.000 2.248 36 E HA 0.228 nan 4.350 nan 0.000 0.272 36 E C -1.326 175.246 176.600 -0.046 0.000 1.008 36 E CA -1.555 54.830 56.400 -0.025 0.000 0.856 36 E CB 2.374 32.065 29.700 -0.015 0.000 1.120 36 E HN 0.341 8.694 8.360 -0.012 0.000 0.397 37 R N 1.752 122.223 120.500 -0.049 0.000 2.460 37 R HA 0.526 nan 4.340 nan 0.000 0.303 37 R C -0.145 176.103 176.300 -0.087 0.000 0.968 37 R CA 0.125 56.185 56.100 -0.067 0.000 0.889 37 R CB 1.357 31.633 30.300 -0.041 0.000 1.123 37 R HN 0.237 8.487 8.270 -0.034 0.000 0.455 38 V N -0.728 119.077 119.914 -0.181 0.000 3.431 38 V HA 0.254 nan 4.120 nan 0.000 0.255 38 V C -0.682 175.387 176.094 -0.040 0.000 1.403 38 V CA 0.151 62.315 62.300 -0.228 0.000 1.101 38 V CB 1.580 33.138 31.823 -0.443 0.000 0.891 38 V HN 0.922 8.986 8.190 -0.209 0.000 0.446 39 F N -0.164 119.874 119.950 0.146 0.000 2.578 39 F HA 0.606 nan 4.527 nan 0.000 0.314 39 F C -1.780 174.070 175.800 0.084 0.000 1.225 39 F CA -4.892 53.200 58.000 0.153 0.000 1.215 39 F CB -0.901 38.324 39.000 0.374 0.000 1.448 39 F HN -0.469 7.790 8.300 -0.068 0.000 0.548 40 P HA 0.066 nan 4.420 nan 0.000 0.268 40 P C -1.464 175.872 177.300 0.060 0.000 1.541 40 P CA -0.069 63.096 63.100 0.109 0.000 1.093 40 P CB -0.655 31.085 31.700 0.067 0.000 1.551 41 I N 5.385 125.986 120.570 0.052 0.000 2.315 41 I HA 0.292 nan 4.170 nan 0.000 0.291 41 I C -1.429 174.685 176.117 -0.005 0.000 1.006 41 I CA -3.144 58.143 61.300 -0.022 0.000 1.265 41 I CB 0.774 38.728 38.000 -0.077 0.000 1.387 41 I HN -0.408 7.862 8.210 0.100 0.000 0.475 42 P HA -0.005 nan 4.420 nan 0.000 0.270 42 P C -0.332 176.965 177.300 -0.005 0.000 1.223 42 P CA -0.268 62.825 63.100 -0.012 0.000 0.785 42 P CB 0.663 32.348 31.700 -0.025 0.000 0.923 43 R N 2.042 122.543 120.500 0.003 0.000 2.236 43 R HA -0.091 nan 4.340 nan 0.000 0.208 43 R C 0.552 176.856 176.300 0.007 0.000 1.036 43 R CA 1.894 58.000 56.100 0.011 0.000 1.001 43 R CB -0.280 30.028 30.300 0.014 0.000 0.896 43 R HN 0.399 8.670 8.270 0.002 0.000 0.464 44 G N -2.466 106.330 108.800 -0.007 0.000 2.598 44 G HA2 -0.063 nan 3.960 nan 0.000 0.215 44 G HA3 -0.063 nan 3.960 nan 0.000 0.215 44 G C -1.136 173.753 174.900 -0.018 0.000 1.131 44 G CA 0.044 45.134 45.100 -0.017 0.000 0.785 44 G HN -0.087 8.138 8.290 -0.011 0.058 0.539 45 V N 3.047 122.952 119.914 -0.015 0.000 2.406 45 V HA 0.438 nan 4.120 nan 0.000 0.272 45 V C -0.788 175.319 176.094 0.021 0.000 1.043 45 V CA -0.040 62.251 62.300 -0.014 0.000 0.915 45 V CB -0.549 31.250 31.823 -0.042 0.000 0.988 45 V HN -0.735 7.284 8.190 -0.014 0.163 0.466 46 V N 2.856 122.796 119.914 0.044 0.000 3.158 46 V HA 0.968 nan 4.120 nan 0.000 0.315 46 V C -2.169 174.008 176.094 0.138 0.000 1.148 46 V CA -3.737 58.618 62.300 0.092 0.000 1.042 46 V CB 3.861 35.739 31.823 0.092 0.000 1.101 46 V HN 0.874 8.977 8.190 0.029 0.104 0.448 47 F N 2.057 122.033 119.950 0.045 0.000 2.405 47 F HA 0.694 nan 4.527 nan 0.000 0.355 47 F C -2.212 173.636 175.800 0.081 0.000 1.121 47 F CA -1.744 56.301 58.000 0.075 0.000 1.112 47 F CB 2.168 41.191 39.000 0.038 0.000 1.126 47 F HN -0.367 8.109 8.300 0.293 0.000 0.481 48 A N 7.749 130.223 122.820 -0.576 0.000 2.401 48 A HA 0.827 nan 4.320 nan 0.000 0.310 48 A C -2.774 174.480 177.584 -0.551 0.000 1.075 48 A CA -1.781 50.027 52.037 -0.382 0.000 0.746 48 A CB 3.568 22.474 19.000 -0.157 0.000 1.277 48 A HN 0.773 8.539 8.150 -0.641 0.000 0.425 49 R N 2.251 122.595 120.500 -0.260 0.000 2.265 49 R HA 0.653 nan 4.340 nan 0.000 0.319 49 R C -1.123 175.121 176.300 -0.093 0.000 1.006 49 R CA -1.454 54.556 56.100 -0.149 0.000 0.880 49 R CB 2.122 32.430 30.300 0.013 0.000 1.077 49 R HN 0.257 8.450 8.270 -0.128 0.000 0.454 50 V N 7.621 127.482 119.914 -0.087 0.000 2.405 50 V HA 0.155 nan 4.120 nan 0.000 0.264 50 V C 0.150 176.217 176.094 -0.045 0.000 1.048 50 V CA 0.985 63.245 62.300 -0.066 0.000 0.966 50 V CB -1.252 30.527 31.823 -0.072 0.000 1.015 50 V HN 0.579 8.711 8.190 -0.096 0.000 0.477 51 L N 8.668 129.869 121.223 -0.036 0.000 2.131 51 L HA -0.088 nan 4.340 nan 0.000 0.206 51 L C 0.217 177.054 176.870 -0.055 0.000 1.087 51 L CA 2.655 57.478 54.840 -0.029 0.000 0.767 51 L CB 0.610 42.662 42.059 -0.011 0.000 0.917 51 L HN 0.514 8.724 8.230 -0.033 0.000 0.441 52 E N -3.689 116.459 120.200 -0.087 0.000 2.390 52 E HA 0.142 nan 4.350 nan 0.000 0.280 52 E C -2.344 174.112 176.600 -0.240 0.000 0.992 52 E CA -0.928 55.360 56.400 -0.187 0.000 0.790 52 E CB 4.168 33.727 29.700 -0.236 0.000 1.248 52 E HN -0.745 7.575 8.360 -0.067 0.000 0.447 53 A N 3.289 125.923 122.820 -0.310 0.000 2.332 53 A HA 0.635 nan 4.320 nan 0.000 0.300 53 A C -1.131 176.280 177.584 -0.289 0.000 1.153 53 A CA -0.652 51.255 52.037 -0.217 0.000 0.764 53 A CB 1.610 20.543 19.000 -0.112 0.000 1.174 53 A HN 0.282 8.244 8.150 -0.315 0.000 0.467 54 H N 3.913 122.977 119.070 -0.010 0.000 2.481 54 H HA 0.422 nan 4.556 nan 0.000 0.333 54 H C -2.171 173.152 175.328 -0.008 0.000 1.066 54 H CA -2.663 53.380 56.048 -0.008 0.000 1.209 54 H CB 1.179 30.937 29.762 -0.008 0.000 1.445 54 H HN 0.517 8.710 8.280 0.030 0.105 0.488 55 P HA 0.241 nan 4.420 nan 0.000 0.279 55 P C -0.892 176.439 177.300 0.052 0.000 1.239 55 P CA -0.452 62.683 63.100 0.058 0.000 0.789 55 P CB 0.871 32.593 31.700 0.037 0.000 0.933 56 I N 2.814 123.403 120.570 0.032 0.000 2.312 56 I HA 0.309 nan 4.170 nan 0.000 0.291 56 I C -1.011 175.113 176.117 0.012 0.000 1.031 56 I CA -2.636 58.675 61.300 0.019 0.000 1.293 56 I CB 0.573 38.581 38.000 0.013 0.000 1.403 56 I HN 0.380 8.606 8.210 0.027 0.000 0.484 57 P HA -0.172 nan 4.420 nan 0.000 0.260 57 P C 0.045 177.347 177.300 0.003 0.000 1.172 57 P CA 1.867 64.969 63.100 0.005 0.000 0.760 57 P CB -0.107 31.593 31.700 0.001 0.000 0.773 58 G N 2.758 111.560 108.800 0.003 0.000 2.162 58 G HA2 -0.244 nan 3.960 nan 0.000 0.260 58 G HA3 -0.244 nan 3.960 nan 0.000 0.260 58 G C -0.869 174.031 174.900 0.001 0.000 0.976 58 G CA 0.112 45.213 45.100 0.001 0.000 0.655 58 G HN 0.424 8.716 8.290 0.004 0.000 0.533 59 T N -3.545 111.010 114.554 0.002 0.000 2.864 59 T HA 0.258 nan 4.350 nan 0.000 0.289 59 T C -1.654 173.047 174.700 0.002 0.000 1.082 59 T CA -1.464 60.637 62.100 0.001 0.000 1.009 59 T CB 2.604 71.472 68.868 0.001 0.000 1.234 59 T HN -0.286 7.910 8.240 0.004 0.046 0.526 60 R N -1.566 118.933 120.500 -0.001 0.000 2.427 60 R HA 0.310 nan 4.340 nan 0.000 0.262 60 R C -0.896 175.403 176.300 -0.002 0.000 0.943 60 R CA -0.431 55.668 56.100 -0.001 0.000 1.081 60 R CB -0.324 29.974 30.300 -0.004 0.000 1.166 60 R HN 0.306 8.575 8.270 -0.002 0.000 0.534 61 L N 0.231 121.454 121.223 0.000 0.000 2.399 61 L HA 0.402 nan 4.340 nan 0.000 0.265 61 L C -0.907 175.968 176.870 0.008 0.000 1.089 61 L CA -0.748 54.093 54.840 0.001 0.000 0.802 61 L CB 1.254 43.313 42.059 0.001 0.000 1.180 61 L HN -0.362 7.788 8.230 0.002 0.081 0.454 62 K N -0.392 120.014 120.400 0.009 0.000 2.385 62 K HA 0.717 nan 4.320 nan 0.000 0.248 62 K C -2.119 174.498 176.600 0.028 0.000 0.955 62 K CA -1.531 54.768 56.287 0.020 0.000 0.816 62 K CB 3.942 36.447 32.500 0.007 0.000 1.250 62 K HN 0.622 8.768 8.250 0.003 0.106 0.434 63 R N 3.183 123.718 120.500 0.058 0.000 2.247 63 R HA 0.541 nan 4.340 nan 0.000 0.329 63 R C -1.195 175.156 176.300 0.086 0.000 1.014 63 R CA -1.021 55.123 56.100 0.072 0.000 0.907 63 R CB 0.704 31.057 30.300 0.089 0.000 1.146 63 R HN 0.933 9.130 8.270 0.080 0.121 0.499 64 L N 7.539 128.787 121.223 0.040 0.000 2.326 64 L HA 0.537 nan 4.340 nan 0.000 0.278 64 L C -1.373 175.518 176.870 0.035 0.000 1.092 64 L CA -0.285 54.563 54.840 0.014 0.000 0.810 64 L CB 0.997 43.048 42.059 -0.013 0.000 1.153 64 L HN 0.884 9.132 8.230 0.030 0.000 0.439 65 V N 3.777 123.709 119.914 0.030 0.000 2.347 65 V HA 0.559 nan 4.120 nan 0.000 0.280 65 V C -1.157 174.939 176.094 0.003 0.000 1.021 65 V CA -0.864 61.459 62.300 0.038 0.000 0.847 65 V CB -0.141 31.727 31.823 0.075 0.000 0.990 65 V HN 0.548 8.738 8.190 -0.001 0.000 0.444 66 L N 6.013 127.236 121.223 0.000 0.000 2.334 66 L HA 0.707 nan 4.340 nan 0.000 0.276 66 L C -1.559 175.304 176.870 -0.011 0.000 1.014 66 L CA -1.701 53.129 54.840 -0.016 0.000 0.815 66 L CB 2.244 44.292 42.059 -0.019 0.000 1.268 66 L HN 0.940 9.176 8.230 0.009 0.000 0.428 67 D N 2.609 123.001 120.400 -0.013 0.000 2.411 67 D HA 0.165 nan 4.640 nan 0.000 0.225 67 D C -1.248 175.058 176.300 0.009 0.000 1.156 67 D CA -0.911 53.091 54.000 0.003 0.000 0.874 67 D CB 0.751 41.561 40.800 0.017 0.000 1.034 67 D HN 0.717 9.073 8.370 -0.024 0.000 0.502 68 A N 6.706 129.537 122.820 0.018 0.000 2.855 68 A HA 0.455 nan 4.320 nan 0.000 0.301 68 A C -0.475 177.142 177.584 0.056 0.000 1.076 68 A CA -1.819 50.242 52.037 0.041 0.000 1.004 68 A CB -0.256 18.776 19.000 0.054 0.000 1.152 68 A HN 0.578 8.733 8.150 0.010 0.000 0.531 69 G N -1.289 107.541 108.800 0.050 0.000 2.490 69 G HA2 -0.283 nan 3.960 nan 0.000 0.214 69 G HA3 -0.283 nan 3.960 nan 0.000 0.214 69 G C -1.569 173.342 174.900 0.020 0.000 1.151 69 G CA -0.039 45.088 45.100 0.044 0.000 0.684 69 G HN -0.066 8.442 8.290 0.048 -0.190 0.518 70 R N -1.095 119.407 120.500 0.004 0.000 2.854 70 R HA 0.306 nan 4.340 nan 0.000 0.271 70 R C -1.910 174.366 176.300 -0.040 0.000 0.996 70 R CA -1.733 54.350 56.100 -0.029 0.000 0.961 70 R CB 1.824 32.089 30.300 -0.058 0.000 1.182 70 R HN -0.796 7.375 8.270 0.013 0.107 0.479 71 T N 4.608 119.130 114.554 -0.053 0.000 2.737 71 T HA 0.290 nan 4.350 nan 0.000 0.296 71 T C -0.319 174.327 174.700 -0.090 0.000 0.922 71 T CA 0.537 62.608 62.100 -0.048 0.000 1.079 71 T CB -0.670 68.177 68.868 -0.034 0.000 0.892 71 T HN 0.033 8.240 8.240 -0.054 0.000 0.514 72 V N 1.795 121.667 119.914 -0.070 0.000 3.158 72 V HA 0.627 nan 4.120 nan 0.000 0.315 72 V C -2.227 173.861 176.094 -0.009 0.000 1.148 72 V CA -3.626 58.617 62.300 -0.095 0.000 1.042 72 V CB 3.534 35.327 31.823 -0.050 0.000 1.101 72 V HN 0.617 8.788 8.190 -0.031 0.000 0.448 73 E N -1.051 119.164 120.200 0.024 0.000 2.266 73 E HA 0.765 nan 4.350 nan 0.000 0.268 73 E C -1.913 174.737 176.600 0.084 0.000 0.879 73 E CA -1.122 55.307 56.400 0.048 0.000 0.762 73 E CB 4.087 33.807 29.700 0.033 0.000 1.199 73 E HN 0.130 8.506 8.360 0.026 0.000 0.422 74 V N 2.415 122.365 119.914 0.060 0.000 2.841 74 V HA 0.658 nan 4.120 nan 0.000 0.310 74 V C -1.822 174.290 176.094 0.029 0.000 1.090 74 V CA -1.120 61.211 62.300 0.051 0.000 0.930 74 V CB 4.013 35.857 31.823 0.035 0.000 1.014 74 V HN 0.715 8.933 8.190 0.047 0.000 0.425 75 V N 6.042 125.968 119.914 0.021 0.000 2.539 75 V HA 0.643 nan 4.120 nan 0.000 0.292 75 V C -1.535 174.558 176.094 -0.003 0.000 1.045 75 V CA -1.417 60.889 62.300 0.012 0.000 0.945 75 V CB 0.858 32.686 31.823 0.010 0.000 0.993 75 V HN 0.397 8.600 8.190 0.021 0.000 0.464 76 S N 4.972 120.668 115.700 -0.007 0.000 2.535 76 S HA 0.320 nan 4.470 nan 0.000 0.272 76 S C -0.694 173.896 174.600 -0.017 0.000 1.149 76 S CA -0.335 57.854 58.200 -0.018 0.000 0.888 76 S CB 3.354 66.538 63.200 -0.026 0.000 1.110 76 S HN 0.645 8.954 8.310 -0.001 0.000 0.463 77 G N 2.000 110.787 108.800 -0.022 0.000 3.575 77 G HA2 0.271 nan 3.960 nan 0.000 0.273 77 G HA3 0.271 nan 3.960 nan 0.000 0.273 77 G C -1.492 173.393 174.900 -0.024 0.000 1.053 77 G CA -1.197 43.891 45.100 -0.020 0.000 0.803 77 G HN 0.406 8.680 8.290 -0.028 0.000 0.528 78 A N 0.820 123.622 122.820 -0.029 0.000 2.492 78 A HA 0.024 nan 4.320 nan 0.000 0.254 78 A C 1.122 178.695 177.584 -0.017 0.000 1.091 78 A CA -0.056 51.964 52.037 -0.029 0.000 0.768 78 A CB 0.320 19.299 19.000 -0.036 0.000 1.028 78 A HN -0.741 7.316 8.150 -0.030 0.075 0.498 79 E N 2.703 122.898 120.200 -0.008 0.000 2.396 79 E HA -0.307 nan 4.350 nan 0.000 0.200 79 E C -0.311 176.289 176.600 0.000 0.000 1.023 79 E CA 2.505 58.905 56.400 0.000 0.000 0.857 79 E CB -0.695 29.012 29.700 0.012 0.000 0.775 79 E HN 0.757 9.111 8.360 -0.010 0.000 0.525 80 N N -6.410 112.289 118.700 -0.002 0.000 2.197 80 N HA 0.072 nan 4.740 nan 0.000 0.228 80 N C -0.988 174.506 175.510 -0.027 0.000 1.212 80 N CA -0.792 52.252 53.050 -0.009 0.000 0.883 80 N CB 0.184 38.672 38.487 0.002 0.000 1.107 80 N HN -0.528 7.746 8.380 -0.005 0.104 0.519 81 A N 1.317 124.118 122.820 -0.031 0.000 2.409 81 A HA 0.094 nan 4.320 nan 0.000 0.267 81 A C -1.312 176.247 177.584 -0.042 0.000 1.127 81 A CA 0.293 52.304 52.037 -0.043 0.000 0.795 81 A CB 0.175 19.151 19.000 -0.040 0.000 1.061 81 A HN -0.215 7.920 8.150 -0.025 0.000 0.502 82 R N 1.062 121.532 120.500 -0.049 0.000 2.690 82 R HA 0.232 nan 4.340 nan 0.000 0.269 82 R C -2.136 174.131 176.300 -0.056 0.000 1.037 82 R CA -1.373 54.697 56.100 -0.050 0.000 0.877 82 R CB 2.088 32.364 30.300 -0.039 0.000 1.255 82 R HN -0.078 8.159 8.270 -0.055 0.000 0.467 83 K N 0.778 121.141 120.400 -0.062 0.000 2.180 83 K HA -0.117 nan 4.320 nan 0.000 0.251 83 K C 0.768 177.346 176.600 -0.038 0.000 1.014 83 K CA 0.309 56.561 56.287 -0.058 0.000 0.913 83 K CB -0.150 32.308 32.500 -0.071 0.000 1.008 83 K HN 0.252 8.462 8.250 -0.067 0.000 0.490 84 G N 0.232 109.015 108.800 -0.027 0.000 2.137 84 G HA2 -0.427 nan 3.960 nan 0.000 0.237 84 G HA3 -0.427 nan 3.960 nan 0.000 0.237 84 G C -1.720 173.182 174.900 0.004 0.000 1.002 84 G CA 0.247 45.342 45.100 -0.007 0.000 0.702 84 G HN 0.429 8.700 8.290 -0.031 0.000 0.515 85 I N -7.771 112.793 120.570 -0.009 0.000 3.174 85 I HA 0.735 nan 4.170 nan 0.000 0.313 85 I C -1.988 174.118 176.117 -0.018 0.000 1.155 85 I CA -3.128 58.174 61.300 0.003 0.000 0.977 85 I CB 2.923 40.904 38.000 -0.032 0.000 1.248 85 I HN -0.946 7.247 8.210 -0.029 0.000 0.453 86 G N -1.243 107.580 108.800 0.038 0.000 2.371 86 G HA2 0.701 nan 3.960 nan 0.000 0.326 86 G HA3 0.701 nan 3.960 nan 0.000 0.326 86 G C -1.769 173.035 174.900 -0.160 0.000 1.127 86 G CA -1.759 43.271 45.100 -0.116 0.000 0.885 86 G HN 0.254 8.516 8.290 0.112 0.095 0.477 87 V N -4.030 115.709 119.914 -0.292 0.000 3.141 87 V HA 0.655 nan 4.120 nan 0.000 0.312 87 V C -1.911 174.157 176.094 -0.043 0.000 1.157 87 V CA -3.088 59.084 62.300 -0.212 0.000 1.041 87 V CB 4.039 35.753 31.823 -0.182 0.000 1.071 87 V HN 0.865 8.743 8.190 -0.521 0.000 0.441 88 A N 0.169 123.005 122.820 0.027 0.000 2.280 88 A HA 0.732 nan 4.320 nan 0.000 0.320 88 A C -1.667 175.914 177.584 -0.005 0.000 1.366 88 A CA -1.425 50.683 52.037 0.118 0.000 0.938 88 A CB 0.220 19.309 19.000 0.149 0.000 1.157 88 A HN 0.362 8.458 8.150 -0.089 0.000 0.536 89 L N 4.465 125.682 121.223 -0.011 0.000 2.276 89 L HA 0.468 nan 4.340 nan 0.000 0.286 89 L C -2.129 174.727 176.870 -0.025 0.000 1.061 89 L CA -1.416 53.410 54.840 -0.022 0.000 0.807 89 L CB 2.396 44.453 42.059 -0.004 0.000 1.177 89 L HN 0.543 8.777 8.230 0.006 0.000 0.429 90 A N 7.155 129.944 122.820 -0.051 0.000 2.366 90 A HA 0.539 nan 4.320 nan 0.000 0.322 90 A C -0.822 176.698 177.584 -0.108 0.000 1.397 90 A CA -1.954 50.041 52.037 -0.070 0.000 0.984 90 A CB -0.011 18.942 19.000 -0.078 0.000 1.149 90 A HN 0.788 8.796 8.150 -0.056 0.109 0.540 91 L N 4.225 125.384 121.223 -0.106 0.000 2.483 91 L HA -0.018 nan 4.340 nan 0.000 0.276 91 L C -1.132 175.577 176.870 -0.268 0.000 1.213 91 L CA -1.805 52.913 54.840 -0.203 0.000 0.843 91 L CB -0.122 41.878 42.059 -0.098 0.000 1.107 91 L HN 0.413 8.605 8.230 -0.062 0.000 0.487 92 P HA -0.215 nan 4.420 nan 0.000 0.265 92 P C -0.154 177.027 177.300 -0.200 0.000 1.187 92 P CA 0.834 63.727 63.100 -0.345 0.000 0.766 92 P CB -0.046 31.359 31.700 -0.492 0.000 0.820 93 G N 3.931 112.651 108.800 -0.132 0.000 2.254 93 G HA2 -0.364 nan 3.960 nan 0.000 0.225 93 G HA3 -0.364 nan 3.960 nan 0.000 0.225 93 G C -0.360 174.499 174.900 -0.068 0.000 1.003 93 G CA -0.111 44.940 45.100 -0.083 0.000 0.622 93 G HN 0.646 8.742 8.290 -0.131 0.115 0.507 94 T N 5.067 119.573 114.554 -0.080 0.000 2.853 94 T HA -0.117 nan 4.350 nan 0.000 0.298 94 T C -0.670 173.996 174.700 -0.056 0.000 0.978 94 T CA 2.075 64.138 62.100 -0.062 0.000 1.152 94 T CB 0.217 69.043 68.868 -0.069 0.000 0.914 94 T HN -0.338 7.756 8.240 -0.105 0.082 0.539 95 E N 5.947 126.121 120.200 -0.043 0.000 2.167 95 E HA 0.460 nan 4.350 nan 0.000 0.284 95 E C -0.365 176.212 176.600 -0.039 0.000 1.016 95 E CA -0.253 56.124 56.400 -0.037 0.000 0.817 95 E CB 0.963 30.647 29.700 -0.028 0.000 1.080 95 E HN 0.247 8.585 8.360 -0.037 0.000 0.397 96 L N 6.325 127.523 121.223 -0.042 0.000 2.309 96 L HA 0.513 nan 4.340 nan 0.000 0.282 96 L C -0.595 176.252 176.870 -0.037 0.000 1.036 96 L CA -2.924 51.889 54.840 -0.046 0.000 0.806 96 L CB 0.789 42.815 42.059 -0.055 0.000 1.220 96 L HN -0.109 8.096 8.230 -0.042 0.000 0.429 97 P HA -0.071 nan 4.420 nan 0.000 0.215 97 P C 1.515 178.798 177.300 -0.028 0.000 1.157 97 P CA 1.968 65.053 63.100 -0.025 0.000 0.859 97 P CB 0.373 32.062 31.700 -0.019 0.000 0.786 98 G N -0.089 108.687 108.800 -0.040 0.000 2.480 98 G HA2 -0.272 nan 3.960 nan 0.000 0.216 98 G HA3 -0.272 nan 3.960 nan 0.000 0.216 98 G C 0.586 175.462 174.900 -0.040 0.000 1.200 98 G CA 2.041 47.116 45.100 -0.043 0.000 0.782 98 G HN -0.196 8.063 8.290 -0.050 0.000 0.554 99 L N -1.562 119.634 121.223 -0.045 0.000 2.612 99 L HA 0.394 nan 4.340 nan 0.000 0.230 99 L C 0.809 177.659 176.870 -0.035 0.000 1.140 99 L CA -1.403 53.412 54.840 -0.042 0.000 0.896 99 L CB -0.920 41.110 42.059 -0.048 0.000 1.065 99 L HN -0.543 7.656 8.230 -0.051 0.000 0.447 100 G N -2.521 106.260 108.800 -0.031 0.000 2.243 100 G HA2 -0.452 nan 3.960 nan 0.000 0.276 100 G HA3 -0.452 nan 3.960 nan 0.000 0.276 100 G C -0.620 174.264 174.900 -0.027 0.000 0.997 100 G CA 1.239 46.323 45.100 -0.026 0.000 0.693 100 G HN -0.348 7.744 8.290 -0.032 0.179 0.529 101 Q N -1.761 118.019 119.800 -0.032 0.000 2.486 101 Q HA 0.274 nan 4.340 nan 0.000 0.274 101 Q C -1.081 174.896 176.000 -0.038 0.000 1.076 101 Q CA -1.750 54.034 55.803 -0.032 0.000 0.872 101 Q CB 1.948 30.667 28.738 -0.033 0.000 1.383 101 Q HN -0.412 7.740 8.270 -0.036 0.096 0.478 102 K N -0.070 120.307 120.400 -0.039 0.000 2.183 102 K HA 0.406 nan 4.320 nan 0.000 0.274 102 K C -0.287 176.279 176.600 -0.056 0.000 1.009 102 K CA -1.177 55.083 56.287 -0.046 0.000 0.888 102 K CB 1.192 33.668 32.500 -0.041 0.000 1.078 102 K HN 0.069 8.298 8.250 -0.035 0.000 0.459 103 V N 6.375 126.247 119.914 -0.070 0.000 2.614 103 V HA 0.059 nan 4.120 nan 0.000 0.291 103 V C -0.754 175.277 176.094 -0.106 0.000 1.049 103 V CA 0.710 62.957 62.300 -0.089 0.000 1.038 103 V CB 0.911 32.671 31.823 -0.105 0.000 0.980 103 V HN 0.677 8.825 8.190 -0.069 0.000 0.481 104 G N 4.993 113.729 108.800 -0.107 0.000 2.672 104 G HA2 0.259 nan 3.960 nan 0.000 0.292 104 G HA3 0.259 nan 3.960 nan 0.000 0.292 104 G C -2.511 172.315 174.900 -0.122 0.000 1.375 104 G CA -0.719 44.313 45.100 -0.113 0.000 0.890 104 G HN -0.235 7.999 8.290 -0.094 0.000 0.476 105 E N 0.755 120.882 120.200 -0.121 0.000 2.344 105 E HA 0.111 nan 4.350 nan 0.000 0.270 105 E C -1.080 175.511 176.600 -0.015 0.000 1.021 105 E CA 0.298 56.661 56.400 -0.062 0.000 0.887 105 E CB 0.619 30.330 29.700 0.018 0.000 0.997 105 E HN 0.178 8.469 8.360 -0.115 0.000 0.429 106 R N 1.884 122.386 120.500 0.003 0.000 2.739 106 R HA 0.378 nan 4.340 nan 0.000 0.271 106 R C -2.229 174.079 176.300 0.013 0.000 1.010 106 R CA -1.288 54.814 56.100 0.003 0.000 0.897 106 R CB 2.856 33.149 30.300 -0.012 0.000 1.236 106 R HN 0.348 8.625 8.270 0.012 0.000 0.466 107 V N 0.956 120.876 119.914 0.009 0.000 2.432 107 V HA 0.463 nan 4.120 nan 0.000 0.271 107 V C -0.396 175.701 176.094 0.004 0.000 1.046 107 V CA -0.026 62.280 62.300 0.010 0.000 0.945 107 V CB -0.532 31.295 31.823 0.007 0.000 0.992 107 V HN 0.363 8.556 8.190 0.006 0.000 0.471 108 I N 8.154 128.727 120.570 0.005 0.000 2.468 108 I HA 0.251 nan 4.170 nan 0.000 0.284 108 I C -0.701 175.417 176.117 0.002 0.000 1.038 108 I CA -0.608 60.693 61.300 0.001 0.000 1.083 108 I CB 2.136 40.136 38.000 0.000 0.000 1.223 108 I HN 0.927 9.142 8.210 0.009 0.000 0.443 109 Q N 7.233 127.033 119.800 -0.000 0.000 2.439 109 Q HA -0.340 nan 4.340 nan 0.000 0.325 109 Q C 0.096 176.095 176.000 -0.001 0.000 1.372 109 Q CA 0.969 56.771 55.803 -0.001 0.000 0.909 109 Q CB -1.905 26.833 28.738 -0.001 0.000 1.167 109 Q HN 0.902 9.172 8.270 -0.002 0.000 0.418 110 G N -5.068 103.731 108.800 -0.001 0.000 2.234 110 G HA2 -0.408 nan 3.960 nan 0.000 0.260 110 G HA3 -0.408 nan 3.960 nan 0.000 0.260 110 G C -1.312 173.587 174.900 -0.001 0.000 0.987 110 G CA 0.010 45.109 45.100 -0.003 0.000 0.625 110 G HN 0.019 8.308 8.290 -0.000 0.000 0.532 111 V N -0.488 119.427 119.914 0.003 0.000 2.513 111 V HA 0.411 nan 4.120 nan 0.000 0.299 111 V C -2.019 174.086 176.094 0.017 0.000 1.035 111 V CA -2.536 59.769 62.300 0.007 0.000 0.889 111 V CB 2.255 34.083 31.823 0.009 0.000 0.988 111 V HN -0.372 7.641 8.190 0.004 0.179 0.440 112 R N 5.901 126.416 120.500 0.025 0.000 2.196 112 R HA 0.386 nan 4.340 nan 0.000 0.340 112 R C -0.674 175.668 176.300 0.070 0.000 1.043 112 R CA -1.554 54.572 56.100 0.043 0.000 0.883 112 R CB -0.024 30.305 30.300 0.048 0.000 1.078 112 R HN 0.337 8.619 8.270 0.020 0.000 0.462 113 S N 3.593 119.332 115.700 0.065 0.000 2.448 113 S HA 0.028 nan 4.470 nan 0.000 0.279 113 S C -0.955 173.721 174.600 0.125 0.000 1.195 113 S CA 0.127 58.374 58.200 0.079 0.000 1.051 113 S CB 0.770 63.990 63.200 0.033 0.000 0.948 113 S HN 0.570 8.907 8.310 0.044 0.000 0.493 114 F N 10.867 130.809 119.950 -0.013 0.000 2.626 114 F HA -0.109 nan 4.527 nan 0.000 0.353 114 F C -1.002 174.788 175.800 -0.016 0.000 1.230 114 F CA -0.521 57.472 58.000 -0.013 0.000 1.298 114 F CB -0.625 38.369 39.000 -0.010 0.000 1.670 114 F HN 0.122 8.581 8.300 0.265 0.000 0.633 115 G N 6.288 114.973 108.800 -0.192 0.000 2.512 115 G HA2 -0.250 nan 3.960 nan 0.000 0.210 115 G HA3 -0.250 nan 3.960 nan 0.000 0.210 115 G C -2.551 172.300 174.900 -0.081 0.000 1.295 115 G CA -0.320 44.663 45.100 -0.194 0.000 0.934 115 G HN -0.389 7.777 8.290 -0.136 0.042 0.554 116 M N -4.008 115.548 119.600 -0.073 0.000 2.365 116 M HA 0.405 nan 4.480 nan 0.000 0.288 116 M C -2.092 174.175 176.300 -0.054 0.000 1.152 116 M CA -0.488 54.781 55.300 -0.053 0.000 0.948 116 M CB 3.515 36.081 32.600 -0.058 0.000 1.729 116 M HN -0.155 8.081 8.290 -0.089 0.000 0.487 117 A N 2.142 124.932 122.820 -0.050 0.000 2.462 117 A HA 0.359 nan 4.320 nan 0.000 0.243 117 A C -0.753 176.787 177.584 -0.074 0.000 1.076 117 A CA 0.022 52.021 52.037 -0.063 0.000 0.773 117 A CB 0.100 19.059 19.000 -0.067 0.000 1.010 117 A HN 0.208 8.333 8.150 -0.042 0.000 0.493 118 L N 1.352 122.524 121.223 -0.084 0.000 2.334 118 L HA 0.470 nan 4.340 nan 0.000 0.272 118 L C -0.344 176.464 176.870 -0.103 0.000 1.020 118 L CA -1.438 53.346 54.840 -0.093 0.000 0.812 118 L CB 1.933 43.934 42.059 -0.098 0.000 1.264 118 L HN 0.256 8.436 8.230 -0.083 0.000 0.439 119 S N 0.386 116.026 115.700 -0.099 0.000 2.651 119 S HA 0.481 nan 4.470 nan 0.000 0.291 119 S C -1.202 173.350 174.600 -0.080 0.000 1.141 119 S CA -2.575 55.575 58.200 -0.083 0.000 1.027 119 S CB 0.287 63.411 63.200 -0.126 0.000 1.043 119 S HN -0.101 8.384 8.310 -0.100 -0.236 0.530 120 P HA -0.302 nan 4.420 nan 0.000 0.217 120 P C 0.920 178.146 177.300 -0.123 0.000 1.151 120 P CA 3.191 66.249 63.100 -0.071 0.000 0.849 120 P CB 0.041 31.864 31.700 0.205 0.000 0.787 121 R N -2.937 117.522 120.500 -0.067 0.000 2.073 121 R HA -0.268 nan 4.340 nan 0.000 0.229 121 R C 1.127 177.377 176.300 -0.083 0.000 1.120 121 R CA 2.601 58.661 56.100 -0.067 0.000 0.967 121 R CB -0.238 30.023 30.300 -0.066 0.000 0.862 121 R HN -0.193 8.032 8.270 -0.057 0.011 0.436 122 E N -2.533 117.609 120.200 -0.096 0.000 2.150 122 E HA -0.186 nan 4.350 nan 0.000 0.193 122 E C 1.928 178.466 176.600 -0.103 0.000 0.985 122 E CA 2.502 58.848 56.400 -0.090 0.000 0.814 122 E CB 0.239 29.885 29.700 -0.090 0.000 0.752 122 E HN -0.638 7.661 8.360 -0.102 0.000 0.466 123 L N -2.886 118.253 121.223 -0.140 0.000 2.313 123 L HA -0.154 nan 4.340 nan 0.000 0.214 123 L C 0.618 177.394 176.870 -0.158 0.000 1.119 123 L CA 0.900 55.634 54.840 -0.176 0.000 0.809 123 L CB 0.477 42.373 42.059 -0.272 0.000 0.933 123 L HN -0.473 7.650 8.230 -0.151 0.016 0.449 124 G N -2.200 106.522 108.800 -0.131 0.000 2.141 124 G HA2 -0.388 nan 3.960 nan 0.000 0.242 124 G HA3 -0.388 nan 3.960 nan 0.000 0.242 124 G C 0.343 175.213 174.900 -0.050 0.000 0.982 124 G CA 0.280 45.339 45.100 -0.067 0.000 0.662 124 G HN -0.398 7.654 8.290 -0.134 0.158 0.527 125 V N -4.206 115.583 119.914 -0.208 0.000 3.541 125 V HA 0.444 nan 4.120 nan 0.000 0.267 125 V C -0.806 175.115 176.094 -0.289 0.000 1.213 125 V CA -1.195 60.940 62.300 -0.274 0.000 1.149 125 V CB -0.329 31.004 31.823 -0.817 0.000 0.822 125 V HN -0.514 7.453 8.190 -0.296 0.046 0.462 126 G N -1.224 107.478 108.800 -0.164 0.000 2.523 126 G HA2 0.301 nan 3.960 nan 0.000 0.291 126 G HA3 0.301 nan 3.960 nan 0.000 0.291 126 G C -2.350 172.614 174.900 0.107 0.000 1.450 126 G CA -0.144 44.992 45.100 0.061 0.000 0.790 126 G HN -0.936 7.223 8.290 -0.143 0.046 0.496 127 E N -1.411 118.895 120.200 0.176 0.000 2.158 127 E HA -0.166 nan 4.350 nan 0.000 0.191 127 E C -0.227 176.463 176.600 0.149 0.000 0.982 127 E CA 0.635 57.115 56.400 0.133 0.000 0.823 127 E CB 0.446 30.223 29.700 0.129 0.000 0.766 127 E HN 0.075 8.572 8.360 0.228 0.000 0.468 128 Y N 1.294 121.653 120.300 0.099 0.000 2.721 128 Y HA -0.162 nan 4.550 nan 0.000 0.329 128 Y C -0.352 175.572 175.900 0.042 0.000 1.211 128 Y CA 0.274 58.423 58.100 0.081 0.000 1.512 128 Y CB 0.673 39.208 38.460 0.126 0.000 1.249 128 Y HN -0.619 7.850 8.280 0.365 0.031 0.549 129 G N 4.295 112.709 108.800 -0.644 0.000 3.979 129 G HA2 -0.059 nan 3.960 nan 0.000 0.287 129 G HA3 -0.059 nan 3.960 nan 0.000 0.287 129 G C -0.339 174.155 174.900 -0.678 0.000 1.011 129 G CA -0.134 44.642 45.100 -0.540 0.000 0.818 129 G HN 0.347 8.279 8.290 -0.597 0.000 0.470 130 G N -1.736 106.285 108.800 -1.299 0.000 3.233 130 G HA2 0.096 nan 3.960 nan 0.000 0.227 130 G HA3 0.096 nan 3.960 nan 0.000 0.227 130 G C -1.157 173.580 174.900 -0.271 0.000 1.175 130 G CA -0.357 44.376 45.100 -0.612 0.000 0.781 130 G HN -0.044 6.632 8.290 -2.689 0.000 0.542 131 G N -2.449 106.191 108.800 -0.267 0.000 2.489 131 G HA2 0.089 nan 3.960 nan 0.000 0.291 131 G HA3 0.089 nan 3.960 nan 0.000 0.291 131 G C -2.336 172.593 174.900 0.049 0.000 1.487 131 G CA -0.574 44.550 45.100 0.039 0.000 0.795 131 G HN -0.604 7.320 8.290 -0.505 0.063 0.513 132 L N -0.400 120.824 121.223 0.003 0.000 2.467 132 L HA 0.222 nan 4.340 nan 0.000 0.270 132 L C 0.307 177.137 176.870 -0.066 0.000 1.205 132 L CA -0.058 54.749 54.840 -0.055 0.000 0.828 132 L CB 0.626 42.630 42.059 -0.092 0.000 1.101 132 L HN 0.029 8.257 8.230 -0.005 0.000 0.479 133 L N 1.321 122.443 121.223 -0.168 0.000 2.426 133 L HA -0.077 nan 4.340 nan 0.000 0.271 133 L C -0.414 176.134 176.870 -0.538 0.000 1.169 133 L CA -0.196 54.461 54.840 -0.304 0.000 0.836 133 L CB -0.087 41.701 42.059 -0.451 0.000 1.112 133 L HN 0.008 8.137 8.230 -0.169 0.000 0.465 134 E N 1.822 121.734 120.200 -0.480 0.000 2.155 134 E HA 0.213 nan 4.350 nan 0.000 0.264 134 E C -1.547 174.860 176.600 -0.321 0.000 0.886 134 E CA -1.202 54.975 56.400 -0.371 0.000 0.752 134 E CB 1.840 31.451 29.700 -0.149 0.000 1.133 134 E HN -0.026 8.141 8.360 -0.320 0.000 0.414 135 F N 2.957 122.980 119.950 0.122 0.000 2.541 135 F HA 0.470 nan 4.527 nan 0.000 0.331 135 F C -2.202 173.698 175.800 0.168 0.000 1.057 135 F CA -3.311 54.804 58.000 0.192 0.000 0.975 135 F CB 0.589 39.832 39.000 0.406 0.000 1.246 135 F HN 0.501 8.565 8.300 -0.214 0.108 0.484 136 P HA 0.004 nan 4.420 nan 0.000 0.269 136 P C 0.188 177.677 177.300 0.316 0.000 1.209 136 P CA -0.065 63.163 63.100 0.213 0.000 0.776 136 P CB 0.462 32.234 31.700 0.120 0.000 0.876 137 E N 2.843 123.174 120.200 0.218 0.000 2.114 137 E HA -0.479 nan 4.350 nan 0.000 0.199 137 E C -0.670 176.129 176.600 0.332 0.000 1.008 137 E CA 3.337 59.880 56.400 0.238 0.000 0.810 137 E CB -0.021 29.752 29.700 0.121 0.000 0.739 137 E HN 0.715 9.159 8.360 0.141 0.000 0.456 138 D N -4.929 115.590 120.400 0.198 0.000 2.427 138 D HA 0.057 nan 4.640 nan 0.000 0.224 138 D C -0.560 175.716 176.300 -0.041 0.000 1.157 138 D CA -0.761 53.305 54.000 0.111 0.000 0.828 138 D CB -1.142 39.691 40.800 0.056 0.000 0.974 138 D HN -0.567 7.877 8.370 0.146 0.013 0.498 139 A N 0.257 123.014 122.820 -0.105 0.000 1.917 139 A HA -0.249 nan 4.320 nan 0.000 0.219 139 A C -0.662 176.607 177.584 -0.525 0.000 1.182 139 A CA 2.617 54.462 52.037 -0.321 0.000 0.633 139 A CB 0.572 19.369 19.000 -0.339 0.000 0.819 139 A HN -0.100 7.965 8.150 0.134 0.165 0.448 140 L N -4.916 115.751 121.223 -0.926 0.000 2.479 140 L HA 0.365 nan 4.340 nan 0.000 0.255 140 L C -2.837 173.861 176.870 -0.286 0.000 1.026 140 L CA -3.573 50.887 54.840 -0.633 0.000 0.842 140 L CB 2.121 43.722 42.059 -0.765 0.000 1.444 140 L HN -0.483 6.941 8.230 -1.327 0.010 0.409 141 P HA 0.300 nan 4.420 nan 0.000 0.271 141 P C -2.322 175.079 177.300 0.169 0.000 1.226 141 P CA -1.297 61.830 63.100 0.045 0.000 0.765 141 P CB -0.326 31.386 31.700 0.019 0.000 0.835 142 P HA -0.428 nan 4.420 nan 0.000 0.260 142 P C -0.260 177.145 177.300 0.175 0.000 1.172 142 P CA 1.007 64.264 63.100 0.261 0.000 0.760 142 P CB -0.482 31.309 31.700 0.152 0.000 0.773 143 G N 4.660 113.573 108.800 0.187 0.000 2.349 143 G HA2 -0.301 nan 3.960 nan 0.000 0.213 143 G HA3 -0.301 nan 3.960 nan 0.000 0.213 143 G C -0.003 174.969 174.900 0.120 0.000 1.044 143 G CA -0.134 45.042 45.100 0.127 0.000 0.633 143 G HN 0.633 9.070 8.290 0.246 0.000 0.506 144 T N 2.950 117.576 114.554 0.120 0.000 2.871 144 T HA 0.099 nan 4.350 nan 0.000 0.296 144 T C -2.076 172.681 174.700 0.095 0.000 0.998 144 T CA -1.539 60.607 62.100 0.077 0.000 1.162 144 T CB -0.611 68.277 68.868 0.034 0.000 0.947 144 T HN -0.177 8.073 8.240 0.139 0.074 0.536 145 P HA -0.071 nan 4.420 nan 0.000 0.264 145 P C -0.126 177.209 177.300 0.058 0.000 1.193 145 P CA -0.165 62.972 63.100 0.063 0.000 0.763 145 P CB 0.262 31.989 31.700 0.045 0.000 0.810 146 L N 5.601 126.859 121.223 0.059 0.000 2.042 146 L HA -0.381 nan 4.340 nan 0.000 0.210 146 L C 1.591 178.504 176.870 0.070 0.000 1.076 146 L CA 3.090 57.957 54.840 0.044 0.000 0.749 146 L CB -0.200 41.853 42.059 -0.010 0.000 0.893 146 L HN -0.071 8.192 8.230 0.056 0.000 0.432 147 S N -1.147 114.589 115.700 0.061 0.000 2.389 147 S HA -0.428 nan 4.470 nan 0.000 0.231 147 S C 2.629 177.295 174.600 0.110 0.000 1.052 147 S CA 3.590 61.848 58.200 0.097 0.000 1.053 147 S CB -0.678 62.562 63.200 0.068 0.000 0.886 147 S HN 0.249 8.580 8.310 0.035 0.000 0.456 148 E N 0.644 120.886 120.200 0.070 0.000 2.265 148 E HA -0.205 nan 4.350 nan 0.000 0.196 148 E C 0.699 177.325 176.600 0.044 0.000 0.996 148 E CA 2.128 58.558 56.400 0.050 0.000 0.832 148 E CB -0.057 29.659 29.700 0.026 0.000 0.756 148 E HN -0.384 7.999 8.360 0.057 0.011 0.491 149 A N -2.504 120.352 122.820 0.060 0.000 2.324 149 A HA 0.093 nan 4.320 nan 0.000 0.220 149 A C -0.879 176.771 177.584 0.111 0.000 1.209 149 A CA 0.208 52.265 52.037 0.033 0.000 0.918 149 A CB 1.634 20.608 19.000 -0.043 0.000 0.959 149 A HN 0.134 8.167 8.150 0.074 0.162 0.507 150 W N 0.272 121.546 121.300 -0.045 0.000 2.291 150 W HA 0.402 nan 4.660 nan 0.000 0.288 150 W C -3.277 173.289 176.519 0.077 0.000 0.976 150 W CA -3.818 53.517 57.345 -0.017 0.000 1.744 150 W CB 1.259 30.650 29.460 -0.114 0.000 1.815 150 W HN -0.331 7.867 8.180 0.250 0.131 0.396 151 P HA 0.082 nan 4.420 nan 0.000 0.274 151 P C -0.946 176.590 177.300 0.394 0.000 1.237 151 P CA -0.630 62.636 63.100 0.278 0.000 0.793 151 P CB 0.731 32.529 31.700 0.163 0.000 0.977 152 E N -0.808 119.564 120.200 0.287 0.000 2.422 152 E HA -0.179 nan 4.350 nan 0.000 0.260 152 E C -0.221 176.449 176.600 0.117 0.000 1.108 152 E CA 0.773 57.308 56.400 0.225 0.000 0.943 152 E CB 0.739 30.509 29.700 0.117 0.000 0.961 152 E HN 0.161 8.650 8.360 0.215 0.000 0.443 153 E N 0.175 120.330 120.200 -0.075 0.000 2.340 153 E HA 0.253 nan 4.350 nan 0.000 0.273 153 E C -2.152 174.386 176.600 -0.104 0.000 0.891 153 E CA -1.004 55.347 56.400 -0.083 0.000 0.757 153 E CB 3.324 32.907 29.700 -0.195 0.000 1.231 153 E HN 0.168 8.408 8.360 -0.199 0.000 0.439 154 V N 4.025 123.932 119.914 -0.012 0.000 2.398 154 V HA 0.641 nan 4.120 nan 0.000 0.286 154 V C -1.522 174.590 176.094 0.029 0.000 1.026 154 V CA -0.775 61.504 62.300 -0.035 0.000 0.868 154 V CB 1.334 33.094 31.823 -0.104 0.000 0.982 154 V HN 0.353 8.587 8.190 0.073 0.000 0.443 155 V N 7.250 127.163 119.914 -0.002 0.000 2.487 155 V HA 0.695 nan 4.120 nan 0.000 0.298 155 V C -1.494 174.612 176.094 0.020 0.000 1.028 155 V CA -1.425 60.892 62.300 0.028 0.000 0.860 155 V CB 2.239 34.068 31.823 0.011 0.000 0.991 155 V HN 1.077 9.135 8.190 -0.031 0.113 0.427 156 L N 6.467 127.709 121.223 0.032 0.000 2.275 156 L HA 0.447 nan 4.340 nan 0.000 0.288 156 L C -1.360 175.512 176.870 0.004 0.000 1.046 156 L CA -0.736 54.114 54.840 0.017 0.000 0.805 156 L CB 1.096 43.170 42.059 0.025 0.000 1.193 156 L HN 0.582 8.841 8.230 0.048 0.000 0.426 157 D N 5.405 125.808 120.400 0.006 0.000 2.468 157 D HA 0.277 nan 4.640 nan 0.000 0.218 157 D C -1.383 174.921 176.300 0.007 0.000 1.155 157 D CA -0.556 53.447 54.000 0.005 0.000 0.924 157 D CB 0.640 41.446 40.800 0.011 0.000 1.029 157 D HN 0.345 8.719 8.370 0.008 0.000 0.515 158 L N 3.337 124.557 121.223 -0.005 0.000 2.418 158 L HA 0.225 nan 4.340 nan 0.000 0.265 158 L C -0.451 176.440 176.870 0.034 0.000 1.143 158 L CA -0.263 54.583 54.840 0.010 0.000 0.809 158 L CB 0.867 42.902 42.059 -0.041 0.000 1.124 158 L HN -0.124 8.092 8.230 -0.023 0.000 0.456 159 E N 2.448 122.693 120.200 0.076 0.000 2.115 159 E HA 0.063 nan 4.350 nan 0.000 0.282 159 E C -1.238 175.456 176.600 0.157 0.000 0.987 159 E CA -1.039 55.415 56.400 0.090 0.000 0.797 159 E CB 0.782 30.530 29.700 0.080 0.000 1.086 159 E HN -0.013 8.302 8.360 0.093 0.102 0.397 160 V N 6.443 126.442 119.914 0.141 0.000 2.275 160 V HA 0.185 nan 4.120 nan 0.000 0.272 160 V C -0.445 175.747 176.094 0.164 0.000 1.028 160 V CA -1.305 61.118 62.300 0.205 0.000 0.810 160 V CB 0.110 31.990 31.823 0.095 0.000 1.043 160 V HN 0.335 8.589 8.190 0.107 0.000 0.453 161 T N 5.062 119.706 114.554 0.151 0.000 2.906 161 T HA 0.160 nan 4.350 nan 0.000 0.320 161 T C -0.211 174.535 174.700 0.076 0.000 1.088 161 T CA -1.019 61.131 62.100 0.083 0.000 1.120 161 T CB -0.667 68.220 68.868 0.032 0.000 1.000 161 T HN 0.246 8.593 8.240 0.179 0.000 0.550 162 P HA -0.188 nan 4.420 nan 0.000 0.218 162 P C -0.366 176.953 177.300 0.032 0.000 1.146 162 P CA 1.911 65.036 63.100 0.042 0.000 0.813 162 P CB -0.006 31.720 31.700 0.042 0.000 0.778 163 N N -5.567 113.151 118.700 0.030 0.000 2.459 163 N HA -0.238 nan 4.740 nan 0.000 0.181 163 N C -0.023 175.505 175.510 0.030 0.000 1.046 163 N CA 1.010 54.073 53.050 0.022 0.000 0.904 163 N CB -0.804 37.688 38.487 0.009 0.000 0.964 163 N HN -0.181 8.175 8.380 0.030 0.042 0.444 164 R N -0.361 120.174 120.500 0.058 0.000 3.301 164 R HA 0.557 nan 4.340 nan 0.000 0.286 164 R C -0.881 175.457 176.300 0.064 0.000 1.386 164 R CA -3.735 52.420 56.100 0.093 0.000 1.607 164 R CB -0.707 29.720 30.300 0.212 0.000 1.305 164 R HN -0.430 7.738 8.270 0.068 0.142 0.637 165 P HA -0.134 nan 4.420 nan 0.000 0.220 165 P C 0.466 177.743 177.300 -0.040 0.000 1.148 165 P CA 2.191 65.273 63.100 -0.030 0.000 0.803 165 P CB -0.159 31.520 31.700 -0.035 0.000 0.782 166 D N -1.731 118.670 120.400 0.002 0.000 2.309 166 D HA -0.227 nan 4.640 nan 0.000 0.212 166 D C 0.615 176.879 176.300 -0.060 0.000 0.968 166 D CA 2.262 56.264 54.000 0.004 0.000 0.882 166 D CB -1.630 39.247 40.800 0.128 0.000 0.918 166 D HN 0.406 8.768 8.370 0.027 0.024 0.503 167 A N -1.551 121.233 122.820 -0.061 0.000 2.238 167 A HA 0.003 nan 4.320 nan 0.000 0.208 167 A C 0.582 178.042 177.584 -0.207 0.000 1.177 167 A CA 0.909 52.841 52.037 -0.175 0.000 0.804 167 A CB -0.243 18.641 19.000 -0.193 0.000 0.823 167 A HN -0.372 7.606 8.150 -0.006 0.169 0.482 168 L N -1.949 119.179 121.223 -0.158 0.000 2.653 168 L HA 0.123 nan 4.340 nan 0.000 0.232 168 L C -1.177 175.572 176.870 -0.201 0.000 1.169 168 L CA -0.632 54.111 54.840 -0.162 0.000 0.951 168 L CB -0.254 41.714 42.059 -0.152 0.000 1.181 168 L HN -0.298 7.670 8.230 -0.129 0.184 0.460 169 G N -3.837 104.818 108.800 -0.242 0.000 2.701 169 G HA2 0.378 nan 3.960 nan 0.000 0.300 169 G HA3 0.378 nan 3.960 nan 0.000 0.300 169 G C -0.823 173.854 174.900 -0.372 0.000 1.410 169 G CA -0.410 44.514 45.100 -0.293 0.000 1.014 169 G HN -0.876 7.161 8.290 -0.240 0.109 0.509 170 L N 4.627 125.563 121.223 -0.479 0.000 2.127 170 L HA -0.222 nan 4.340 nan 0.000 0.211 170 L C 1.540 178.079 176.870 -0.553 0.000 1.089 170 L CA 2.340 56.861 54.840 -0.531 0.000 0.757 170 L CB 0.079 41.727 42.059 -0.684 0.000 0.899 170 L HN 0.785 8.709 8.230 -0.510 0.000 0.434 171 L N -2.215 118.630 121.223 -0.630 0.000 2.156 171 L HA -0.286 nan 4.340 nan 0.000 0.208 171 L C 1.854 178.483 176.870 -0.400 0.000 1.095 171 L CA 2.624 57.079 54.840 -0.643 0.000 0.770 171 L CB -0.662 41.048 42.059 -0.581 0.000 0.914 171 L HN 0.487 8.352 8.230 -0.573 0.022 0.439 172 G N -0.566 108.033 108.800 -0.335 0.000 2.421 172 G HA2 -0.336 nan 3.960 nan 0.000 0.216 172 G HA3 -0.336 nan 3.960 nan 0.000 0.216 172 G C 1.329 176.118 174.900 -0.185 0.000 1.171 172 G CA 2.046 47.013 45.100 -0.222 0.000 0.775 172 G HN -0.380 7.563 8.290 -0.356 0.132 0.543 173 L N 1.191 122.255 121.223 -0.266 0.000 2.083 173 L HA -0.243 nan 4.340 nan 0.000 0.209 173 L C 1.829 178.590 176.870 -0.181 0.000 1.083 173 L CA 1.876 56.550 54.840 -0.276 0.000 0.752 173 L CB -0.748 41.094 42.059 -0.361 0.000 0.899 173 L HN -0.621 7.420 8.230 -0.314 0.000 0.433 174 A N -1.332 121.366 122.820 -0.202 0.000 1.933 174 A HA -0.348 nan 4.320 nan 0.000 0.218 174 A C 2.439 179.995 177.584 -0.048 0.000 1.175 174 A CA 3.156 55.114 52.037 -0.131 0.000 0.628 174 A CB -0.744 18.162 19.000 -0.155 0.000 0.814 174 A HN 0.144 8.052 8.150 -0.275 0.077 0.444 175 R N -3.394 117.070 120.500 -0.061 0.000 2.148 175 R HA -0.301 nan 4.340 nan 0.000 0.223 175 R C 2.211 178.579 176.300 0.112 0.000 1.088 175 R CA 2.947 59.066 56.100 0.030 0.000 0.985 175 R CB -0.282 30.026 30.300 0.012 0.000 0.880 175 R HN -0.250 7.839 8.270 -0.126 0.106 0.451 176 D N 0.786 121.230 120.400 0.072 0.000 2.091 176 D HA -0.125 nan 4.640 nan 0.000 0.199 176 D C 2.469 178.831 176.300 0.102 0.000 0.980 176 D CA 2.872 56.931 54.000 0.098 0.000 0.831 176 D CB -0.155 40.724 40.800 0.132 0.000 0.987 176 D HN -0.628 7.621 8.370 0.020 0.132 0.460 177 L N -1.182 120.084 121.223 0.071 0.000 2.187 177 L HA -0.413 nan 4.340 nan 0.000 0.213 177 L C 1.477 178.485 176.870 0.231 0.000 1.100 177 L CA 3.051 57.942 54.840 0.086 0.000 0.765 177 L CB -0.461 41.506 42.059 -0.154 0.000 0.904 177 L HN -0.444 7.799 8.230 0.022 0.000 0.437 178 H N -0.053 119.074 119.070 0.095 0.000 2.389 178 H HA -0.277 nan 4.556 nan 0.000 0.299 178 H C 1.578 176.960 175.328 0.090 0.000 1.081 178 H CA 3.739 59.854 56.048 0.111 0.000 1.345 178 H CB 0.654 30.449 29.762 0.055 0.000 1.393 178 H HN -0.238 8.043 8.280 0.215 0.127 0.520 179 A N -0.486 122.324 122.820 -0.017 0.000 2.019 179 A HA -0.207 nan 4.320 nan 0.000 0.219 179 A C 1.331 178.859 177.584 -0.093 0.000 1.164 179 A CA 2.318 54.303 52.037 -0.087 0.000 0.644 179 A CB -0.751 18.244 19.000 -0.008 0.000 0.805 179 A HN -0.190 7.913 8.150 0.106 0.111 0.449 180 L N -4.474 116.743 121.223 -0.010 0.000 2.376 180 L HA -0.175 nan 4.340 nan 0.000 0.219 180 L C 0.776 177.589 176.870 -0.095 0.000 1.133 180 L CA 0.081 54.919 54.840 -0.003 0.000 0.816 180 L CB -0.550 41.589 42.059 0.133 0.000 0.933 180 L HN -0.761 7.372 8.230 0.059 0.133 0.449 181 G N -4.273 104.446 108.800 -0.136 0.000 2.367 181 G HA2 -0.275 nan 3.960 nan 0.000 0.181 181 G HA3 -0.275 nan 3.960 nan 0.000 0.181 181 G C -0.480 174.316 174.900 -0.174 0.000 1.000 181 G CA -0.533 44.443 45.100 -0.206 0.000 0.693 181 G HN -0.540 7.503 8.290 -0.121 0.174 0.480 182 Y N 1.424 121.692 120.300 -0.053 0.000 2.426 182 Y HA -0.265 nan 4.550 nan 0.000 0.344 182 Y C -1.051 174.921 175.900 0.120 0.000 1.256 182 Y CA 0.575 58.691 58.100 0.026 0.000 1.451 182 Y CB 0.354 38.843 38.460 0.048 0.000 1.342 182 Y HN -0.856 7.543 8.280 0.199 0.000 0.600 183 A N 0.250 123.249 122.820 0.299 0.000 2.354 183 A HA 0.138 nan 4.320 nan 0.000 0.269 183 A C -1.687 176.032 177.584 0.225 0.000 1.109 183 A CA -0.556 51.628 52.037 0.245 0.000 0.800 183 A CB 0.760 19.843 19.000 0.137 0.000 1.045 183 A HN -0.070 8.468 8.150 0.293 -0.213 0.489 184 L N 1.488 122.792 121.223 0.136 0.000 2.313 184 L HA 0.246 nan 4.340 nan 0.000 0.283 184 L C -0.993 175.873 176.870 -0.007 0.000 1.013 184 L CA -0.641 54.195 54.840 -0.006 0.000 0.816 184 L CB 2.001 43.883 42.059 -0.295 0.000 1.236 184 L HN -0.041 8.261 8.230 0.120 0.000 0.419 185 V N 7.508 127.446 119.914 0.040 0.000 2.304 185 V HA 0.158 nan 4.120 nan 0.000 0.278 185 V C -1.300 174.852 176.094 0.097 0.000 1.018 185 V CA -0.915 61.406 62.300 0.035 0.000 0.814 185 V CB 0.762 32.589 31.823 0.008 0.000 1.021 185 V HN 0.731 8.861 8.190 0.082 0.109 0.440 186 E N 8.299 128.526 120.200 0.045 0.000 2.283 186 E HA 0.314 nan 4.350 nan 0.000 0.278 186 E C -1.834 174.808 176.600 0.071 0.000 1.027 186 E CA -2.667 53.767 56.400 0.057 0.000 0.843 186 E CB 1.162 30.848 29.700 -0.022 0.000 1.062 186 E HN 0.147 8.509 8.360 0.004 0.000 0.401 187 P HA 0.093 nan 4.420 nan 0.000 0.275 187 P C -1.530 175.797 177.300 0.045 0.000 1.228 187 P CA -0.079 63.076 63.100 0.093 0.000 0.786 187 P CB 0.700 32.506 31.700 0.177 0.000 0.927 188 E N 0.649 120.862 120.200 0.021 0.000 2.204 188 E HA 0.112 nan 4.350 nan 0.000 0.276 188 E C -0.679 175.928 176.600 0.011 0.000 0.974 188 E CA -1.090 55.315 56.400 0.009 0.000 0.815 188 E CB 0.899 30.597 29.700 -0.004 0.000 1.119 188 E HN -0.001 8.366 8.360 0.012 0.000 0.393 189 A N 4.148 126.974 122.820 0.010 0.000 2.807 189 A HA 0.134 nan 4.320 nan 0.000 0.307 189 A C -0.563 177.021 177.584 0.000 0.000 1.532 189 A CA -0.737 51.306 52.037 0.010 0.000 1.215 189 A CB -0.480 18.527 19.000 0.012 0.000 1.127 189 A HN 0.538 8.693 8.150 0.008 0.000 0.543 190 A N 4.774 127.591 122.820 -0.005 0.000 2.785 190 A HA 0.040 nan 4.320 nan 0.000 0.294 190 A C -1.114 176.460 177.584 -0.016 0.000 1.597 190 A CA 0.200 52.229 52.037 -0.013 0.000 1.283 190 A CB -0.452 18.536 19.000 -0.020 0.000 1.088 190 A HN 0.161 8.309 8.150 -0.004 0.000 0.568 191 L N 1.472 122.687 121.223 -0.014 0.000 2.334 191 L HA 0.204 nan 4.340 nan 0.000 0.276 191 L C -0.871 175.987 176.870 -0.019 0.000 1.014 191 L CA -0.674 54.154 54.840 -0.018 0.000 0.815 191 L CB 2.320 44.373 42.059 -0.011 0.000 1.268 191 L HN -0.537 7.687 8.230 -0.009 0.000 0.428 192 K N 4.955 125.338 120.400 -0.030 0.000 2.592 192 K HA 0.218 nan 4.320 nan 0.000 0.212 192 K C -1.522 175.058 176.600 -0.032 0.000 1.013 192 K CA -0.983 55.288 56.287 -0.027 0.000 1.034 192 K CB 0.436 32.916 32.500 -0.033 0.000 1.292 192 K HN 0.065 8.431 8.250 -0.041 -0.140 0.521 193 A N 3.680 126.491 122.820 -0.015 0.000 2.246 193 A HA 0.562 nan 4.320 nan 0.000 0.291 193 A C -0.971 176.620 177.584 0.012 0.000 1.103 193 A CA -1.101 50.933 52.037 -0.006 0.000 0.844 193 A CB 1.162 20.171 19.000 0.016 0.000 1.136 193 A HN 0.236 8.383 8.150 -0.006 0.000 0.500 194 E N -2.424 117.800 120.200 0.040 0.000 2.291 194 E HA 0.189 nan 4.350 nan 0.000 0.276 194 E C -1.225 175.433 176.600 0.098 0.000 0.896 194 E CA -1.118 55.322 56.400 0.066 0.000 0.774 194 E CB 2.221 31.968 29.700 0.078 0.000 1.227 194 E HN -0.041 8.349 8.360 0.050 0.000 0.413 195 A N 5.220 128.085 122.820 0.075 0.000 2.473 195 A HA 0.135 nan 4.320 nan 0.000 0.282 195 A C -0.890 176.743 177.584 0.082 0.000 1.163 195 A CA 1.031 53.111 52.037 0.072 0.000 0.827 195 A CB -0.656 18.372 19.000 0.047 0.000 1.098 195 A HN 0.559 8.744 8.150 0.058 0.000 0.515 196 L N 0.473 121.756 121.223 0.100 0.000 2.582 196 L HA 0.480 nan 4.340 nan 0.000 0.257 196 L C -2.495 174.409 176.870 0.056 0.000 0.974 196 L CA -2.624 52.267 54.840 0.085 0.000 0.851 196 L CB 0.681 42.818 42.059 0.129 0.000 1.424 196 L HN -0.391 7.907 8.230 0.113 0.000 0.412 197 P HA 0.065 nan 4.420 nan 0.000 0.271 197 P C -1.279 175.911 177.300 -0.184 0.000 1.218 197 P CA -0.342 62.708 63.100 -0.084 0.000 0.780 197 P CB 0.558 32.202 31.700 -0.094 0.000 0.901 198 L N 0.917 121.956 121.223 -0.307 0.000 2.319 198 L HA 0.228 nan 4.340 nan 0.000 0.280 198 L C 0.380 176.829 176.870 -0.701 0.000 1.099 198 L CA -1.639 52.813 54.840 -0.647 0.000 0.828 198 L CB 0.056 41.657 42.059 -0.763 0.000 1.150 198 L HN 0.128 8.207 8.230 -0.251 0.000 0.442 199 P HA 0.011 nan 4.420 nan 0.000 0.263 199 P C -1.845 175.330 177.300 -0.209 0.000 1.386 199 P CA 0.430 63.297 63.100 -0.388 0.000 0.797 199 P CB -0.055 31.472 31.700 -0.288 0.000 1.381 200 F N -6.503 113.311 119.950 -0.226 0.000 2.779 200 F HA 0.758 nan 4.527 nan 0.000 0.316 200 F C -2.401 173.327 175.800 -0.121 0.000 1.164 200 F CA -2.251 55.631 58.000 -0.197 0.000 0.924 200 F CB 1.690 40.566 39.000 -0.207 0.000 1.348 200 F HN -0.627 6.965 8.300 -1.025 0.093 0.467 201 A N -2.100 120.777 122.820 0.094 0.000 2.486 201 A HA 0.437 nan 4.320 nan 0.000 0.289 201 A C -3.191 174.568 177.584 0.291 0.000 1.176 201 A CA -1.333 50.786 52.037 0.136 0.000 0.757 201 A CB 3.018 22.127 19.000 0.182 0.000 1.337 201 A HN 0.271 8.454 8.150 0.055 0.000 0.423 202 L N -1.953 119.425 121.223 0.258 0.000 2.365 202 L HA 0.740 nan 4.340 nan 0.000 0.273 202 L C -1.420 175.550 176.870 0.166 0.000 1.000 202 L CA -0.977 54.001 54.840 0.229 0.000 0.819 202 L CB 2.837 45.014 42.059 0.195 0.000 1.284 202 L HN -0.134 8.209 8.230 0.189 0.000 0.418 203 K N 7.698 128.164 120.400 0.110 0.000 2.656 203 K HA 0.284 nan 4.320 nan 0.000 0.241 203 K C -1.935 174.607 176.600 -0.096 0.000 0.967 203 K CA -0.651 55.626 56.287 -0.018 0.000 0.946 203 K CB 2.418 34.837 32.500 -0.135 0.000 1.164 203 K HN 0.720 9.049 8.250 0.131 0.000 0.459 204 V N 7.219 127.073 119.914 -0.100 0.000 2.356 204 V HA 0.084 nan 4.120 nan 0.000 0.258 204 V C -0.009 176.033 176.094 -0.086 0.000 1.065 204 V CA 0.344 62.569 62.300 -0.125 0.000 0.935 204 V CB -0.872 30.900 31.823 -0.085 0.000 1.061 204 V HN 0.495 8.648 8.190 -0.061 0.000 0.484 205 E N 7.098 127.241 120.200 -0.095 0.000 2.502 205 E HA -0.075 nan 4.350 nan 0.000 0.194 205 E C -0.290 176.281 176.600 -0.049 0.000 1.062 205 E CA 0.815 57.168 56.400 -0.079 0.000 0.867 205 E CB 0.665 30.307 29.700 -0.097 0.000 0.888 205 E HN 0.570 8.862 8.360 -0.113 0.000 0.510 206 D N -2.004 118.376 120.400 -0.032 0.000 2.381 206 D HA 0.323 nan 4.640 nan 0.000 0.245 206 D C -1.795 174.516 176.300 0.020 0.000 1.297 206 D CA -2.456 51.542 54.000 -0.004 0.000 0.931 206 D CB 1.581 42.383 40.800 0.003 0.000 1.334 206 D HN -0.798 7.488 8.370 -0.040 0.060 0.535 207 P HA 0.091 nan 4.420 nan 0.000 0.245 207 P C -0.332 176.994 177.300 0.045 0.000 1.212 207 P CA 0.814 63.936 63.100 0.037 0.000 0.774 207 P CB 0.391 32.107 31.700 0.027 0.000 0.999 208 E N -0.251 119.973 120.200 0.041 0.000 2.216 208 E HA 0.051 nan 4.350 nan 0.000 0.192 208 E C 1.045 177.682 176.600 0.062 0.000 0.973 208 E CA 0.671 57.097 56.400 0.043 0.000 0.851 208 E CB 0.117 29.836 29.700 0.032 0.000 0.804 208 E HN -0.333 8.208 8.360 0.033 -0.161 0.477 209 G N -4.049 104.796 108.800 0.076 0.000 3.233 209 G HA2 0.152 nan 3.960 nan 0.000 0.234 209 G HA3 0.152 nan 3.960 nan 0.000 0.234 209 G C -1.346 173.678 174.900 0.207 0.000 1.137 209 G CA -0.223 44.945 45.100 0.112 0.000 0.763 209 G HN -0.590 7.895 8.290 0.065 -0.156 0.549 210 A N -1.520 121.400 122.820 0.166 0.000 3.399 210 A HA 0.361 nan 4.320 nan 0.000 0.262 210 A C -2.759 174.884 177.584 0.098 0.000 1.145 210 A CA -1.471 50.668 52.037 0.170 0.000 0.916 210 A CB -0.518 18.650 19.000 0.280 0.000 1.360 210 A HN -0.779 7.386 8.150 0.114 0.054 0.628 211 P HA -0.160 nan 4.420 nan 0.000 0.226 211 P C -1.556 175.836 177.300 0.153 0.000 1.146 211 P CA 1.271 64.421 63.100 0.084 0.000 0.773 211 P CB 0.256 31.990 31.700 0.057 0.000 0.772 212 H N -5.052 114.018 119.070 0.001 0.000 3.188 212 H HA 0.184 nan 4.556 nan 0.000 0.325 212 H C -3.048 172.294 175.328 0.022 0.000 1.033 212 H CA -0.329 55.729 56.048 0.016 0.000 1.443 212 H CB 1.858 31.610 29.762 -0.017 0.000 1.968 212 H HN -0.845 7.427 8.280 0.100 0.068 0.449 213 F N 6.846 126.680 119.950 -0.194 0.000 2.565 213 F HA 0.623 nan 4.527 nan 0.000 0.313 213 F C -2.827 172.857 175.800 -0.194 0.000 1.091 213 F CA -1.295 56.586 58.000 -0.197 0.000 0.915 213 F CB 4.465 43.428 39.000 -0.062 0.000 1.208 213 F HN 0.620 8.897 8.300 0.148 0.112 0.453 214 T N 2.733 117.089 114.554 -0.329 0.000 2.956 214 T HA 0.690 nan 4.350 nan 0.000 0.312 214 T C -2.607 172.065 174.700 -0.048 0.000 1.151 214 T CA -1.188 60.851 62.100 -0.103 0.000 1.024 214 T CB 2.706 71.465 68.868 -0.182 0.000 1.140 214 T HN 0.081 7.836 8.240 -0.808 0.000 0.473 215 L N 2.246 123.567 121.223 0.162 0.000 2.381 215 L HA 0.782 nan 4.340 nan 0.000 0.268 215 L C -1.189 175.842 176.870 0.269 0.000 0.997 215 L CA -1.251 53.746 54.840 0.261 0.000 0.818 215 L CB 3.909 46.252 42.059 0.472 0.000 1.310 215 L HN 0.692 9.033 8.230 0.186 0.000 0.416 216 G N 0.550 109.516 108.800 0.275 0.000 2.537 216 G HA2 0.404 nan 3.960 nan 0.000 0.308 216 G HA3 0.404 nan 3.960 nan 0.000 0.308 216 G C -2.800 172.367 174.900 0.445 0.000 1.237 216 G CA -1.760 43.509 45.100 0.281 0.000 0.968 216 G HN -0.244 8.193 8.290 0.245 0.000 0.481 217 Y N 1.187 121.642 120.300 0.257 0.000 2.338 217 Y HA 0.607 nan 4.550 nan 0.000 0.333 217 Y C -2.657 173.387 175.900 0.239 0.000 0.968 217 Y CA -2.999 55.298 58.100 0.328 0.000 1.123 217 Y CB 2.563 41.242 38.460 0.365 0.000 1.165 217 Y HN 0.210 8.717 8.280 0.379 0.000 0.452 218 A N 6.822 129.584 122.820 -0.098 0.000 2.374 218 A HA 0.953 nan 4.320 nan 0.000 0.305 218 A C -2.827 174.580 177.584 -0.295 0.000 1.053 218 A CA -1.524 50.348 52.037 -0.276 0.000 0.726 218 A CB 2.867 21.793 19.000 -0.123 0.000 1.229 218 A HN 0.037 8.254 8.150 0.112 0.000 0.431 219 F N -2.144 117.560 119.950 -0.410 0.000 2.664 219 F HA 0.835 nan 4.527 nan 0.000 0.317 219 F C -0.471 175.242 175.800 -0.145 0.000 1.108 219 F CA -2.033 55.803 58.000 -0.273 0.000 0.957 219 F CB 2.271 41.076 39.000 -0.324 0.000 1.365 219 F HN 0.888 8.662 8.300 -0.877 0.000 0.475 220 G N -1.903 106.993 108.800 0.160 0.000 2.147 220 G HA2 -0.453 nan 3.960 nan 0.000 0.244 220 G HA3 -0.453 nan 3.960 nan 0.000 0.244 220 G C -0.369 174.521 174.900 -0.017 0.000 1.005 220 G CA 0.439 45.579 45.100 0.066 0.000 0.713 220 G HN -0.163 8.270 8.290 0.239 0.000 0.515 221 L N -0.869 120.346 121.223 -0.014 0.000 2.461 221 L HA -0.059 nan 4.340 nan 0.000 0.272 221 L C -0.676 176.183 176.870 -0.017 0.000 1.197 221 L CA 0.317 55.138 54.840 -0.032 0.000 0.836 221 L CB 0.520 42.566 42.059 -0.022 0.000 1.105 221 L HN -0.402 7.811 8.230 0.020 0.029 0.477 222 R N 3.744 124.227 120.500 -0.029 0.000 2.443 222 R HA 0.182 nan 4.340 nan 0.000 0.287 222 R C -1.281 175.002 176.300 -0.028 0.000 1.425 222 R CA -1.310 54.777 56.100 -0.021 0.000 1.300 222 R CB 0.239 30.526 30.300 -0.021 0.000 1.129 222 R HN -0.248 7.997 8.270 -0.042 0.000 0.577 223 V N 6.555 126.454 119.914 -0.025 0.000 2.529 223 V HA -0.094 nan 4.120 nan 0.000 0.292 223 V C -1.209 174.866 176.094 -0.032 0.000 1.028 223 V CA 0.845 63.125 62.300 -0.034 0.000 1.074 223 V CB -0.570 31.236 31.823 -0.028 0.000 0.958 223 V HN 0.472 8.652 8.190 -0.016 0.000 0.481 224 A N 7.281 130.077 122.820 -0.041 0.000 2.529 224 A HA 0.623 nan 4.320 nan 0.000 0.296 224 A C -3.627 173.931 177.584 -0.044 0.000 1.205 224 A CA -1.967 50.050 52.037 -0.032 0.000 0.671 224 A CB 1.261 20.248 19.000 -0.021 0.000 1.301 224 A HN -0.083 8.035 8.150 -0.053 0.000 0.450 225 P HA 0.191 nan 4.420 nan 0.000 0.274 225 P C -1.503 175.766 177.300 -0.052 0.000 1.231 225 P CA -0.348 62.735 63.100 -0.029 0.000 0.790 225 P CB 0.363 32.075 31.700 0.020 0.000 0.951 226 S N 2.888 118.529 115.700 -0.098 0.000 2.603 226 S HA 0.190 nan 4.470 nan 0.000 0.268 226 S C -1.788 172.690 174.600 -0.205 0.000 1.317 226 S CA -1.176 56.900 58.200 -0.206 0.000 1.012 226 S CB -0.489 62.523 63.200 -0.313 0.000 0.926 226 S HN 0.078 8.334 8.310 -0.091 0.000 0.539 227 P HA 0.094 nan 4.420 nan 0.000 0.267 227 P C 0.077 177.140 177.300 -0.394 0.000 1.200 227 P CA -0.239 62.652 63.100 -0.349 0.000 0.772 227 P CB 0.572 31.948 31.700 -0.540 0.000 0.855 228 L N 2.072 123.172 121.223 -0.206 0.000 2.081 228 L HA -0.331 nan 4.340 nan 0.000 0.212 228 L C 1.833 178.497 176.870 -0.344 0.000 1.080 228 L CA 3.349 58.059 54.840 -0.216 0.000 0.754 228 L CB -0.776 41.166 42.059 -0.196 0.000 0.893 228 L HN 0.298 8.447 8.230 -0.135 0.000 0.433 229 W N -4.672 116.452 121.300 -0.294 0.000 2.363 229 W HA -0.347 nan 4.660 nan 0.000 0.296 229 W C 1.618 177.917 176.519 -0.365 0.000 1.212 229 W CA 2.208 59.350 57.345 -0.337 0.000 1.260 229 W CB -1.043 28.248 29.460 -0.282 0.000 1.131 229 W HN -0.067 8.051 8.180 -0.079 0.015 0.530 230 M N 1.559 120.473 119.600 -1.143 0.000 2.349 230 M HA -0.324 nan 4.480 nan 0.000 0.266 230 M C 1.824 177.797 176.300 -0.546 0.000 1.076 230 M CA 3.159 57.819 55.300 -1.067 0.000 1.126 230 M CB 0.106 31.813 32.600 -1.489 0.000 1.392 230 M HN -0.508 6.772 8.290 -1.494 0.113 0.440 231 Q N -0.617 118.917 119.800 -0.443 0.000 2.083 231 Q HA -0.381 nan 4.340 nan 0.000 0.198 231 Q C 2.202 178.089 176.000 -0.188 0.000 0.969 231 Q CA 3.502 59.172 55.803 -0.221 0.000 0.838 231 Q CB -0.196 28.603 28.738 0.102 0.000 0.900 231 Q HN -0.261 7.601 8.270 -0.493 0.112 0.436 232 R N -0.179 119.953 120.500 -0.613 0.000 2.073 232 R HA -0.363 nan 4.340 nan 0.000 0.234 232 R C 1.955 178.253 176.300 -0.004 0.000 1.134 232 R CA 3.350 59.033 56.100 -0.695 0.000 0.952 232 R CB -0.114 29.532 30.300 -1.089 0.000 0.850 232 R HN 0.160 7.998 8.270 -0.720 0.000 0.433 233 A N -1.010 121.749 122.820 -0.103 0.000 1.877 233 A HA -0.240 nan 4.320 nan 0.000 0.216 233 A C 2.517 180.170 177.584 0.115 0.000 1.186 233 A CA 2.941 54.942 52.037 -0.059 0.000 0.620 233 A CB -0.824 17.882 19.000 -0.491 0.000 0.822 233 A HN -0.559 7.448 8.150 -0.238 0.000 0.443 234 L N -2.384 118.847 121.223 0.013 0.000 2.056 234 L HA -0.419 nan 4.340 nan 0.000 0.207 234 L C 2.318 179.288 176.870 0.167 0.000 1.078 234 L CA 2.890 57.768 54.840 0.064 0.000 0.749 234 L CB -0.248 41.736 42.059 -0.126 0.000 0.901 234 L HN -0.455 7.705 8.230 -0.116 0.000 0.433 235 F N -1.110 118.976 119.950 0.226 0.000 2.134 235 F HA -0.426 nan 4.527 nan 0.000 0.299 235 F C 2.513 178.557 175.800 0.407 0.000 1.097 235 F CA 3.664 61.859 58.000 0.325 0.000 1.264 235 F CB -0.979 38.263 39.000 0.403 0.000 1.001 235 F HN -0.232 8.192 8.300 0.207 0.000 0.479 236 A N -0.837 122.394 122.820 0.686 0.000 1.972 236 A HA -0.298 nan 4.320 nan 0.000 0.219 236 A C 1.268 179.045 177.584 0.321 0.000 1.169 236 A CA 2.803 55.112 52.037 0.455 0.000 0.635 236 A CB -1.050 18.173 19.000 0.373 0.000 0.810 236 A HN 0.085 8.657 8.150 0.703 0.000 0.446 237 A N -5.307 117.722 122.820 0.349 0.000 2.235 237 A HA -0.086 nan 4.320 nan 0.000 0.208 237 A C 0.135 177.832 177.584 0.188 0.000 1.172 237 A CA -0.062 52.130 52.037 0.259 0.000 0.786 237 A CB -0.429 18.775 19.000 0.339 0.000 0.804 237 A HN -0.547 7.726 8.150 0.401 0.118 0.479 238 G N -2.481 106.454 108.800 0.226 0.000 2.143 238 G HA2 -0.328 nan 3.960 nan 0.000 0.249 238 G HA3 -0.328 nan 3.960 nan 0.000 0.249 238 G C -0.477 174.522 174.900 0.164 0.000 0.981 238 G CA 0.174 45.387 45.100 0.188 0.000 0.665 238 G HN -0.302 7.959 8.290 0.297 0.207 0.528 239 M N 0.003 119.695 119.600 0.154 0.000 2.528 239 M HA 0.093 nan 4.480 nan 0.000 0.321 239 M C -1.811 174.454 176.300 -0.059 0.000 1.153 239 M CA -0.835 54.500 55.300 0.059 0.000 0.951 239 M CB 2.793 35.414 32.600 0.035 0.000 1.705 239 M HN -0.114 8.258 8.290 0.194 0.035 0.451 240 R N 2.427 122.858 120.500 -0.115 0.000 2.265 240 R HA 0.301 nan 4.340 nan 0.000 0.319 240 R C -2.044 174.033 176.300 -0.371 0.000 1.006 240 R CA -3.144 52.778 56.100 -0.297 0.000 0.880 240 R CB 1.152 31.373 30.300 -0.131 0.000 1.077 240 R HN 0.162 8.399 8.270 -0.056 0.000 0.454 241 P HA 0.107 nan 4.420 nan 0.000 0.271 241 P C -1.412 175.734 177.300 -0.257 0.000 1.216 241 P CA -0.271 62.612 63.100 -0.362 0.000 0.771 241 P CB 0.490 31.957 31.700 -0.389 0.000 0.864 242 I N 1.141 121.593 120.570 -0.197 0.000 3.132 242 I HA 0.120 nan 4.170 nan 0.000 0.255 242 I C -0.144 175.895 176.117 -0.129 0.000 1.118 242 I CA 0.204 61.407 61.300 -0.162 0.000 1.463 242 I CB 0.954 38.871 38.000 -0.137 0.000 1.356 242 I HN 0.567 9.091 8.210 -0.185 -0.425 0.463 243 N N -2.660 115.965 118.700 -0.124 0.000 3.227 243 N HA -0.002 nan 4.740 nan 0.000 0.241 243 N C -0.162 175.276 175.510 -0.121 0.000 1.480 243 N CA -0.538 52.447 53.050 -0.108 0.000 0.886 243 N CB 0.799 39.235 38.487 -0.084 0.000 1.406 243 N HN -0.955 7.346 8.380 -0.131 0.000 0.514 244 N N -0.295 118.339 118.700 -0.111 0.000 2.157 244 N HA -0.442 nan 4.740 nan 0.000 0.198 244 N C 2.189 177.624 175.510 -0.124 0.000 0.987 244 N CA 3.416 56.394 53.050 -0.120 0.000 0.899 244 N CB -0.110 38.324 38.487 -0.089 0.000 1.077 244 N HN 0.615 8.839 8.380 -0.092 0.100 0.586 245 V N -0.511 119.341 119.914 -0.104 0.000 2.446 245 V HA -0.192 nan 4.120 nan 0.000 0.244 245 V C 1.791 177.819 176.094 -0.111 0.000 1.039 245 V CA 3.283 65.522 62.300 -0.101 0.000 1.045 245 V CB -0.173 31.596 31.823 -0.090 0.000 0.681 245 V HN -0.441 7.740 8.190 -0.092 -0.045 0.459 246 V N 0.489 120.332 119.914 -0.118 0.000 2.343 246 V HA -0.520 nan 4.120 nan 0.000 0.247 246 V C 2.180 178.218 176.094 -0.093 0.000 1.051 246 V CA 4.321 66.549 62.300 -0.118 0.000 1.036 246 V CB -1.164 30.591 31.823 -0.114 0.000 0.654 246 V HN 0.023 8.469 8.190 -0.114 -0.325 0.451 247 D N -0.855 119.478 120.400 -0.112 0.000 2.123 247 D HA -0.253 nan 4.640 nan 0.000 0.196 247 D C 2.184 178.443 176.300 -0.069 0.000 0.992 247 D CA 3.465 57.397 54.000 -0.113 0.000 0.833 247 D CB -0.750 39.937 40.800 -0.188 0.000 0.954 247 D HN 0.052 8.346 8.370 -0.126 0.000 0.455 248 V N -1.772 118.089 119.914 -0.090 0.000 2.324 248 V HA -0.389 nan 4.120 nan 0.000 0.250 248 V C 1.832 177.954 176.094 0.048 0.000 1.060 248 V CA 4.504 66.782 62.300 -0.036 0.000 1.042 248 V CB -0.779 31.012 31.823 -0.053 0.000 0.650 248 V HN -0.456 7.664 8.190 -0.118 0.000 0.450 249 T N -3.292 111.266 114.554 0.005 0.000 2.915 249 T HA -0.240 nan 4.350 nan 0.000 0.269 249 T C 2.107 176.839 174.700 0.053 0.000 1.071 249 T CA 3.925 66.038 62.100 0.021 0.000 1.132 249 T CB -0.551 68.302 68.868 -0.025 0.000 0.878 249 T HN -0.132 7.999 8.240 -0.036 0.087 0.479 250 N N 2.265 121.001 118.700 0.060 0.000 2.290 250 N HA -0.072 nan 4.740 nan 0.000 0.179 250 N C 1.324 176.929 175.510 0.158 0.000 1.016 250 N CA 2.427 55.523 53.050 0.077 0.000 0.871 250 N CB -0.134 38.379 38.487 0.045 0.000 0.987 250 N HN -0.553 7.714 8.380 0.034 0.134 0.431 251 Y N 2.615 122.950 120.300 0.060 0.000 2.114 251 Y HA -0.425 nan 4.550 nan 0.000 0.284 251 Y C 1.919 177.950 175.900 0.219 0.000 1.143 251 Y CA 4.670 62.866 58.100 0.159 0.000 1.135 251 Y CB 0.334 38.813 38.460 0.031 0.000 0.980 251 Y HN 0.236 8.655 8.280 0.232 0.000 0.499 252 V N -1.440 118.653 119.914 0.299 0.000 2.515 252 V HA -0.516 nan 4.120 nan 0.000 0.250 252 V C 1.616 177.737 176.094 0.045 0.000 1.058 252 V CA 4.166 66.570 62.300 0.174 0.000 1.064 252 V CB -1.104 30.808 31.823 0.148 0.000 0.675 252 V HN 0.177 8.549 8.190 0.303 0.000 0.461 253 M N 0.514 120.132 119.600 0.031 0.000 2.067 253 M HA -0.459 nan 4.480 nan 0.000 0.260 253 M C 1.496 177.746 176.300 -0.083 0.000 1.069 253 M CA 4.131 59.410 55.300 -0.035 0.000 1.117 253 M CB -0.019 32.566 32.600 -0.026 0.000 1.334 253 M HN -0.775 7.543 8.290 0.069 0.013 0.407 254 L N -2.659 118.525 121.223 -0.066 0.000 2.083 254 L HA -0.479 nan 4.340 nan 0.000 0.209 254 L C 2.052 178.750 176.870 -0.285 0.000 1.083 254 L CA 2.962 57.699 54.840 -0.172 0.000 0.752 254 L CB -0.722 41.253 42.059 -0.139 0.000 0.899 254 L HN -0.312 7.921 8.230 0.005 0.000 0.433 255 E N -0.218 119.862 120.200 -0.199 0.000 2.118 255 E HA -0.359 nan 4.350 nan 0.000 0.195 255 E C 1.416 177.849 176.600 -0.279 0.000 0.992 255 E CA 3.462 59.722 56.400 -0.233 0.000 0.804 255 E CB 0.130 29.805 29.700 -0.042 0.000 0.741 255 E HN 0.193 8.421 8.360 -0.091 0.078 0.458 256 R N -5.800 114.582 120.500 -0.197 0.000 2.590 256 R HA 0.293 nan 4.340 nan 0.000 0.410 256 R C -0.717 175.479 176.300 -0.173 0.000 1.010 256 R CA -1.554 54.427 56.100 -0.199 0.000 1.155 256 R CB 0.215 30.420 30.300 -0.158 0.000 1.455 256 R HN -0.447 7.636 8.270 -0.144 0.100 0.567 257 A N -0.627 122.085 122.820 -0.179 0.000 2.687 257 A HA -0.407 nan 4.320 nan 0.000 0.299 257 A C -1.864 175.608 177.584 -0.187 0.000 1.497 257 A CA 1.114 53.042 52.037 -0.182 0.000 0.751 257 A CB -1.614 17.283 19.000 -0.171 0.000 1.048 257 A HN 0.288 8.324 8.150 -0.189 0.000 0.464 258 Q N -0.819 118.882 119.800 -0.165 0.000 2.533 258 Q HA 0.352 nan 4.340 nan 0.000 0.251 258 Q C -2.895 173.030 176.000 -0.125 0.000 0.966 258 Q CA -3.347 52.369 55.803 -0.146 0.000 0.714 258 Q CB 1.685 30.377 28.738 -0.075 0.000 1.284 258 Q HN -0.741 7.444 8.270 -0.142 0.000 0.478 259 P HA 0.063 nan 4.420 nan 0.000 0.272 259 P C -1.755 175.585 177.300 0.067 0.000 1.223 259 P CA 0.101 63.151 63.100 -0.083 0.000 0.784 259 P CB 0.666 32.262 31.700 -0.174 0.000 0.923 260 M N -3.650 116.006 119.600 0.093 0.000 2.603 260 M HA 0.545 nan 4.480 nan 0.000 0.275 260 M C -2.246 174.130 176.300 0.126 0.000 1.226 260 M CA -0.647 54.715 55.300 0.105 0.000 0.870 260 M CB 4.538 37.164 32.600 0.044 0.000 1.716 260 M HN -0.078 8.259 8.290 0.078 0.000 0.482 261 H N 0.193 119.231 119.070 -0.053 0.000 2.865 261 H HA 0.359 nan 4.556 nan 0.000 0.362 261 H C -2.356 172.803 175.328 -0.281 0.000 1.114 261 H CA 0.078 56.002 56.048 -0.205 0.000 1.208 261 H CB 4.723 34.291 29.762 -0.323 0.000 1.727 261 H HN 0.227 8.575 8.280 0.113 0.000 0.534 262 A N 4.207 126.594 122.820 -0.722 0.000 2.274 262 A HA 0.398 nan 4.320 nan 0.000 0.309 262 A C -1.997 175.206 177.584 -0.634 0.000 1.226 262 A CA -1.237 50.521 52.037 -0.466 0.000 0.853 262 A CB 1.417 20.246 19.000 -0.286 0.000 1.146 262 A HN 0.436 8.075 8.150 -0.851 0.000 0.518 263 F N 1.383 121.275 119.950 -0.096 0.000 2.469 263 F HA 0.250 nan 4.527 nan 0.000 0.332 263 F C -1.017 174.797 175.800 0.022 0.000 1.103 263 F CA -1.309 56.685 58.000 -0.009 0.000 0.979 263 F CB 3.069 42.103 39.000 0.057 0.000 1.137 263 F HN 0.522 8.879 8.300 0.096 0.000 0.463 264 D N 3.055 123.629 120.400 0.290 0.000 2.371 264 D HA 0.112 nan 4.640 nan 0.000 0.256 264 D C 1.444 177.900 176.300 0.259 0.000 1.193 264 D CA -0.374 53.785 54.000 0.265 0.000 0.881 264 D CB 0.674 41.704 40.800 0.383 0.000 1.143 264 D HN 0.221 8.781 8.370 0.316 0.000 0.473 265 L N 6.055 127.363 121.223 0.141 0.000 2.089 265 L HA -0.487 nan 4.340 nan 0.000 0.213 265 L C 1.979 178.850 176.870 0.000 0.000 1.079 265 L CA 3.481 58.356 54.840 0.059 0.000 0.758 265 L CB -0.117 41.993 42.059 0.085 0.000 0.891 265 L HN 0.190 8.505 8.230 0.140 0.000 0.433 266 R N -1.681 118.776 120.500 -0.071 0.000 2.198 266 R HA -0.452 nan 4.340 nan 0.000 0.258 266 R C 2.209 178.186 176.300 -0.538 0.000 1.173 266 R CA 2.983 58.871 56.100 -0.354 0.000 0.991 266 R CB -0.193 29.754 30.300 -0.589 0.000 0.879 266 R HN -0.620 7.801 8.270 -0.002 -0.153 0.460 267 F N -6.525 113.441 119.950 0.026 0.000 2.721 267 F HA -0.007 nan 4.527 nan 0.000 0.301 267 F C 0.461 176.340 175.800 0.131 0.000 1.096 267 F CA 1.181 59.203 58.000 0.036 0.000 1.308 267 F CB 0.353 39.388 39.000 0.058 0.000 1.086 267 F HN -0.515 7.749 8.300 0.173 0.140 0.587 268 V N -2.873 117.137 119.914 0.161 0.000 2.283 268 V HA -0.264 nan 4.120 nan 0.000 0.243 268 V C 0.233 176.342 176.094 0.025 0.000 1.039 268 V CA 1.988 64.306 62.300 0.031 0.000 1.016 268 V CB 0.135 31.865 31.823 -0.154 0.000 0.650 268 V HN -0.094 8.020 8.190 0.095 0.133 0.449 269 G N -3.081 105.707 108.800 -0.021 0.000 2.603 269 G HA2 -0.411 nan 3.960 nan 0.000 0.245 269 G HA3 -0.411 nan 3.960 nan 0.000 0.245 269 G C -0.124 174.622 174.900 -0.256 0.000 1.195 269 G CA 0.021 45.083 45.100 -0.063 0.000 0.953 269 G HN -0.926 7.342 8.290 -0.038 0.000 0.566 270 E N 3.542 123.421 120.200 -0.536 0.000 2.371 270 E HA -0.012 nan 4.350 nan 0.000 0.194 270 E C -0.443 175.650 176.600 -0.844 0.000 1.012 270 E CA 1.329 57.349 56.400 -0.633 0.000 0.860 270 E CB 1.020 30.362 29.700 -0.597 0.000 0.811 270 E HN 0.201 8.188 8.360 -0.622 0.000 0.502 271 G N -4.288 103.800 108.800 -1.186 0.000 2.316 271 G HA2 0.117 nan 3.960 nan 0.000 0.296 271 G HA3 0.117 nan 3.960 nan 0.000 0.296 271 G C -2.785 171.747 174.900 -0.613 0.000 1.399 271 G CA -0.209 44.404 45.100 -0.812 0.000 0.833 271 G HN -0.894 6.672 8.290 -1.206 0.000 0.565 272 I N -0.598 119.899 120.570 -0.122 0.000 2.440 272 I HA 0.640 nan 4.170 nan 0.000 0.294 272 I C -1.705 174.511 176.117 0.165 0.000 0.995 272 I CA -2.953 58.326 61.300 -0.035 0.000 1.306 272 I CB 0.918 38.908 38.000 -0.017 0.000 1.407 272 I HN 0.407 8.641 8.210 0.040 0.000 0.501 273 A N 6.779 129.643 122.820 0.074 0.000 2.375 273 A HA 0.508 nan 4.320 nan 0.000 0.291 273 A C -1.850 175.663 177.584 -0.120 0.000 1.160 273 A CA -1.347 50.706 52.037 0.026 0.000 0.747 273 A CB 2.042 21.090 19.000 0.080 0.000 1.170 273 A HN 1.037 9.078 8.150 -0.033 0.089 0.458 274 V N 6.517 126.300 119.914 -0.218 0.000 2.408 274 V HA 0.502 nan 4.120 nan 0.000 0.267 274 V C -1.495 174.531 176.094 -0.114 0.000 1.047 274 V CA -0.116 62.064 62.300 -0.200 0.000 0.937 274 V CB -0.805 30.831 31.823 -0.312 0.000 0.999 274 V HN 0.263 8.305 8.190 -0.247 0.000 0.472 275 R N 5.259 125.710 120.500 -0.081 0.000 2.752 275 R HA 0.483 nan 4.340 nan 0.000 0.271 275 R C -1.976 174.294 176.300 -0.051 0.000 1.026 275 R CA -1.254 54.807 56.100 -0.066 0.000 0.901 275 R CB 3.295 33.548 30.300 -0.079 0.000 1.243 275 R HN 0.428 8.652 8.270 -0.077 0.000 0.463 276 R N -0.186 120.290 120.500 -0.040 0.000 2.615 276 R HA 0.182 nan 4.340 nan 0.000 0.270 276 R C 0.051 176.332 176.300 -0.031 0.000 1.081 276 R CA 0.010 56.093 56.100 -0.029 0.000 1.154 276 R CB 0.439 30.727 30.300 -0.020 0.000 1.063 276 R HN 0.256 8.501 8.270 -0.042 0.000 0.519 277 A N 2.763 125.572 122.820 -0.019 0.000 2.371 277 A HA 0.015 nan 4.320 nan 0.000 0.257 277 A C -0.264 177.306 177.584 -0.023 0.000 1.089 277 A CA -0.054 51.975 52.037 -0.013 0.000 0.794 277 A CB 1.034 20.040 19.000 0.010 0.000 1.029 277 A HN 0.414 8.559 8.150 -0.008 0.000 0.488 278 R N 0.328 120.817 120.500 -0.019 0.000 2.500 278 R HA 0.189 nan 4.340 nan 0.000 0.277 278 R C 0.428 176.712 176.300 -0.027 0.000 1.026 278 R CA -2.907 53.177 56.100 -0.027 0.000 1.058 278 R CB 0.939 31.228 30.300 -0.018 0.000 1.078 278 R HN 0.115 8.708 8.270 -0.010 -0.328 0.509 279 E N 0.649 120.824 120.200 -0.042 0.000 2.608 279 E HA -0.249 nan 4.350 nan 0.000 0.259 279 E C 0.735 177.326 176.600 -0.016 0.000 0.951 279 E CA 1.847 58.221 56.400 -0.045 0.000 0.945 279 E CB -0.499 29.172 29.700 -0.048 0.000 0.916 279 E HN 0.451 8.784 8.360 -0.045 0.000 0.477 280 G N 4.616 113.412 108.800 -0.007 0.000 2.175 280 G HA2 -0.387 nan 3.960 nan 0.000 0.265 280 G HA3 -0.387 nan 3.960 nan 0.000 0.265 280 G C -0.323 174.590 174.900 0.023 0.000 0.979 280 G CA 0.255 45.361 45.100 0.011 0.000 0.663 280 G HN 0.475 8.757 8.290 -0.014 0.000 0.533 281 E N 0.586 120.801 120.200 0.024 0.000 2.384 281 E HA -0.092 nan 4.350 nan 0.000 0.266 281 E C -0.851 175.777 176.600 0.047 0.000 1.012 281 E CA 0.219 56.640 56.400 0.035 0.000 0.901 281 E CB 1.239 30.956 29.700 0.029 0.000 0.967 281 E HN -0.348 7.956 8.360 0.015 0.066 0.435 282 R N 1.744 122.273 120.500 0.049 0.000 2.828 282 R HA 0.785 nan 4.340 nan 0.000 0.264 282 R C -1.160 175.171 176.300 0.052 0.000 1.022 282 R CA -1.409 54.722 56.100 0.052 0.000 1.021 282 R CB 2.697 33.023 30.300 0.044 0.000 1.163 282 R HN 0.144 8.444 8.270 0.051 0.000 0.494 283 L N 0.381 121.633 121.223 0.048 0.000 2.588 283 L HA 0.303 nan 4.340 nan 0.000 0.263 283 L C -2.327 174.562 176.870 0.033 0.000 0.935 283 L CA -0.161 54.704 54.840 0.041 0.000 0.891 283 L CB 3.827 45.904 42.059 0.030 0.000 1.318 283 L HN 0.414 8.675 8.230 0.052 0.000 0.409 284 K N 5.904 126.318 120.400 0.024 0.000 2.257 284 K HA 0.389 nan 4.320 nan 0.000 0.270 284 K C -0.453 176.153 176.600 0.010 0.000 1.098 284 K CA -1.252 55.045 56.287 0.016 0.000 0.943 284 K CB 0.501 33.005 32.500 0.007 0.000 1.316 284 K HN 0.251 8.516 8.250 0.025 0.000 0.447 285 T N 2.447 117.007 114.554 0.010 0.000 2.898 285 T HA 0.280 nan 4.350 nan 0.000 0.301 285 T C 1.699 176.399 174.700 -0.001 0.000 1.049 285 T CA -0.841 61.259 62.100 0.000 0.000 1.095 285 T CB 0.776 69.640 68.868 -0.007 0.000 0.976 285 T HN 0.096 8.346 8.240 0.017 0.000 0.539 286 L N 1.940 123.159 121.223 -0.006 0.000 2.151 286 L HA -0.471 nan 4.340 nan 0.000 0.219 286 L C 1.093 177.963 176.870 -0.000 0.000 1.083 286 L CA 2.855 57.693 54.840 -0.004 0.000 0.782 286 L CB -0.283 41.773 42.059 -0.004 0.000 0.891 286 L HN 0.868 9.090 8.230 -0.013 0.000 0.439 287 D N -3.091 117.311 120.400 0.003 0.000 2.351 287 D HA -0.146 nan 4.640 nan 0.000 0.216 287 D C 1.401 177.709 176.300 0.013 0.000 0.968 287 D CA 0.313 54.319 54.000 0.010 0.000 0.899 287 D CB -0.123 40.686 40.800 0.015 0.000 0.907 287 D HN -0.350 7.988 8.370 0.001 0.032 0.514 288 G N -2.445 106.361 108.800 0.009 0.000 2.234 288 G HA2 -0.442 nan 3.960 nan 0.000 0.235 288 G HA3 -0.442 nan 3.960 nan 0.000 0.235 288 G C -0.605 174.303 174.900 0.014 0.000 0.997 288 G CA 0.110 45.216 45.100 0.010 0.000 0.623 288 G HN 0.199 8.291 8.290 0.006 0.201 0.514 289 V N 2.794 122.719 119.914 0.018 0.000 2.555 289 V HA -0.113 nan 4.120 nan 0.000 0.286 289 V C -0.877 175.233 176.094 0.026 0.000 1.044 289 V CA 0.334 62.648 62.300 0.023 0.000 1.026 289 V CB 0.271 32.112 31.823 0.030 0.000 0.981 289 V HN -0.481 7.875 8.190 0.018 -0.156 0.480 290 E N 6.533 126.749 120.200 0.027 0.000 2.089 290 E HA 0.320 nan 4.350 nan 0.000 0.284 290 E C -0.693 175.932 176.600 0.042 0.000 1.023 290 E CA -0.459 55.959 56.400 0.030 0.000 0.819 290 E CB 0.716 30.430 29.700 0.024 0.000 1.076 290 E HN 0.307 8.681 8.360 0.024 0.000 0.396 291 R N 6.120 126.654 120.500 0.057 0.000 2.691 291 R HA 0.405 nan 4.340 nan 0.000 0.259 291 R C -0.983 175.372 176.300 0.091 0.000 1.048 291 R CA -0.991 55.163 56.100 0.090 0.000 1.086 291 R CB 2.551 32.936 30.300 0.142 0.000 1.166 291 R HN 0.784 8.983 8.270 0.051 0.102 0.526 292 T N 2.207 116.828 114.554 0.112 0.000 2.912 292 T HA 0.472 nan 4.350 nan 0.000 0.326 292 T C 0.286 175.083 174.700 0.162 0.000 1.080 292 T CA -0.668 61.492 62.100 0.099 0.000 1.000 292 T CB -0.456 68.448 68.868 0.059 0.000 1.008 292 T HN 0.264 8.577 8.240 0.121 0.000 0.473 293 L N 7.363 128.678 121.223 0.153 0.000 2.514 293 L HA -0.162 nan 4.340 nan 0.000 0.280 293 L C -1.020 175.960 176.870 0.183 0.000 1.223 293 L CA 0.356 55.310 54.840 0.189 0.000 0.864 293 L CB 0.301 42.414 42.059 0.090 0.000 1.118 293 L HN 0.323 8.616 8.230 0.105 0.000 0.494 294 H N 4.820 123.967 119.070 0.129 0.000 2.463 294 H HA 0.281 nan 4.556 nan 0.000 0.332 294 H C -0.729 174.628 175.328 0.048 0.000 1.127 294 H CA -2.369 53.724 56.048 0.074 0.000 1.238 294 H CB 2.818 32.632 29.762 0.086 0.000 1.478 294 H HN -0.281 8.520 8.280 0.378 -0.294 0.499 295 P HA -0.189 nan 4.420 nan 0.000 0.223 295 P C -0.256 177.019 177.300 -0.042 0.000 1.140 295 P CA 1.881 64.855 63.100 -0.209 0.000 0.783 295 P CB 0.008 31.526 31.700 -0.304 0.000 0.759 296 E N -2.952 117.367 120.200 0.198 0.000 2.501 296 E HA 0.076 nan 4.350 nan 0.000 0.201 296 E C -1.119 175.584 176.600 0.172 0.000 1.016 296 E CA -0.492 56.052 56.400 0.240 0.000 0.920 296 E CB 0.857 30.764 29.700 0.345 0.000 1.023 296 E HN -0.374 8.131 8.360 0.422 0.108 0.474 297 D N 1.098 121.595 120.400 0.161 0.000 2.295 297 D HA 0.153 nan 4.640 nan 0.000 0.248 297 D C -1.274 175.016 176.300 -0.018 0.000 1.154 297 D CA -0.274 53.758 54.000 0.053 0.000 0.857 297 D CB 0.709 41.538 40.800 0.048 0.000 1.117 297 D HN 0.244 8.560 8.370 0.173 0.159 0.468 298 L N 2.832 124.013 121.223 -0.070 0.000 2.456 298 L HA 0.347 nan 4.340 nan 0.000 0.272 298 L C -1.129 175.661 176.870 -0.133 0.000 1.189 298 L CA 1.014 55.792 54.840 -0.102 0.000 0.846 298 L CB 0.920 42.881 42.059 -0.163 0.000 1.111 298 L HN 0.366 8.549 8.230 -0.079 0.000 0.475 299 V N 4.505 124.359 119.914 -0.101 0.000 2.971 299 V HA 0.546 nan 4.120 nan 0.000 0.309 299 V C -1.192 174.862 176.094 -0.066 0.000 1.130 299 V CA -1.123 61.126 62.300 -0.086 0.000 0.964 299 V CB 4.357 36.147 31.823 -0.055 0.000 1.029 299 V HN 0.739 8.882 8.190 -0.079 0.000 0.427 300 I N 4.234 124.781 120.570 -0.038 0.000 2.315 300 I HA 0.632 nan 4.170 nan 0.000 0.291 300 I C -1.783 174.271 176.117 -0.105 0.000 1.006 300 I CA -1.904 59.376 61.300 -0.033 0.000 1.265 300 I CB -0.470 37.569 38.000 0.065 0.000 1.387 300 I HN 0.350 8.542 8.210 -0.029 0.000 0.475 301 A N 7.613 130.355 122.820 -0.132 0.000 2.454 301 A HA 0.894 nan 4.320 nan 0.000 0.302 301 A C -2.173 175.274 177.584 -0.227 0.000 1.079 301 A CA -1.946 49.993 52.037 -0.163 0.000 0.731 301 A CB 3.968 22.891 19.000 -0.128 0.000 1.299 301 A HN 0.959 8.927 8.150 -0.120 0.111 0.413 302 G N -1.308 107.232 108.800 -0.433 0.000 2.432 302 G HA2 0.888 nan 3.960 nan 0.000 0.331 302 G HA3 0.888 nan 3.960 nan 0.000 0.331 302 G C -3.017 171.261 174.900 -1.036 0.000 1.170 302 G CA -1.741 43.015 45.100 -0.573 0.000 0.943 302 G HN 0.142 8.133 8.290 -0.498 0.000 0.483 303 W N 0.321 121.226 121.300 -0.657 0.000 2.882 303 W HA 0.910 nan 4.660 nan 0.000 0.345 303 W C -2.983 173.482 176.519 -0.090 0.000 1.125 303 W CA -3.070 53.974 57.345 -0.502 0.000 1.167 303 W CB 3.433 32.733 29.460 -0.268 0.000 1.431 303 W HN -0.122 7.621 8.180 -0.730 0.000 0.543 304 R N 1.919 122.586 120.500 0.278 0.000 2.569 304 R HA 0.198 nan 4.340 nan 0.000 0.293 304 R C 0.400 176.872 176.300 0.287 0.000 1.186 304 R CA -1.033 55.209 56.100 0.237 0.000 0.956 304 R CB 1.847 32.332 30.300 0.308 0.000 1.196 304 R HN 0.667 9.057 8.270 0.377 0.106 0.444 305 G N 9.873 118.847 108.800 0.289 0.000 2.675 305 G HA2 -0.414 nan 3.960 nan 0.000 0.312 305 G HA3 -0.414 nan 3.960 nan 0.000 0.312 305 G C -0.553 174.477 174.900 0.217 0.000 1.186 305 G CA 1.638 46.867 45.100 0.215 0.000 0.965 305 G HN 0.321 9.220 8.290 0.294 -0.433 0.548 306 E N 3.788 124.077 120.200 0.148 0.000 2.685 306 E HA 0.247 nan 4.350 nan 0.000 0.208 306 E C -1.061 175.601 176.600 0.102 0.000 0.996 306 E CA -0.915 55.536 56.400 0.087 0.000 1.054 306 E CB -0.128 29.598 29.700 0.042 0.000 1.075 306 E HN 0.095 8.538 8.360 0.139 0.000 0.460 307 E N 0.723 121.032 120.200 0.182 0.000 2.199 307 E HA 0.261 nan 4.350 nan 0.000 0.269 307 E C -1.521 175.186 176.600 0.179 0.000 0.899 307 E CA -0.962 55.562 56.400 0.208 0.000 0.772 307 E CB 2.509 32.395 29.700 0.310 0.000 1.155 307 E HN -0.400 7.931 8.360 0.243 0.175 0.408 308 S N 2.500 118.250 115.700 0.083 0.000 2.707 308 S HA 0.637 nan 4.470 nan 0.000 0.303 308 S C -1.342 173.222 174.600 -0.060 0.000 1.132 308 S CA -0.546 57.579 58.200 -0.125 0.000 1.046 308 S CB 1.234 64.388 63.200 -0.077 0.000 1.004 308 S HN 0.286 8.661 8.310 0.108 0.000 0.483 309 F N 1.591 121.585 119.950 0.074 0.000 2.522 309 F HA 0.542 nan 4.527 nan 0.000 0.324 309 F C -2.997 172.818 175.800 0.025 0.000 1.077 309 F CA -3.853 54.175 58.000 0.045 0.000 0.944 309 F CB 0.114 39.144 39.000 0.050 0.000 1.175 309 F HN 0.709 8.163 8.300 -1.411 0.000 0.468 310 P HA 0.141 nan 4.420 nan 0.000 0.276 310 P C -1.396 175.977 177.300 0.121 0.000 1.243 310 P CA -0.007 63.142 63.100 0.081 0.000 0.768 310 P CB 0.238 31.977 31.700 0.066 0.000 0.856 311 L N 2.398 123.655 121.223 0.057 0.000 2.515 311 L HA 0.234 nan 4.340 nan 0.000 0.223 311 L C -0.564 176.410 176.870 0.174 0.000 1.079 311 L CA 0.278 55.166 54.840 0.081 0.000 0.857 311 L CB 1.429 43.391 42.059 -0.161 0.000 1.050 311 L HN 0.693 8.916 8.230 -0.012 0.000 0.476 312 G N -4.840 104.026 108.800 0.111 0.000 2.489 312 G HA2 0.228 nan 3.960 nan 0.000 0.291 312 G HA3 0.228 nan 3.960 nan 0.000 0.291 312 G C -3.043 171.862 174.900 0.008 0.000 1.487 312 G CA 0.386 45.548 45.100 0.105 0.000 0.795 312 G HN -0.721 7.596 8.290 0.045 0.000 0.513 313 L N 1.111 122.300 121.223 -0.056 0.000 2.342 313 L HA 0.163 nan 4.340 nan 0.000 0.285 313 L C -0.611 176.154 176.870 -0.177 0.000 1.095 313 L CA -1.169 53.592 54.840 -0.132 0.000 0.843 313 L CB 0.652 42.611 42.059 -0.167 0.000 1.201 313 L HN 0.558 8.755 8.230 -0.055 0.000 0.445 314 A N 5.292 127.958 122.820 -0.257 0.000 2.573 314 A HA -0.264 nan 4.320 nan 0.000 0.250 314 A C 0.732 177.883 177.584 -0.722 0.000 1.049 314 A CA 1.272 52.990 52.037 -0.531 0.000 0.767 314 A CB -0.428 18.119 19.000 -0.755 0.000 0.965 314 A HN -0.223 7.796 8.150 -0.218 0.000 0.514 315 G N 4.886 113.338 108.800 -0.580 0.000 2.212 315 G HA2 -0.351 nan 3.960 nan 0.000 0.267 315 G HA3 -0.351 nan 3.960 nan 0.000 0.267 315 G C -0.997 173.955 174.900 0.086 0.000 1.002 315 G CA 1.141 46.116 45.100 -0.208 0.000 0.729 315 G HN 0.376 8.469 8.290 -0.329 0.000 0.517 316 V N -2.542 117.352 119.914 -0.032 0.000 3.278 316 V HA 0.324 nan 4.120 nan 0.000 0.215 316 V C -1.233 174.846 176.094 -0.025 0.000 1.287 316 V CA 0.868 63.167 62.300 -0.002 0.000 1.302 316 V CB 2.579 34.361 31.823 -0.068 0.000 1.228 316 V HN -0.299 7.769 8.190 -0.117 0.052 0.523 317 M N -1.319 118.231 119.600 -0.084 0.000 2.471 317 M HA 0.250 nan 4.480 nan 0.000 0.284 317 M C -2.294 173.909 176.300 -0.162 0.000 1.203 317 M CA 0.112 55.347 55.300 -0.109 0.000 0.915 317 M CB 4.743 37.303 32.600 -0.067 0.000 1.734 317 M HN -0.185 8.040 8.290 -0.109 0.000 0.485 318 G N 0.223 108.862 108.800 -0.269 0.000 2.477 318 G HA2 0.571 nan 3.960 nan 0.000 0.304 318 G HA3 0.571 nan 3.960 nan 0.000 0.304 318 G C -1.583 173.295 174.900 -0.036 0.000 1.175 318 G CA -1.544 43.398 45.100 -0.264 0.000 0.907 318 G HN 0.293 8.424 8.290 -0.265 0.000 0.509 319 G N -1.891 106.962 108.800 0.089 0.000 2.503 319 G HA2 0.110 nan 3.960 nan 0.000 0.257 319 G HA3 0.110 nan 3.960 nan 0.000 0.257 319 G C -1.020 173.902 174.900 0.037 0.000 1.214 319 G CA -0.937 44.201 45.100 0.064 0.000 0.839 319 G HN -0.160 8.260 8.290 0.217 0.000 0.559 320 A N 0.749 123.563 122.820 -0.009 0.000 2.119 320 A HA -0.099 nan 4.320 nan 0.000 0.216 320 A C 1.045 178.562 177.584 -0.112 0.000 1.152 320 A CA 2.188 54.202 52.037 -0.038 0.000 0.708 320 A CB -0.096 18.885 19.000 -0.032 0.000 0.805 320 A HN 0.366 8.511 8.150 -0.008 0.000 0.460 321 E N -1.273 118.821 120.200 -0.176 0.000 2.028 321 E HA -0.304 nan 4.350 nan 0.000 0.190 321 E C 1.646 177.792 176.600 -0.757 0.000 0.984 321 E CA 2.890 59.033 56.400 -0.428 0.000 0.800 321 E CB 0.047 29.499 29.700 -0.414 0.000 0.758 321 E HN 0.164 8.406 8.360 -0.106 0.055 0.448 322 S N -3.410 112.018 115.700 -0.454 0.000 2.607 322 S HA -0.187 nan 4.470 nan 0.000 0.224 322 S C 0.562 175.157 174.600 -0.007 0.000 0.969 322 S CA 1.021 59.087 58.200 -0.222 0.000 0.927 322 S CB -0.419 62.940 63.200 0.265 0.000 0.772 322 S HN 0.027 8.223 8.310 -0.191 0.000 0.533 323 E N 2.299 122.465 120.200 -0.056 0.000 2.534 323 E HA -0.218 nan 4.350 nan 0.000 0.264 323 E C -1.000 175.572 176.600 -0.048 0.000 0.981 323 E CA 1.219 57.589 56.400 -0.049 0.000 0.948 323 E CB 0.618 30.294 29.700 -0.039 0.000 0.934 323 E HN -0.559 7.672 8.360 -0.100 0.069 0.459 324 V N 4.974 124.836 119.914 -0.086 0.000 2.446 324 V HA -0.136 nan 4.120 nan 0.000 0.276 324 V C -0.558 175.515 176.094 -0.036 0.000 1.030 324 V CA 0.621 62.891 62.300 -0.050 0.000 1.033 324 V CB -1.173 30.594 31.823 -0.092 0.000 0.993 324 V HN 0.505 8.601 8.190 -0.156 0.000 0.477 325 R N 6.655 127.154 120.500 -0.001 0.000 3.112 325 R HA 0.276 nan 4.340 nan 0.000 0.227 325 R C 1.345 177.645 176.300 0.000 0.000 1.519 325 R CA -1.553 54.544 56.100 -0.005 0.000 1.051 325 R CB 1.925 32.230 30.300 0.009 0.000 1.652 325 R HN -0.344 7.943 8.270 0.029 0.000 0.517 326 E N 0.449 120.649 120.200 -0.001 0.000 2.085 326 E HA -0.304 nan 4.350 nan 0.000 0.194 326 E C 1.010 177.615 176.600 0.008 0.000 0.994 326 E CA 3.083 59.482 56.400 -0.002 0.000 0.801 326 E CB -0.452 29.246 29.700 -0.003 0.000 0.743 326 E HN 0.477 8.836 8.360 -0.002 0.000 0.453 327 D N -5.139 115.274 120.400 0.022 0.000 2.340 327 D HA 0.023 nan 4.640 nan 0.000 0.220 327 D C -0.160 176.162 176.300 0.036 0.000 1.039 327 D CA 0.151 54.166 54.000 0.026 0.000 0.866 327 D CB -0.023 40.794 40.800 0.030 0.000 0.913 327 D HN -0.074 8.312 8.370 0.027 0.000 0.523 328 T N 3.196 117.775 114.554 0.041 0.000 2.888 328 T HA 0.014 nan 4.350 nan 0.000 0.301 328 T C -0.571 174.153 174.700 0.040 0.000 1.001 328 T CA 1.673 63.805 62.100 0.053 0.000 1.147 328 T CB 0.569 69.470 68.868 0.054 0.000 0.931 328 T HN -0.731 7.458 8.240 0.034 0.071 0.541 329 E N 4.238 124.470 120.200 0.054 0.000 2.474 329 E HA 0.225 nan 4.350 nan 0.000 0.215 329 E C -1.740 174.911 176.600 0.085 0.000 0.867 329 E CA 0.534 56.969 56.400 0.058 0.000 1.135 329 E CB 1.862 31.598 29.700 0.059 0.000 1.147 329 E HN 0.377 8.774 8.360 0.062 0.000 0.534 330 A N -2.441 120.444 122.820 0.108 0.000 2.520 330 A HA 0.936 nan 4.320 nan 0.000 0.298 330 A C -2.661 175.019 177.584 0.160 0.000 1.051 330 A CA -0.568 51.564 52.037 0.158 0.000 0.690 330 A CB 2.763 21.918 19.000 0.257 0.000 1.281 330 A HN -0.337 7.872 8.150 0.099 0.000 0.402 331 I N -4.758 115.911 120.570 0.165 0.000 3.174 331 I HA 1.024 nan 4.170 nan 0.000 0.313 331 I C -2.519 173.708 176.117 0.183 0.000 1.155 331 I CA -2.555 58.830 61.300 0.141 0.000 0.977 331 I CB 4.420 42.459 38.000 0.065 0.000 1.248 331 I HN 0.474 8.776 8.210 0.154 0.000 0.453 332 A N -0.729 122.152 122.820 0.101 0.000 2.318 332 A HA 0.735 nan 4.320 nan 0.000 0.317 332 A C -2.317 175.361 177.584 0.155 0.000 1.159 332 A CA -1.986 50.072 52.037 0.035 0.000 0.799 332 A CB 2.022 20.841 19.000 -0.302 0.000 1.194 332 A HN 0.489 8.714 8.150 0.125 0.000 0.479 333 L N 3.571 124.893 121.223 0.165 0.000 2.255 333 L HA 0.402 nan 4.340 nan 0.000 0.289 333 L C -1.170 175.776 176.870 0.127 0.000 1.046 333 L CA -0.827 54.082 54.840 0.116 0.000 0.816 333 L CB 1.224 43.329 42.059 0.077 0.000 1.197 333 L HN 0.267 8.624 8.230 0.211 0.000 0.427 334 E N 7.314 127.605 120.200 0.151 0.000 2.229 334 E HA 0.363 nan 4.350 nan 0.000 0.283 334 E C -1.935 174.632 176.600 -0.056 0.000 1.030 334 E CA -0.273 56.174 56.400 0.078 0.000 0.836 334 E CB 1.701 31.615 29.700 0.357 0.000 1.068 334 E HN 0.648 9.101 8.360 0.155 0.000 0.401 335 V N 6.949 126.707 119.914 -0.261 0.000 2.555 335 V HA 0.454 nan 4.120 nan 0.000 0.283 335 V C -2.439 173.416 176.094 -0.398 0.000 1.020 335 V CA -0.146 62.035 62.300 -0.197 0.000 0.883 335 V CB 1.715 33.468 31.823 -0.116 0.000 1.030 335 V HN 0.093 8.009 8.190 -0.457 0.000 0.448 336 A N 6.034 128.636 122.820 -0.363 0.000 2.583 336 A HA 0.756 nan 4.320 nan 0.000 0.289 336 A C -2.262 175.082 177.584 -0.400 0.000 1.151 336 A CA -1.833 49.871 52.037 -0.554 0.000 0.695 336 A CB 3.565 21.962 19.000 -1.005 0.000 1.290 336 A HN -0.031 8.041 8.150 -0.129 0.000 0.419 337 C N 0.340 119.370 119.300 -0.449 0.000 2.319 337 C HA 0.458 nan 4.460 nan 0.000 0.323 337 C C -1.699 172.994 174.990 -0.495 0.000 1.277 337 C CA -1.270 57.622 59.018 -0.211 0.000 1.517 337 C CB -0.517 27.238 27.740 0.024 0.000 2.206 337 C HN 0.201 8.167 8.230 -0.441 0.000 0.486 338 F N 4.706 124.542 119.950 -0.190 0.000 2.497 338 F HA 0.159 nan 4.527 nan 0.000 0.331 338 F C -1.279 174.482 175.800 -0.065 0.000 1.060 338 F CA -1.447 56.431 58.000 -0.204 0.000 0.989 338 F CB 3.072 41.800 39.000 -0.452 0.000 1.245 338 F HN 0.111 8.244 8.300 -0.278 0.000 0.486 339 D N 1.798 122.301 120.400 0.173 0.000 2.383 339 D HA 0.159 nan 4.640 nan 0.000 0.252 339 D C -0.458 175.912 176.300 0.116 0.000 1.166 339 D CA -2.366 51.704 54.000 0.117 0.000 0.879 339 D CB 1.689 42.544 40.800 0.093 0.000 1.164 339 D HN -0.357 8.145 8.370 0.220 0.000 0.462 340 P HA -0.248 nan 4.420 nan 0.000 0.215 340 P C 0.902 178.255 177.300 0.088 0.000 1.157 340 P CA 2.145 65.317 63.100 0.119 0.000 0.868 340 P CB 0.144 31.906 31.700 0.102 0.000 0.788 341 V N -3.296 116.659 119.914 0.070 0.000 2.295 341 V HA -0.385 nan 4.120 nan 0.000 0.246 341 V C 2.026 178.147 176.094 0.046 0.000 1.049 341 V CA 4.727 67.059 62.300 0.054 0.000 1.024 341 V CB -0.963 30.887 31.823 0.046 0.000 0.648 341 V HN -0.255 8.183 8.190 0.070 -0.206 0.447 342 S N -0.239 115.488 115.700 0.045 0.000 2.348 342 S HA -0.283 nan 4.470 nan 0.000 0.221 342 S C 2.036 176.642 174.600 0.011 0.000 1.033 342 S CA 3.571 61.788 58.200 0.028 0.000 1.010 342 S CB -0.486 62.731 63.200 0.027 0.000 0.891 342 S HN -0.643 8.086 8.310 0.054 -0.387 0.442 343 I N 1.430 122.008 120.570 0.012 0.000 2.208 343 I HA -0.431 nan 4.170 nan 0.000 0.245 343 I C 1.924 178.062 176.117 0.035 0.000 1.097 343 I CA 2.237 63.536 61.300 -0.001 0.000 1.363 343 I CB -1.475 36.551 38.000 0.044 0.000 1.051 343 I HN -0.269 7.962 8.210 0.034 0.000 0.413 344 R N 0.194 120.728 120.500 0.057 0.000 2.082 344 R HA -0.489 nan 4.340 nan 0.000 0.234 344 R C 2.118 178.443 176.300 0.041 0.000 1.136 344 R CA 4.332 60.468 56.100 0.059 0.000 0.935 344 R CB -0.157 30.179 30.300 0.060 0.000 0.842 344 R HN 0.338 8.639 8.270 0.063 0.007 0.430 345 K N -2.055 118.362 120.400 0.029 0.000 2.032 345 K HA -0.363 nan 4.320 nan 0.000 0.209 345 K C 2.557 179.169 176.600 0.020 0.000 1.048 345 K CA 3.586 59.881 56.287 0.013 0.000 0.927 345 K CB -0.316 32.185 32.500 0.002 0.000 0.712 345 K HN -0.158 8.110 8.250 0.031 0.000 0.441 346 T N 1.406 115.975 114.554 0.026 0.000 2.746 346 T HA -0.255 nan 4.350 nan 0.000 0.267 346 T C 2.016 176.777 174.700 0.101 0.000 1.039 346 T CA 4.635 66.769 62.100 0.057 0.000 1.142 346 T CB -0.693 68.153 68.868 -0.036 0.000 0.866 346 T HN -0.174 8.074 8.240 0.013 0.000 0.444 347 A N 1.617 124.467 122.820 0.050 0.000 1.858 347 A HA -0.301 nan 4.320 nan 0.000 0.216 347 A C 1.965 179.597 177.584 0.080 0.000 1.190 347 A CA 3.232 55.304 52.037 0.059 0.000 0.617 347 A CB -0.735 18.300 19.000 0.058 0.000 0.827 347 A HN 0.237 8.407 8.150 0.034 0.000 0.443 348 R N -1.724 118.811 120.500 0.058 0.000 2.080 348 R HA -0.301 nan 4.340 nan 0.000 0.236 348 R C 2.893 179.210 176.300 0.027 0.000 1.137 348 R CA 2.665 58.786 56.100 0.036 0.000 0.943 348 R CB -0.611 29.700 30.300 0.017 0.000 0.846 348 R HN 0.009 8.309 8.270 0.051 0.000 0.431 349 R N 0.090 120.608 120.500 0.029 0.000 2.112 349 R HA -0.300 nan 4.340 nan 0.000 0.242 349 R C 1.929 178.165 176.300 -0.108 0.000 1.137 349 R CA 2.943 59.014 56.100 -0.049 0.000 0.944 349 R CB -0.100 30.178 30.300 -0.035 0.000 0.857 349 R HN 0.195 8.489 8.270 0.040 0.000 0.435 350 H N -4.744 114.308 119.070 -0.030 0.000 2.536 350 H HA 0.138 nan 4.556 nan 0.000 0.276 350 H C -0.709 174.614 175.328 -0.009 0.000 1.019 350 H CA -0.362 55.677 56.048 -0.015 0.000 1.159 350 H CB -0.560 29.196 29.762 -0.010 0.000 1.373 350 H HN -0.487 8.013 8.280 0.367 0.000 0.584 351 G N -1.246 107.597 108.800 0.071 0.000 2.283 351 G HA2 -0.457 nan 3.960 nan 0.000 0.280 351 G HA3 -0.457 nan 3.960 nan 0.000 0.280 351 G C -0.528 174.403 174.900 0.052 0.000 1.029 351 G CA 1.041 46.167 45.100 0.043 0.000 0.840 351 G HN -0.232 7.885 8.290 0.052 0.205 0.505 352 L N -0.285 120.979 121.223 0.068 0.000 2.334 352 L HA 0.195 nan 4.340 nan 0.000 0.272 352 L C -1.572 175.325 176.870 0.044 0.000 1.020 352 L CA -0.689 54.182 54.840 0.051 0.000 0.812 352 L CB 1.786 43.873 42.059 0.047 0.000 1.264 352 L HN -0.230 8.039 8.230 0.085 0.012 0.439 353 R N 0.898 121.419 120.500 0.036 0.000 2.605 353 R HA 0.297 nan 4.340 nan 0.000 0.291 353 R C -1.452 174.868 176.300 0.035 0.000 1.226 353 R CA -0.236 55.887 56.100 0.038 0.000 0.981 353 R CB 1.300 31.608 30.300 0.013 0.000 1.215 353 R HN 0.040 8.329 8.270 0.031 0.000 0.428 354 T N 4.291 118.880 114.554 0.057 0.000 2.926 354 T HA 0.529 nan 4.350 nan 0.000 0.289 354 T C 0.490 175.237 174.700 0.079 0.000 1.054 354 T CA -1.649 60.482 62.100 0.051 0.000 1.015 354 T CB 2.958 71.853 68.868 0.045 0.000 1.167 354 T HN 0.708 8.995 8.240 0.078 0.000 0.526 355 E N 1.286 121.522 120.200 0.060 0.000 2.153 355 E HA -0.326 nan 4.350 nan 0.000 0.194 355 E C 1.697 178.323 176.600 0.043 0.000 0.988 355 E CA 3.661 60.103 56.400 0.070 0.000 0.811 355 E CB -0.395 29.325 29.700 0.034 0.000 0.746 355 E HN 0.653 9.038 8.360 0.042 0.000 0.466 356 A N -0.364 122.481 122.820 0.041 0.000 1.854 356 A HA -0.166 nan 4.320 nan 0.000 0.214 356 A C 2.195 179.845 177.584 0.109 0.000 1.192 356 A CA 3.125 55.179 52.037 0.028 0.000 0.611 356 A CB -0.917 18.163 19.000 0.134 0.000 0.832 356 A HN 0.104 8.269 8.150 0.053 0.017 0.442 357 S N -0.396 115.414 115.700 0.182 0.000 2.368 357 S HA -0.357 nan 4.470 nan 0.000 0.225 357 S C 2.049 176.762 174.600 0.188 0.000 1.030 357 S CA 3.599 61.933 58.200 0.223 0.000 0.999 357 S CB -0.626 62.663 63.200 0.148 0.000 0.844 357 S HN -0.127 8.268 8.310 0.141 0.000 0.459 358 H N 4.240 123.338 119.070 0.047 0.000 2.319 358 H HA -0.349 nan 4.556 nan 0.000 0.297 358 H C 2.196 177.524 175.328 0.000 0.000 1.097 358 H CA 3.733 59.793 56.048 0.021 0.000 1.285 358 H CB 0.085 29.846 29.762 -0.001 0.000 1.368 358 H HN 0.060 8.467 8.280 0.221 0.005 0.495 359 R N -2.417 117.935 120.500 -0.248 0.000 2.119 359 R HA -0.234 nan 4.340 nan 0.000 0.222 359 R C 2.762 178.931 176.300 -0.218 0.000 1.088 359 R CA 2.968 58.863 56.100 -0.341 0.000 0.984 359 R CB -0.094 29.983 30.300 -0.372 0.000 0.884 359 R HN -0.624 7.570 8.270 -0.127 0.000 0.447 360 F N -0.399 119.553 119.950 0.003 0.000 2.206 360 F HA -0.265 nan 4.527 nan 0.000 0.298 360 F C 1.286 177.110 175.800 0.041 0.000 1.090 360 F CA 2.667 60.702 58.000 0.059 0.000 1.323 360 F CB -0.371 38.710 39.000 0.135 0.000 1.028 360 F HN -0.177 8.010 8.300 -0.053 0.081 0.492 361 E N -2.306 118.011 120.200 0.195 0.000 2.077 361 E HA -0.295 nan 4.350 nan 0.000 0.193 361 E C 1.904 178.546 176.600 0.070 0.000 0.989 361 E CA 2.039 58.514 56.400 0.124 0.000 0.800 361 E CB -0.023 29.739 29.700 0.103 0.000 0.746 361 E HN -0.085 8.381 8.360 0.176 0.000 0.452 362 R N -3.180 117.320 120.500 -0.001 0.000 2.148 362 R HA -0.099 nan 4.340 nan 0.000 0.223 362 R C 0.425 176.731 176.300 0.011 0.000 1.088 362 R CA -0.066 56.021 56.100 -0.022 0.000 0.985 362 R CB 0.636 30.872 30.300 -0.108 0.000 0.880 362 R HN -0.615 7.622 8.270 -0.055 0.000 0.451 363 G N -3.360 105.463 108.800 0.038 0.000 2.428 363 G HA2 -0.144 nan 3.960 nan 0.000 0.681 363 G HA3 -0.144 nan 3.960 nan 0.000 0.681 363 G C -2.730 172.195 174.900 0.042 0.000 1.340 363 G CA -0.794 44.347 45.100 0.070 0.000 0.915 363 G HN -0.349 7.879 8.290 0.037 0.084 0.645 364 V N -0.725 119.236 119.914 0.080 0.000 3.007 364 V HA 0.225 nan 4.120 nan 0.000 0.311 364 V C -1.305 174.824 176.094 0.059 0.000 1.120 364 V CA -2.216 60.112 62.300 0.047 0.000 0.980 364 V CB 3.403 35.281 31.823 0.092 0.000 1.033 364 V HN 0.202 8.457 8.190 0.108 0.000 0.429 365 D N 4.910 125.337 120.400 0.045 0.000 2.426 365 D HA 0.107 nan 4.640 nan 0.000 0.261 365 D C 0.725 177.065 176.300 0.068 0.000 1.245 365 D CA -1.734 52.304 54.000 0.063 0.000 0.917 365 D CB 0.539 41.376 40.800 0.062 0.000 1.123 365 D HN 0.342 8.724 8.370 0.019 0.000 0.508 366 P HA -0.107 nan 4.420 nan 0.000 0.223 366 P C -0.550 176.775 177.300 0.040 0.000 1.144 366 P CA 1.564 64.692 63.100 0.046 0.000 0.783 366 P CB 0.158 31.864 31.700 0.010 0.000 0.771 367 L N -5.943 115.310 121.223 0.051 0.000 3.229 367 L HA 0.368 nan 4.340 nan 0.000 0.286 367 L C 0.745 177.665 176.870 0.083 0.000 1.239 367 L CA -0.592 54.282 54.840 0.056 0.000 1.035 367 L CB 0.175 42.243 42.059 0.016 0.000 1.408 367 L HN -0.519 7.981 8.230 0.053 -0.238 0.593 368 G N -1.233 107.613 108.800 0.076 0.000 2.838 368 G HA2 0.093 nan 3.960 nan 0.000 0.210 368 G HA3 0.093 nan 3.960 nan 0.000 0.210 368 G C 0.238 175.157 174.900 0.032 0.000 1.153 368 G CA 0.509 45.631 45.100 0.038 0.000 0.778 368 G HN -0.111 8.123 8.290 0.084 0.107 0.539 369 Q N 1.356 121.191 119.800 0.058 0.000 1.998 369 Q HA -0.456 nan 4.340 nan 0.000 0.209 369 Q C 2.260 178.252 176.000 -0.013 0.000 1.002 369 Q CA 3.362 59.157 55.803 -0.012 0.000 0.858 369 Q CB -1.033 27.634 28.738 -0.117 0.000 0.932 369 Q HN -0.113 8.169 8.270 0.120 0.060 0.416 370 V N -1.379 118.549 119.914 0.023 0.000 2.282 370 V HA -0.303 nan 4.120 nan 0.000 0.249 370 V C -0.055 176.050 176.094 0.018 0.000 1.057 370 V CA 5.533 67.847 62.300 0.024 0.000 1.032 370 V CB -2.378 29.479 31.823 0.055 0.000 0.645 370 V HN 0.336 8.572 8.190 0.077 0.000 0.447 371 P HA -0.217 nan 4.420 nan 0.000 0.216 371 P C 1.153 178.455 177.300 0.004 0.000 1.150 371 P CA 2.979 66.083 63.100 0.008 0.000 0.837 371 P CB -0.698 31.001 31.700 -0.002 0.000 0.786 372 A N -2.693 120.126 122.820 -0.002 0.000 1.933 372 A HA -0.291 nan 4.320 nan 0.000 0.218 372 A C 2.280 179.870 177.584 0.009 0.000 1.175 372 A CA 3.047 55.083 52.037 -0.001 0.000 0.628 372 A CB -0.872 18.121 19.000 -0.012 0.000 0.814 372 A HN -0.125 7.930 8.150 -0.003 0.093 0.444 373 Q N -1.628 118.175 119.800 0.005 0.000 2.020 373 Q HA -0.380 nan 4.340 nan 0.000 0.202 373 Q C 2.792 178.804 176.000 0.021 0.000 0.982 373 Q CA 3.515 59.327 55.803 0.014 0.000 0.838 373 Q CB -0.286 28.462 28.738 0.016 0.000 0.899 373 Q HN -0.205 7.977 8.270 -0.002 0.087 0.423 374 R N -1.666 118.846 120.500 0.020 0.000 2.105 374 R HA -0.337 nan 4.340 nan 0.000 0.239 374 R C 2.605 178.917 176.300 0.020 0.000 1.135 374 R CA 3.349 59.460 56.100 0.019 0.000 0.967 374 R CB -0.371 29.939 30.300 0.017 0.000 0.861 374 R HN -0.274 8.007 8.270 0.018 0.000 0.442 375 R N -0.611 119.906 120.500 0.027 0.000 2.061 375 R HA -0.242 nan 4.340 nan 0.000 0.230 375 R C 2.052 178.382 176.300 0.050 0.000 1.140 375 R CA 2.932 59.059 56.100 0.045 0.000 0.940 375 R CB -0.244 30.091 30.300 0.059 0.000 0.839 375 R HN -0.301 7.898 8.270 0.023 0.085 0.429 376 A N -0.481 122.366 122.820 0.045 0.000 1.902 376 A HA -0.226 nan 4.320 nan 0.000 0.217 376 A C 2.489 180.079 177.584 0.011 0.000 1.181 376 A CA 3.104 55.163 52.037 0.037 0.000 0.623 376 A CB -0.859 18.159 19.000 0.029 0.000 0.818 376 A HN -0.125 8.048 8.150 0.039 0.000 0.443 377 L N -2.224 119.003 121.223 0.007 0.000 1.989 377 L HA -0.487 nan 4.340 nan 0.000 0.211 377 L C 2.103 178.959 176.870 -0.023 0.000 1.071 377 L CA 3.126 57.959 54.840 -0.011 0.000 0.749 377 L CB -0.650 41.409 42.059 -0.000 0.000 0.890 377 L HN 0.425 8.665 8.230 0.016 0.000 0.431 378 S N -0.390 115.304 115.700 -0.009 0.000 2.365 378 S HA -0.377 nan 4.470 nan 0.000 0.225 378 S C 2.593 177.184 174.600 -0.014 0.000 1.039 378 S CA 3.838 62.031 58.200 -0.012 0.000 1.033 378 S CB -0.259 62.943 63.200 0.003 0.000 0.887 378 S HN -0.287 8.025 8.310 0.003 0.000 0.447 379 L N 1.186 122.409 121.223 0.000 0.000 2.093 379 L HA -0.295 nan 4.340 nan 0.000 0.208 379 L C 2.028 178.879 176.870 -0.032 0.000 1.085 379 L CA 2.725 57.563 54.840 -0.003 0.000 0.755 379 L CB -0.098 41.968 42.059 0.011 0.000 0.904 379 L HN -0.270 7.891 8.230 0.013 0.077 0.435 380 L N -1.386 119.812 121.223 -0.042 0.000 2.042 380 L HA -0.557 nan 4.340 nan 0.000 0.210 380 L C 2.314 179.140 176.870 -0.073 0.000 1.076 380 L CA 3.454 58.256 54.840 -0.063 0.000 0.749 380 L CB -0.687 41.333 42.059 -0.065 0.000 0.893 380 L HN 0.295 8.430 8.230 -0.030 0.077 0.432 381 Q N -0.778 118.977 119.800 -0.074 0.000 2.061 381 Q HA -0.401 nan 4.340 nan 0.000 0.204 381 Q C 2.486 178.448 176.000 -0.063 0.000 0.984 381 Q CA 3.318 59.069 55.803 -0.085 0.000 0.846 381 Q CB -0.054 28.635 28.738 -0.082 0.000 0.902 381 Q HN 0.241 8.471 8.270 -0.064 0.002 0.421 382 A N -0.979 121.815 122.820 -0.044 0.000 1.930 382 A HA -0.211 nan 4.320 nan 0.000 0.217 382 A C 1.711 179.280 177.584 -0.025 0.000 1.175 382 A CA 2.537 54.557 52.037 -0.028 0.000 0.627 382 A CB -0.212 18.782 19.000 -0.010 0.000 0.815 382 A HN -0.398 7.650 8.150 -0.039 0.078 0.443 383 L N -2.690 118.511 121.223 -0.037 0.000 2.221 383 L HA 0.044 nan 4.340 nan 0.000 0.202 383 L C 1.395 178.229 176.870 -0.060 0.000 1.074 383 L CA 1.842 56.651 54.840 -0.052 0.000 0.795 383 L CB 0.603 42.608 42.059 -0.089 0.000 0.960 383 L HN 0.321 8.332 8.230 -0.044 0.193 0.458 384 A N -4.750 118.031 122.820 -0.066 0.000 2.465 384 A HA 0.369 nan 4.320 nan 0.000 0.255 384 A C 0.004 177.548 177.584 -0.067 0.000 1.274 384 A CA -0.617 51.382 52.037 -0.065 0.000 0.920 384 A CB 0.483 19.441 19.000 -0.070 0.000 1.033 384 A HN 0.211 8.209 8.150 -0.069 0.110 0.516 385 G N -1.757 107.003 108.800 -0.067 0.000 2.390 385 G HA2 -0.429 nan 3.960 nan 0.000 0.299 385 G HA3 -0.429 nan 3.960 nan 0.000 0.299 385 G C -0.786 174.048 174.900 -0.111 0.000 1.002 385 G CA 0.421 45.475 45.100 -0.075 0.000 0.979 385 G HN -0.418 7.768 8.290 -0.061 0.067 0.513 386 A N 0.076 122.813 122.820 -0.138 0.000 2.332 386 A HA 0.095 nan 4.320 nan 0.000 0.258 386 A C -1.032 176.364 177.584 -0.312 0.000 1.087 386 A CA -0.048 51.859 52.037 -0.217 0.000 0.802 386 A CB 1.341 20.218 19.000 -0.204 0.000 1.042 386 A HN -0.809 7.265 8.150 -0.117 0.005 0.489 387 R N 0.172 120.335 120.500 -0.561 0.000 2.346 387 R HA 0.573 nan 4.340 nan 0.000 0.311 387 R C -1.206 174.532 176.300 -0.938 0.000 0.983 387 R CA -1.022 54.624 56.100 -0.757 0.000 0.880 387 R CB 1.991 31.657 30.300 -1.058 0.000 1.100 387 R HN 0.582 8.370 8.270 -0.627 0.106 0.453 388 V N 3.169 122.777 119.914 -0.510 0.000 2.555 388 V HA 0.662 nan 4.120 nan 0.000 0.302 388 V C -1.341 174.699 176.094 -0.090 0.000 1.038 388 V CA -1.741 60.382 62.300 -0.295 0.000 0.887 388 V CB 3.201 34.935 31.823 -0.148 0.000 0.991 388 V HN 0.467 8.449 8.190 -0.347 0.000 0.434 389 A N 5.095 127.975 122.820 0.100 0.000 2.351 389 A HA 0.225 nan 4.320 nan 0.000 0.257 389 A C -0.350 177.318 177.584 0.140 0.000 1.087 389 A CA -0.409 51.776 52.037 0.246 0.000 0.798 389 A CB 0.724 20.002 19.000 0.464 0.000 1.033 389 A HN 0.221 8.428 8.150 0.095 0.000 0.488 390 E N 2.242 122.511 120.200 0.115 0.000 2.028 390 E HA -0.224 nan 4.350 nan 0.000 0.190 390 E C 0.007 176.652 176.600 0.076 0.000 0.984 390 E CA 2.345 58.790 56.400 0.076 0.000 0.800 390 E CB 0.469 30.206 29.700 0.061 0.000 0.758 390 E HN -0.078 8.360 8.360 0.131 0.000 0.448 391 A N -1.212 121.655 122.820 0.078 0.000 2.386 391 A HA 0.023 nan 4.320 nan 0.000 0.248 391 A C -1.549 176.083 177.584 0.080 0.000 1.082 391 A CA 0.124 52.199 52.037 0.063 0.000 0.789 391 A CB 0.590 19.613 19.000 0.039 0.000 1.025 391 A HN 0.027 8.228 8.150 0.085 0.000 0.490 392 L N -1.402 119.864 121.223 0.071 0.000 2.319 392 L HA 0.548 nan 4.340 nan 0.000 0.267 392 L C -0.553 176.364 176.870 0.079 0.000 1.011 392 L CA -1.827 53.067 54.840 0.090 0.000 0.818 392 L CB 2.871 44.975 42.059 0.076 0.000 1.316 392 L HN -0.101 8.165 8.230 0.060 0.000 0.432 393 L N 2.019 123.308 121.223 0.110 0.000 2.264 393 L HA 0.253 nan 4.340 nan 0.000 0.289 393 L C -1.606 175.342 176.870 0.131 0.000 1.044 393 L CA -1.119 53.788 54.840 0.113 0.000 0.807 393 L CB 0.642 42.794 42.059 0.154 0.000 1.192 393 L HN 0.488 8.810 8.230 0.152 0.000 0.425 394 E N 5.018 125.283 120.200 0.109 0.000 2.210 394 E HA 0.541 nan 4.350 nan 0.000 0.266 394 E C -1.738 174.945 176.600 0.138 0.000 0.883 394 E CA -1.728 54.737 56.400 0.109 0.000 0.761 394 E CB 3.125 32.888 29.700 0.104 0.000 1.156 394 E HN 0.248 8.664 8.360 0.094 0.000 0.412 395 A N 5.551 128.473 122.820 0.169 0.000 2.343 395 A HA 0.516 nan 4.320 nan 0.000 0.316 395 A C -1.659 176.073 177.584 0.248 0.000 1.104 395 A CA -1.126 51.014 52.037 0.172 0.000 0.768 395 A CB 2.524 21.620 19.000 0.159 0.000 1.213 395 A HN 1.083 9.223 8.150 0.155 0.103 0.456 396 G N 1.569 110.485 108.800 0.193 0.000 2.662 396 G HA2 -0.247 nan 3.960 nan 0.000 0.686 396 G HA3 -0.247 nan 3.960 nan 0.000 0.686 396 G C -1.532 173.441 174.900 0.121 0.000 1.271 396 G CA -0.128 45.083 45.100 0.185 0.000 0.816 396 G HN -0.010 8.361 8.290 0.134 0.000 0.608 397 S N -0.009 115.680 115.700 -0.018 0.000 2.387 397 S HA 0.236 nan 4.470 nan 0.000 0.211 397 S C -2.599 171.920 174.600 -0.135 0.000 1.055 397 S CA -1.543 56.604 58.200 -0.088 0.000 1.133 397 S CB 1.051 64.239 63.200 -0.019 0.000 1.235 397 S HN 0.317 8.617 8.310 -0.015 0.000 0.425 398 P HA 0.187 nan 4.420 nan 0.000 0.282 398 P C -1.539 175.698 177.300 -0.105 0.000 1.249 398 P CA -0.669 62.334 63.100 -0.161 0.000 0.806 398 P CB 0.797 32.375 31.700 -0.204 0.000 0.984 399 K N 3.000 123.363 120.400 -0.061 0.000 2.298 399 K HA 0.206 nan 4.320 nan 0.000 0.280 399 K C -1.518 175.061 176.600 -0.035 0.000 1.032 399 K CA -1.950 54.314 56.287 -0.038 0.000 0.958 399 K CB -0.789 31.698 32.500 -0.022 0.000 0.978 399 K HN 0.142 8.362 8.250 -0.051 0.000 0.472 400 P HA 0.137 nan 4.420 nan 0.000 0.271 400 P C -2.023 175.270 177.300 -0.013 0.000 1.244 400 P CA -0.880 62.209 63.100 -0.018 0.000 0.793 400 P CB -0.363 31.330 31.700 -0.011 0.000 0.984 401 P HA 0.016 nan 4.420 nan 0.000 0.272 401 P C -1.800 175.497 177.300 -0.006 0.000 1.223 401 P CA -0.298 62.795 63.100 -0.012 0.000 0.784 401 P CB 1.021 32.708 31.700 -0.021 0.000 0.923 402 E N 1.336 121.535 120.200 -0.002 0.000 2.313 402 E HA -0.050 nan 4.350 nan 0.000 0.272 402 E C -0.941 175.665 176.600 0.009 0.000 1.038 402 E CA -0.844 55.559 56.400 0.004 0.000 0.863 402 E CB 0.977 30.681 29.700 0.007 0.000 1.060 402 E HN -0.031 8.327 8.360 -0.003 0.000 0.402 403 A N 2.785 125.614 122.820 0.016 0.000 2.462 403 A HA 0.051 nan 4.320 nan 0.000 0.243 403 A C -0.426 177.180 177.584 0.037 0.000 1.076 403 A CA 0.108 52.161 52.037 0.026 0.000 0.773 403 A CB 0.728 19.748 19.000 0.034 0.000 1.010 403 A HN 0.183 8.342 8.150 0.016 0.000 0.493 404 I N 0.487 121.087 120.570 0.050 0.000 2.433 404 I HA 0.408 nan 4.170 nan 0.000 0.292 404 I C -2.174 174.016 176.117 0.121 0.000 1.001 404 I CA -3.736 57.607 61.300 0.073 0.000 1.119 404 I CB 2.288 40.326 38.000 0.063 0.000 1.289 404 I HN 0.722 8.834 8.210 0.047 0.126 0.438 405 P HA 0.405 nan 4.420 nan 0.000 0.286 405 P C -1.865 175.599 177.300 0.274 0.000 1.269 405 P CA -0.868 62.331 63.100 0.165 0.000 0.787 405 P CB 0.268 32.022 31.700 0.090 0.000 0.920 406 F N 5.887 125.921 119.950 0.139 0.000 2.518 406 F HA 0.271 nan 4.527 nan 0.000 0.323 406 F C -2.453 173.485 175.800 0.229 0.000 1.129 406 F CA -1.704 56.394 58.000 0.165 0.000 0.920 406 F CB 4.240 43.316 39.000 0.126 0.000 1.160 406 F HN 0.839 9.251 8.300 0.389 0.121 0.440 407 R N 7.262 127.542 120.500 -0.366 0.000 2.320 407 R HA 0.529 nan 4.340 nan 0.000 0.319 407 R C -2.121 173.846 176.300 -0.555 0.000 0.969 407 R CA -2.692 53.253 56.100 -0.259 0.000 0.857 407 R CB -0.259 30.003 30.300 -0.065 0.000 1.160 407 R HN 0.392 8.705 8.270 -0.353 -0.255 0.491 408 P HA -0.373 nan 4.420 nan 0.000 0.216 408 P C 0.477 177.681 177.300 -0.159 0.000 1.150 408 P CA 3.195 66.084 63.100 -0.351 0.000 0.843 408 P CB -0.009 31.663 31.700 -0.046 0.000 0.787 409 E N -2.325 117.831 120.200 -0.074 0.000 2.058 409 E HA -0.407 nan 4.350 nan 0.000 0.194 409 E C 1.647 178.248 176.600 0.001 0.000 0.997 409 E CA 3.731 60.121 56.400 -0.016 0.000 0.801 409 E CB -0.532 29.175 29.700 0.011 0.000 0.746 409 E HN 0.322 8.636 8.360 -0.059 0.011 0.450 410 Y N 0.364 120.585 120.300 -0.131 0.000 2.293 410 Y HA -0.333 nan 4.550 nan 0.000 0.291 410 Y C 1.091 176.941 175.900 -0.083 0.000 1.137 410 Y CA 1.934 59.973 58.100 -0.101 0.000 1.202 410 Y CB -0.410 37.986 38.460 -0.105 0.000 0.990 410 Y HN -0.864 7.372 8.280 0.066 0.084 0.537 411 A N -0.391 122.267 122.820 -0.270 0.000 1.851 411 A HA -0.501 nan 4.320 nan 0.000 0.216 411 A C 2.098 179.575 177.584 -0.178 0.000 1.195 411 A CA 3.349 55.250 52.037 -0.226 0.000 0.622 411 A CB -0.944 18.051 19.000 -0.010 0.000 0.831 411 A HN 0.047 7.951 8.150 -0.226 0.110 0.444 412 N N -1.960 116.680 118.700 -0.100 0.000 2.149 412 N HA -0.310 nan 4.740 nan 0.000 0.188 412 N C 2.390 177.817 175.510 -0.138 0.000 1.019 412 N CA 2.944 55.929 53.050 -0.108 0.000 0.857 412 N CB -0.354 38.084 38.487 -0.081 0.000 0.997 412 N HN -0.246 8.087 8.380 -0.077 0.000 0.426 413 R N -0.294 120.125 120.500 -0.136 0.000 2.115 413 R HA -0.197 nan 4.340 nan 0.000 0.230 413 R C 1.901 178.114 176.300 -0.145 0.000 1.111 413 R CA 2.873 58.913 56.100 -0.099 0.000 0.976 413 R CB -0.017 30.281 30.300 -0.003 0.000 0.870 413 R HN -0.262 7.813 8.270 -0.134 0.115 0.445 414 L N -1.231 119.819 121.223 -0.290 0.000 2.209 414 L HA -0.119 nan 4.340 nan 0.000 0.207 414 L C 0.972 177.738 176.870 -0.173 0.000 1.094 414 L CA 2.717 57.393 54.840 -0.272 0.000 0.790 414 L CB 0.611 42.359 42.059 -0.518 0.000 0.932 414 L HN -0.322 7.552 8.230 -0.407 0.112 0.447 415 L N -3.274 117.851 121.223 -0.164 0.000 2.209 415 L HA 0.027 nan 4.340 nan 0.000 0.207 415 L C 0.631 177.422 176.870 -0.131 0.000 1.094 415 L CA 0.729 55.492 54.840 -0.129 0.000 0.790 415 L CB 0.704 42.714 42.059 -0.080 0.000 0.932 415 L HN -0.200 7.917 8.230 -0.188 0.000 0.447 416 G N -2.746 105.972 108.800 -0.137 0.000 2.132 416 G HA2 -0.309 nan 3.960 nan 0.000 0.228 416 G HA3 -0.309 nan 3.960 nan 0.000 0.228 416 G C -0.561 174.238 174.900 -0.169 0.000 1.000 416 G CA 0.027 45.053 45.100 -0.123 0.000 0.693 416 G HN 0.066 8.169 8.290 -0.143 0.101 0.515 417 T N -5.211 109.195 114.554 -0.246 0.000 2.922 417 T HA 0.280 nan 4.350 nan 0.000 0.281 417 T C -1.546 172.929 174.700 -0.374 0.000 1.005 417 T CA -2.666 59.182 62.100 -0.421 0.000 0.982 417 T CB 2.614 70.958 68.868 -0.873 0.000 1.158 417 T HN -0.654 7.431 8.240 -0.221 0.022 0.566 418 S N -1.683 113.750 115.700 -0.444 0.000 2.407 418 S HA 0.211 nan 4.470 nan 0.000 0.166 418 S C -1.248 173.262 174.600 -0.150 0.000 1.445 418 S CA -0.591 57.473 58.200 -0.226 0.000 1.260 418 S CB -0.088 63.036 63.200 -0.126 0.000 1.401 418 S HN -0.155 7.801 8.310 -0.589 0.000 0.379 419 Y N 4.448 124.749 120.300 0.001 0.000 2.377 419 Y HA 0.053 nan 4.550 nan 0.000 0.330 419 Y C -1.604 174.305 175.900 0.014 0.000 1.108 419 Y CA -1.856 56.250 58.100 0.010 0.000 1.308 419 Y CB -0.872 37.600 38.460 0.021 0.000 1.216 419 Y HN -0.261 8.159 8.280 -0.318 -0.330 0.518 420 P HA -0.045 nan 4.420 nan 0.000 0.268 420 P C 0.138 177.498 177.300 0.101 0.000 1.205 420 P CA -0.581 62.581 63.100 0.104 0.000 0.771 420 P CB 0.876 32.622 31.700 0.077 0.000 0.858 421 E N 5.023 125.275 120.200 0.086 0.000 2.082 421 E HA -0.462 nan 4.350 nan 0.000 0.215 421 E C 1.917 178.548 176.600 0.051 0.000 1.048 421 E CA 4.423 60.873 56.400 0.083 0.000 0.869 421 E CB -0.241 29.525 29.700 0.109 0.000 0.773 421 E HN 0.564 8.972 8.360 0.079 0.000 0.466 422 A N -2.757 120.092 122.820 0.048 0.000 1.892 422 A HA -0.244 nan 4.320 nan 0.000 0.218 422 A C 2.299 179.887 177.584 0.006 0.000 1.188 422 A CA 2.880 54.932 52.037 0.025 0.000 0.631 422 A CB -1.096 17.924 19.000 0.033 0.000 0.822 422 A HN 0.202 8.388 8.150 0.061 0.000 0.447 423 E N -1.430 118.782 120.200 0.020 0.000 2.153 423 E HA -0.372 nan 4.350 nan 0.000 0.194 423 E C 2.516 179.100 176.600 -0.026 0.000 0.988 423 E CA 2.849 59.248 56.400 -0.001 0.000 0.811 423 E CB -0.290 29.424 29.700 0.022 0.000 0.746 423 E HN -0.367 7.940 8.360 0.040 0.078 0.466 424 Q N -0.978 118.828 119.800 0.011 0.000 2.046 424 Q HA -0.264 nan 4.340 nan 0.000 0.200 424 Q C 2.768 178.744 176.000 -0.040 0.000 0.975 424 Q CA 3.146 58.961 55.803 0.020 0.000 0.836 424 Q CB 0.248 29.093 28.738 0.177 0.000 0.896 424 Q HN -0.434 7.754 8.270 0.046 0.110 0.428 425 I N -0.604 119.930 120.570 -0.060 0.000 2.361 425 I HA -0.477 nan 4.170 nan 0.000 0.251 425 I C 1.679 177.731 176.117 -0.108 0.000 1.133 425 I CA 3.500 64.715 61.300 -0.141 0.000 1.413 425 I CB -0.360 37.514 38.000 -0.211 0.000 1.073 425 I HN -0.191 7.997 8.210 -0.036 0.000 0.424 426 A N -0.057 122.718 122.820 -0.074 0.000 1.969 426 A HA -0.237 nan 4.320 nan 0.000 0.218 426 A C 1.834 179.371 177.584 -0.079 0.000 1.169 426 A CA 3.575 55.575 52.037 -0.062 0.000 0.635 426 A CB -1.038 17.934 19.000 -0.047 0.000 0.810 426 A HN -0.134 7.966 8.150 -0.060 0.013 0.445 427 I N -0.624 119.887 120.570 -0.098 0.000 2.113 427 I HA -0.456 nan 4.170 nan 0.000 0.238 427 I C 1.960 178.008 176.117 -0.115 0.000 1.070 427 I CA 2.604 63.837 61.300 -0.110 0.000 1.332 427 I CB -1.092 36.828 38.000 -0.133 0.000 1.044 427 I HN -0.884 7.165 8.210 -0.096 0.104 0.402 428 L N -1.425 119.703 121.223 -0.158 0.000 2.051 428 L HA -0.557 nan 4.340 nan 0.000 0.214 428 L C 2.218 179.022 176.870 -0.110 0.000 1.076 428 L CA 3.602 58.332 54.840 -0.183 0.000 0.758 428 L CB -0.890 40.996 42.059 -0.288 0.000 0.890 428 L HN -0.224 7.902 8.230 -0.174 0.000 0.433 429 K N -1.963 118.387 120.400 -0.084 0.000 2.057 429 K HA -0.310 nan 4.320 nan 0.000 0.206 429 K C 3.219 179.817 176.600 -0.004 0.000 1.050 429 K CA 3.268 59.532 56.287 -0.038 0.000 0.935 429 K CB -0.400 32.083 32.500 -0.029 0.000 0.715 429 K HN -0.146 7.970 8.250 -0.097 0.076 0.439 430 R N -0.021 120.471 120.500 -0.013 0.000 2.127 430 R HA -0.271 nan 4.340 nan 0.000 0.238 430 R C 2.280 178.629 176.300 0.081 0.000 1.134 430 R CA 3.076 59.189 56.100 0.021 0.000 0.975 430 R CB -0.090 30.165 30.300 -0.075 0.000 0.865 430 R HN -0.045 8.199 8.270 -0.043 0.000 0.447 431 L N -5.123 116.115 121.223 0.024 0.000 2.551 431 L HA -0.257 nan 4.340 nan 0.000 0.228 431 L C -0.203 176.696 176.870 0.049 0.000 1.153 431 L CA 0.947 55.809 54.840 0.037 0.000 0.851 431 L CB 0.063 42.107 42.059 -0.025 0.000 0.959 431 L HN -0.366 7.741 8.230 -0.021 0.110 0.451 432 G N -3.221 105.606 108.800 0.045 0.000 2.195 432 G HA2 -0.285 nan 3.960 nan 0.000 0.224 432 G HA3 -0.285 nan 3.960 nan 0.000 0.224 432 G C 0.007 174.910 174.900 0.004 0.000 0.990 432 G CA -0.311 44.815 45.100 0.044 0.000 0.639 432 G HN -0.346 7.772 8.290 0.039 0.195 0.514 433 C N 0.256 119.538 119.300 -0.031 0.000 2.657 433 C HA 0.067 nan 4.460 nan 0.000 0.404 433 C C -0.220 174.753 174.990 -0.027 0.000 1.291 433 C CA 0.251 59.241 59.018 -0.048 0.000 2.218 433 C CB 0.086 27.771 27.740 -0.092 0.000 2.687 433 C HN -0.369 7.837 8.230 -0.040 0.000 0.634 434 R N 3.018 123.509 120.500 -0.015 0.000 2.265 434 R HA 0.331 nan 4.340 nan 0.000 0.328 434 R C -1.747 174.562 176.300 0.015 0.000 0.969 434 R CA -0.705 55.398 56.100 0.005 0.000 0.832 434 R CB 1.830 32.138 30.300 0.013 0.000 1.139 434 R HN 0.201 8.460 8.270 -0.018 0.000 0.457 435 V N 6.803 126.732 119.914 0.025 0.000 2.394 435 V HA 0.411 nan 4.120 nan 0.000 0.282 435 V C -0.839 175.327 176.094 0.121 0.000 1.031 435 V CA -0.898 61.442 62.300 0.065 0.000 0.881 435 V CB 0.162 31.996 31.823 0.017 0.000 0.982 435 V HN 0.522 8.723 8.190 0.018 0.000 0.451 436 E N 6.421 126.717 120.200 0.160 0.000 2.238 436 E HA 0.419 nan 4.350 nan 0.000 0.267 436 E C -1.049 175.653 176.600 0.170 0.000 0.887 436 E CA -1.392 55.090 56.400 0.137 0.000 0.769 436 E CB 3.999 33.749 29.700 0.084 0.000 1.187 436 E HN 0.910 9.264 8.360 0.175 0.112 0.416 437 G N 3.194 112.056 108.800 0.104 0.000 2.440 437 G HA2 -0.227 nan 3.960 nan 0.000 0.684 437 G HA3 -0.227 nan 3.960 nan 0.000 0.684 437 G C -1.020 173.857 174.900 -0.039 0.000 1.309 437 G CA -0.332 44.758 45.100 -0.017 0.000 0.931 437 G HN 0.368 8.715 8.290 0.096 0.000 0.612 438 E N -1.771 118.314 120.200 -0.191 0.000 2.511 438 E HA 0.079 nan 4.350 nan 0.000 0.209 438 E C -0.025 176.375 176.600 -0.334 0.000 0.986 438 E CA -0.822 55.505 56.400 -0.120 0.000 0.974 438 E CB 0.565 30.233 29.700 -0.053 0.000 1.030 438 E HN 0.342 8.572 8.360 -0.216 0.000 0.490 439 G N 1.335 109.634 108.800 -0.835 0.000 2.555 439 G HA2 -0.187 nan 3.960 nan 0.000 0.686 439 G HA3 -0.187 nan 3.960 nan 0.000 0.686 439 G C -1.545 173.146 174.900 -0.348 0.000 1.275 439 G CA -0.624 43.975 45.100 -0.835 0.000 0.871 439 G HN -0.570 7.225 8.290 -0.824 0.000 0.603 440 P HA 0.008 nan 4.420 nan 0.000 0.231 440 P C -1.049 176.197 177.300 -0.090 0.000 1.168 440 P CA 0.556 63.594 63.100 -0.104 0.000 0.779 440 P CB 0.794 32.470 31.700 -0.040 0.000 0.844 441 T N -0.489 113.964 114.554 -0.168 0.000 2.821 441 T HA 0.117 nan 4.350 nan 0.000 0.307 441 T C -0.694 173.955 174.700 -0.086 0.000 1.034 441 T CA -1.405 60.668 62.100 -0.046 0.000 0.953 441 T CB -0.049 68.802 68.868 -0.028 0.000 0.968 441 T HN -0.767 7.296 8.240 -0.215 0.048 0.462 442 Y N 7.792 128.149 120.300 0.095 0.000 2.326 442 Y HA 0.251 nan 4.550 nan 0.000 0.324 442 Y C -0.118 175.857 175.900 0.125 0.000 1.291 442 Y CA -0.846 57.329 58.100 0.124 0.000 1.348 442 Y CB 1.848 40.423 38.460 0.191 0.000 1.294 442 Y HN 0.951 9.469 8.280 0.547 0.089 0.525 443 R N 0.238 120.894 120.500 0.260 0.000 2.272 443 R HA 0.484 nan 4.340 nan 0.000 0.323 443 R C -1.762 174.630 176.300 0.152 0.000 1.002 443 R CA -1.502 54.695 56.100 0.161 0.000 0.900 443 R CB -0.470 29.887 30.300 0.096 0.000 1.151 443 R HN 0.801 9.235 8.270 0.273 0.000 0.507 444 V N 6.950 126.943 119.914 0.132 0.000 2.347 444 V HA 0.518 nan 4.120 nan 0.000 0.280 444 V C -1.494 174.612 176.094 0.020 0.000 1.021 444 V CA -1.120 61.211 62.300 0.052 0.000 0.847 444 V CB 1.141 32.954 31.823 -0.016 0.000 0.990 444 V HN 1.057 9.249 8.190 0.159 0.093 0.444 445 T N 8.610 123.168 114.554 0.007 0.000 2.756 445 T HA 0.626 nan 4.350 nan 0.000 0.290 445 T C -2.335 172.347 174.700 -0.029 0.000 0.985 445 T CA -3.343 58.755 62.100 -0.004 0.000 0.955 445 T CB 1.381 70.253 68.868 0.007 0.000 0.930 445 T HN 0.782 9.028 8.240 0.010 0.000 0.451 446 P HA 0.284 nan 4.420 nan 0.000 0.270 446 P C -1.821 175.430 177.300 -0.082 0.000 1.223 446 P CA -1.591 61.462 63.100 -0.078 0.000 0.785 446 P CB -0.854 30.796 31.700 -0.084 0.000 0.923 447 P HA 0.080 nan 4.420 nan 0.000 0.272 447 P C 1.214 178.440 177.300 -0.123 0.000 1.240 447 P CA -0.442 62.589 63.100 -0.115 0.000 0.791 447 P CB 0.561 32.127 31.700 -0.224 0.000 0.978 448 S N 1.321 117.016 115.700 -0.009 0.000 2.474 448 S HA -0.260 nan 4.470 nan 0.000 0.235 448 S C 0.192 174.802 174.600 0.017 0.000 0.997 448 S CA 3.098 61.302 58.200 0.007 0.000 0.949 448 S CB -0.415 62.809 63.200 0.040 0.000 0.766 448 S HN 0.447 8.789 8.310 0.054 0.000 0.517 449 H N -3.355 115.704 119.070 -0.019 0.000 2.539 449 H HA 0.171 nan 4.556 nan 0.000 0.269 449 H C -0.019 175.297 175.328 -0.020 0.000 0.980 449 H CA 0.116 56.150 56.048 -0.024 0.000 1.152 449 H CB -0.237 29.502 29.762 -0.039 0.000 1.407 449 H HN -0.418 7.819 8.280 0.014 0.051 0.564 450 R N 1.658 121.951 120.500 -0.345 0.000 2.471 450 R HA 0.279 nan 4.340 nan 0.000 0.292 450 R C -0.080 176.155 176.300 -0.108 0.000 1.192 450 R CA -2.270 53.693 56.100 -0.228 0.000 1.257 450 R CB -1.562 28.563 30.300 -0.293 0.000 1.130 450 R HN -0.676 7.319 8.270 -0.366 0.056 0.558 451 L N 0.986 122.180 121.223 -0.049 0.000 2.376 451 L HA -0.273 nan 4.340 nan 0.000 0.219 451 L C 0.047 176.907 176.870 -0.016 0.000 1.133 451 L CA 2.135 56.963 54.840 -0.021 0.000 0.816 451 L CB -0.462 41.598 42.059 0.002 0.000 0.933 451 L HN -0.080 8.129 8.230 -0.036 0.000 0.449 452 D N -4.388 115.999 120.400 -0.021 0.000 2.355 452 D HA -0.200 nan 4.640 nan 0.000 0.218 452 D C -0.266 176.024 176.300 -0.017 0.000 1.004 452 D CA 0.420 54.413 54.000 -0.012 0.000 0.880 452 D CB -0.300 40.495 40.800 -0.008 0.000 0.911 452 D HN -0.079 8.224 8.370 -0.030 0.050 0.528 453 L N 0.172 121.374 121.223 -0.034 0.000 2.288 453 L HA 0.117 nan 4.340 nan 0.000 0.283 453 L C -0.271 176.588 176.870 -0.018 0.000 1.072 453 L CA -0.103 54.717 54.840 -0.033 0.000 0.862 453 L CB -0.588 41.432 42.059 -0.065 0.000 1.245 453 L HN -0.750 7.404 8.230 -0.049 0.047 0.432 454 R N 3.199 123.701 120.500 0.003 0.000 2.444 454 R HA 0.249 nan 4.340 nan 0.000 0.201 454 R C -0.248 176.070 176.300 0.031 0.000 0.861 454 R CA -0.158 55.950 56.100 0.013 0.000 1.034 454 R CB 1.996 32.304 30.300 0.014 0.000 1.347 454 R HN -0.059 8.439 8.270 0.009 -0.223 0.659 455 L N -0.795 120.455 121.223 0.044 0.000 2.376 455 L HA 0.461 nan 4.340 nan 0.000 0.267 455 L C 0.407 177.341 176.870 0.107 0.000 1.035 455 L CA -1.991 52.890 54.840 0.069 0.000 0.800 455 L CB 1.314 43.415 42.059 0.070 0.000 1.290 455 L HN -0.258 8.351 8.230 0.039 -0.357 0.462 456 E N 0.547 120.839 120.200 0.153 0.000 2.106 456 E HA -0.353 nan 4.350 nan 0.000 0.192 456 E C 1.760 178.532 176.600 0.286 0.000 0.984 456 E CA 3.361 59.917 56.400 0.260 0.000 0.806 456 E CB 0.126 29.995 29.700 0.282 0.000 0.750 456 E HN 0.540 8.976 8.360 0.127 0.000 0.458 457 E N -0.722 119.619 120.200 0.234 0.000 2.085 457 E HA -0.279 nan 4.350 nan 0.000 0.194 457 E C 1.874 178.551 176.600 0.127 0.000 0.994 457 E CA 3.580 60.092 56.400 0.186 0.000 0.801 457 E CB -1.175 28.613 29.700 0.147 0.000 0.743 457 E HN 0.383 8.838 8.360 0.203 0.026 0.453 458 D N -1.406 119.052 120.400 0.097 0.000 2.133 458 D HA -0.279 nan 4.640 nan 0.000 0.195 458 D C 2.336 178.659 176.300 0.039 0.000 0.997 458 D CA 3.257 57.290 54.000 0.054 0.000 0.840 458 D CB -0.629 40.190 40.800 0.032 0.000 0.947 458 D HN 0.165 8.595 8.370 0.101 0.000 0.452 459 L N -1.984 119.270 121.223 0.051 0.000 2.093 459 L HA -0.141 nan 4.340 nan 0.000 0.208 459 L C 2.365 179.262 176.870 0.046 0.000 1.085 459 L CA 2.324 57.140 54.840 -0.039 0.000 0.755 459 L CB -0.634 41.335 42.059 -0.149 0.000 0.904 459 L HN -0.630 7.565 8.230 0.095 0.092 0.435 460 V N -0.047 119.991 119.914 0.207 0.000 2.626 460 V HA -0.409 nan 4.120 nan 0.000 0.252 460 V C 1.342 177.506 176.094 0.116 0.000 1.067 460 V CA 3.933 66.362 62.300 0.214 0.000 1.081 460 V CB -0.531 31.375 31.823 0.138 0.000 0.686 460 V HN -0.030 8.192 8.190 0.226 0.103 0.468 461 E N -0.277 119.975 120.200 0.088 0.000 2.150 461 E HA -0.351 nan 4.350 nan 0.000 0.193 461 E C 1.673 178.318 176.600 0.076 0.000 0.985 461 E CA 3.926 60.386 56.400 0.099 0.000 0.814 461 E CB -0.349 29.403 29.700 0.087 0.000 0.752 461 E HN 0.226 8.625 8.360 0.086 0.012 0.466 462 E N -1.374 118.835 120.200 0.015 0.000 2.072 462 E HA -0.255 nan 4.350 nan 0.000 0.191 462 E C 2.539 179.113 176.600 -0.043 0.000 0.985 462 E CA 2.755 59.135 56.400 -0.034 0.000 0.801 462 E CB -0.587 29.060 29.700 -0.088 0.000 0.750 462 E HN -0.717 7.518 8.360 0.010 0.131 0.452 463 V N -0.192 119.701 119.914 -0.035 0.000 2.343 463 V HA -0.348 nan 4.120 nan 0.000 0.247 463 V C 1.890 177.925 176.094 -0.099 0.000 1.051 463 V CA 4.310 66.561 62.300 -0.082 0.000 1.036 463 V CB -1.129 30.703 31.823 0.015 0.000 0.654 463 V HN -0.399 7.787 8.190 -0.007 0.000 0.451 464 A N -0.683 122.172 122.820 0.059 0.000 1.855 464 A HA -0.271 nan 4.320 nan 0.000 0.215 464 A C 1.952 179.670 177.584 0.223 0.000 1.191 464 A CA 3.445 55.594 52.037 0.188 0.000 0.613 464 A CB -0.480 18.678 19.000 0.263 0.000 0.829 464 A HN -0.080 8.041 8.150 0.090 0.082 0.442 465 R N -2.828 117.757 120.500 0.140 0.000 2.148 465 R HA -0.194 nan 4.340 nan 0.000 0.227 465 R C 2.020 178.281 176.300 -0.065 0.000 1.103 465 R CA 2.642 58.705 56.100 -0.061 0.000 0.983 465 R CB -0.211 29.984 30.300 -0.176 0.000 0.874 465 R HN 0.035 8.386 8.270 0.135 0.000 0.451 466 I N -1.413 119.122 120.570 -0.058 0.000 2.500 466 I HA -0.119 nan 4.170 nan 0.000 0.252 466 I C 1.566 177.632 176.117 -0.085 0.000 1.142 466 I CA 1.157 62.415 61.300 -0.071 0.000 1.451 466 I CB -0.735 37.213 38.000 -0.085 0.000 1.093 466 I HN -0.227 7.950 8.210 -0.054 0.000 0.430 467 Q N -2.337 117.386 119.800 -0.128 0.000 2.187 467 Q HA -0.039 nan 4.340 nan 0.000 0.199 467 Q C 1.049 177.049 176.000 -0.000 0.000 0.957 467 Q CA 0.931 56.645 55.803 -0.149 0.000 0.857 467 Q CB 1.140 29.611 28.738 -0.444 0.000 0.929 467 Q HN -0.175 8.009 8.270 -0.144 0.000 0.453 468 G N -1.516 107.319 108.800 0.059 0.000 3.055 468 G HA2 -0.162 nan 3.960 nan 0.000 0.685 468 G HA3 -0.162 nan 3.960 nan 0.000 0.685 468 G C -0.585 174.475 174.900 0.266 0.000 1.212 468 G CA -0.644 44.521 45.100 0.109 0.000 0.822 468 G HN 0.191 8.384 8.290 0.048 0.126 0.610 469 Y N 4.059 124.376 120.300 0.027 0.000 2.403 469 Y HA -0.443 nan 4.550 nan 0.000 0.291 469 Y C 1.438 177.361 175.900 0.038 0.000 1.143 469 Y CA 1.776 59.897 58.100 0.034 0.000 1.257 469 Y CB -0.483 37.984 38.460 0.013 0.000 0.984 469 Y HN 0.609 9.017 8.280 0.215 0.000 0.550 470 E N -2.798 117.520 120.200 0.196 0.000 2.204 470 E HA -0.292 nan 4.350 nan 0.000 0.195 470 E C 1.162 177.820 176.600 0.097 0.000 0.990 470 E CA 2.297 58.766 56.400 0.114 0.000 0.821 470 E CB -1.221 28.529 29.700 0.082 0.000 0.750 470 E HN 0.172 8.606 8.360 0.192 0.041 0.477 471 T N -4.381 110.252 114.554 0.133 0.000 3.085 471 T HA -0.098 nan 4.350 nan 0.000 0.263 471 T C 0.584 175.332 174.700 0.081 0.000 1.127 471 T CA 0.485 62.664 62.100 0.132 0.000 1.103 471 T CB 0.116 69.125 68.868 0.234 0.000 0.921 471 T HN -0.450 7.743 8.240 0.168 0.148 0.510 472 I N 3.909 124.515 120.570 0.061 0.000 2.452 472 I HA 0.221 nan 4.170 nan 0.000 0.287 472 I C -0.731 175.364 176.117 -0.036 0.000 1.079 472 I CA -1.953 59.333 61.300 -0.024 0.000 1.387 472 I CB -0.006 37.955 38.000 -0.064 0.000 1.404 472 I HN -0.652 7.446 8.210 0.089 0.165 0.522 473 P HA 0.088 nan 4.420 nan 0.000 0.274 473 P C -1.579 175.693 177.300 -0.047 0.000 1.246 473 P CA -0.457 62.614 63.100 -0.049 0.000 0.795 473 P CB 0.729 32.392 31.700 -0.062 0.000 1.006 474 L N -0.252 120.949 121.223 -0.036 0.000 2.375 474 L HA 0.154 nan 4.340 nan 0.000 0.271 474 L C -0.141 176.706 176.870 -0.038 0.000 1.107 474 L CA 0.127 54.946 54.840 -0.035 0.000 0.806 474 L CB 0.066 42.109 42.059 -0.027 0.000 1.146 474 L HN 0.089 8.300 8.230 -0.031 0.000 0.447 475 A N 3.881 126.678 122.820 -0.039 0.000 2.597 475 A HA 0.250 nan 4.320 nan 0.000 0.292 475 A C -2.000 175.560 177.584 -0.041 0.000 1.057 475 A CA -0.229 51.785 52.037 -0.039 0.000 0.674 475 A CB 1.046 20.021 19.000 -0.040 0.000 1.278 475 A HN 0.014 8.141 8.150 -0.039 0.000 0.416 476 L N 1.434 122.630 121.223 -0.045 0.000 2.386 476 L HA 0.427 nan 4.340 nan 0.000 0.271 476 L C -2.066 174.766 176.870 -0.063 0.000 0.993 476 L CA -1.459 53.346 54.840 -0.058 0.000 0.819 476 L CB 1.489 43.506 42.059 -0.069 0.000 1.294 476 L HN 0.085 8.288 8.230 -0.045 0.000 0.414 477 P HA 0.238 nan 4.420 nan 0.000 0.284 477 P C -1.891 175.297 177.300 -0.187 0.000 1.258 477 P CA -0.420 62.642 63.100 -0.062 0.000 0.824 477 P CB 0.697 32.408 31.700 0.019 0.000 1.038 478 A N 2.638 125.373 122.820 -0.142 0.000 2.353 478 A HA 0.335 nan 4.320 nan 0.000 0.299 478 A C -1.503 175.991 177.584 -0.150 0.000 1.089 478 A CA -0.092 51.796 52.037 -0.248 0.000 0.736 478 A CB 1.282 20.180 19.000 -0.171 0.000 1.195 478 A HN 0.068 8.207 8.150 -0.018 0.000 0.447 479 F N -0.039 119.791 119.950 -0.199 0.000 2.719 479 F HA 0.324 nan 4.527 nan 0.000 0.309 479 F C -2.405 173.250 175.800 -0.243 0.000 1.138 479 F CA -1.862 56.034 58.000 -0.173 0.000 0.943 479 F CB 0.717 39.697 39.000 -0.033 0.000 1.304 479 F HN -0.015 7.862 8.300 -0.705 0.000 0.445 480 F N 2.767 122.919 119.950 0.338 0.000 2.411 480 F HA 0.488 nan 4.527 nan 0.000 0.350 480 F C -1.650 174.336 175.800 0.310 0.000 1.114 480 F CA -1.626 56.505 58.000 0.219 0.000 1.135 480 F CB 0.590 39.660 39.000 0.116 0.000 1.120 480 F HN 0.177 8.772 8.300 0.491 0.000 0.495 481 P HA 0.004 nan 4.420 nan 0.000 0.271 481 P C -1.685 175.725 177.300 0.183 0.000 1.218 481 P CA -0.548 62.742 63.100 0.316 0.000 0.780 481 P CB 1.294 33.145 31.700 0.251 0.000 0.901 482 A N 2.284 125.160 122.820 0.094 0.000 2.498 482 A HA -0.007 nan 4.320 nan 0.000 0.239 482 A C 0.154 177.773 177.584 0.058 0.000 1.068 482 A CA -1.058 51.010 52.037 0.051 0.000 0.766 482 A CB -0.492 18.513 19.000 0.009 0.000 1.003 482 A HN 0.195 8.383 8.150 0.063 0.000 0.497 483 P HA -0.346 nan 4.420 nan 0.000 0.220 483 P C 0.358 177.680 177.300 0.035 0.000 1.155 483 P CA 2.699 65.822 63.100 0.039 0.000 0.880 483 P CB -0.391 31.323 31.700 0.022 0.000 0.790 484 D N -5.328 115.089 120.400 0.028 0.000 2.378 484 D HA -0.166 nan 4.640 nan 0.000 0.222 484 D C 0.920 177.239 176.300 0.031 0.000 0.980 484 D CA 1.941 55.957 54.000 0.026 0.000 0.907 484 D CB -1.200 39.611 40.800 0.019 0.000 0.899 484 D HN 0.381 8.766 8.370 0.024 0.000 0.527 485 N N -1.406 117.318 118.700 0.040 0.000 2.353 485 N HA -0.028 nan 4.740 nan 0.000 0.185 485 N C -0.314 175.225 175.510 0.048 0.000 1.098 485 N CA 0.909 53.986 53.050 0.045 0.000 0.872 485 N CB 0.716 39.238 38.487 0.059 0.000 0.970 485 N HN -0.423 7.920 8.380 0.045 0.064 0.467 486 R N 0.808 121.337 120.500 0.048 0.000 2.491 486 R HA -0.078 nan 4.340 nan 0.000 0.283 486 R C 1.172 177.495 176.300 0.038 0.000 1.072 486 R CA 1.406 57.534 56.100 0.047 0.000 1.048 486 R CB -0.481 29.847 30.300 0.046 0.000 0.983 486 R HN -0.280 7.857 8.270 0.047 0.161 0.450 487 G N 2.446 111.267 108.800 0.036 0.000 2.184 487 G HA2 -0.403 nan 3.960 nan 0.000 0.264 487 G HA3 -0.403 nan 3.960 nan 0.000 0.264 487 G C 0.900 175.822 174.900 0.036 0.000 0.975 487 G CA 0.439 45.559 45.100 0.034 0.000 0.642 487 G HN 0.467 8.779 8.290 0.037 0.000 0.536 488 V N 1.113 121.047 119.914 0.034 0.000 2.794 488 V HA -0.369 nan 4.120 nan 0.000 0.260 488 V C 0.259 176.377 176.094 0.039 0.000 1.103 488 V CA 2.479 64.799 62.300 0.034 0.000 1.125 488 V CB -0.591 31.250 31.823 0.029 0.000 0.702 488 V HN -0.684 7.442 8.190 0.034 0.084 0.494 489 E N -4.007 116.218 120.200 0.042 0.000 2.474 489 E HA 0.007 nan 4.350 nan 0.000 0.195 489 E C 0.957 177.614 176.600 0.095 0.000 1.039 489 E CA 0.044 56.482 56.400 0.063 0.000 0.881 489 E CB -0.384 29.338 29.700 0.037 0.000 0.970 489 E HN -0.345 7.969 8.360 0.037 0.068 0.486 490 A N 1.689 124.550 122.820 0.068 0.000 1.884 490 A HA -0.246 nan 4.320 nan 0.000 0.219 490 A C -0.823 176.803 177.584 0.069 0.000 1.197 490 A CA 4.871 56.944 52.037 0.061 0.000 0.637 490 A CB -2.490 16.536 19.000 0.043 0.000 0.827 490 A HN 0.103 8.286 8.150 0.054 0.000 0.450 491 P HA -0.281 nan 4.420 nan 0.000 0.213 491 P C 0.845 178.194 177.300 0.081 0.000 1.170 491 P CA 3.044 66.183 63.100 0.065 0.000 0.902 491 P CB -0.461 31.281 31.700 0.069 0.000 0.789 492 Y N -2.054 118.249 120.300 0.006 0.000 2.165 492 Y HA -0.412 nan 4.550 nan 0.000 0.286 492 Y C 1.737 177.640 175.900 0.004 0.000 1.155 492 Y CA 3.395 61.499 58.100 0.005 0.000 1.164 492 Y CB -0.022 38.443 38.460 0.008 0.000 0.978 492 Y HN -0.262 8.155 8.280 0.229 0.000 0.513 493 R N -2.015 118.597 120.500 0.186 0.000 2.075 493 R HA -0.460 nan 4.340 nan 0.000 0.232 493 R C 1.990 178.283 176.300 -0.012 0.000 1.126 493 R CA 3.635 59.793 56.100 0.095 0.000 0.963 493 R CB -0.185 30.180 30.300 0.107 0.000 0.858 493 R HN 0.121 8.525 8.270 0.226 0.003 0.435 494 K N -0.289 120.105 120.400 -0.011 0.000 2.063 494 K HA -0.352 nan 4.320 nan 0.000 0.208 494 K C 2.104 178.657 176.600 -0.078 0.000 1.048 494 K CA 3.425 59.691 56.287 -0.035 0.000 0.928 494 K CB -0.251 32.240 32.500 -0.016 0.000 0.713 494 K HN 0.093 8.274 8.250 0.020 0.080 0.442 495 E N -1.328 118.804 120.200 -0.113 0.000 2.150 495 E HA -0.317 nan 4.350 nan 0.000 0.193 495 E C 2.352 178.847 176.600 -0.175 0.000 0.985 495 E CA 2.876 59.189 56.400 -0.144 0.000 0.814 495 E CB -0.087 29.514 29.700 -0.166 0.000 0.752 495 E HN -0.469 7.826 8.360 -0.108 0.000 0.466 496 Q N -0.881 118.776 119.800 -0.239 0.000 2.224 496 Q HA -0.243 nan 4.340 nan 0.000 0.203 496 Q C 2.881 178.819 176.000 -0.103 0.000 0.970 496 Q CA 2.558 58.241 55.803 -0.200 0.000 0.865 496 Q CB -0.364 28.228 28.738 -0.244 0.000 0.922 496 Q HN -0.418 7.683 8.270 -0.283 0.000 0.445 497 R N -0.372 120.074 120.500 -0.090 0.000 2.090 497 R HA -0.182 nan 4.340 nan 0.000 0.228 497 R C 2.246 178.483 176.300 -0.105 0.000 1.110 497 R CA 1.657 57.712 56.100 -0.074 0.000 0.973 497 R CB -0.545 29.720 30.300 -0.058 0.000 0.869 497 R HN -0.362 7.837 8.270 -0.094 0.015 0.440 498 L N 0.566 121.714 121.223 -0.125 0.000 2.012 498 L HA -0.343 nan 4.340 nan 0.000 0.210 498 L C 1.742 178.488 176.870 -0.207 0.000 1.073 498 L CA 3.300 58.036 54.840 -0.173 0.000 0.748 498 L CB -0.394 41.571 42.059 -0.157 0.000 0.891 498 L HN -0.338 7.747 8.230 -0.114 0.077 0.431 499 R N -2.361 118.063 120.500 -0.126 0.000 2.081 499 R HA -0.450 nan 4.340 nan 0.000 0.235 499 R C 2.308 178.543 176.300 -0.108 0.000 1.131 499 R CA 4.102 60.163 56.100 -0.067 0.000 0.960 499 R CB -0.422 29.938 30.300 0.099 0.000 0.856 499 R HN -0.364 7.848 8.270 -0.096 0.000 0.436 500 E N 0.069 120.224 120.200 -0.076 0.000 2.072 500 E HA -0.287 nan 4.350 nan 0.000 0.191 500 E C 2.699 179.241 176.600 -0.096 0.000 0.985 500 E CA 3.151 59.517 56.400 -0.058 0.000 0.801 500 E CB -0.151 29.527 29.700 -0.036 0.000 0.750 500 E HN -0.613 7.633 8.360 -0.070 0.072 0.452 501 V N 0.753 120.585 119.914 -0.137 0.000 2.407 501 V HA -0.343 nan 4.120 nan 0.000 0.248 501 V C 1.913 177.894 176.094 -0.189 0.000 1.055 501 V CA 4.558 66.770 62.300 -0.147 0.000 1.049 501 V CB -0.921 30.797 31.823 -0.176 0.000 0.662 501 V HN 0.482 8.480 8.190 -0.143 0.107 0.455 502 L N -1.701 119.318 121.223 -0.340 0.000 2.017 502 L HA -0.462 nan 4.340 nan 0.000 0.208 502 L C 2.058 178.774 176.870 -0.258 0.000 1.073 502 L CA 3.669 58.196 54.840 -0.521 0.000 0.745 502 L CB -0.398 40.931 42.059 -1.217 0.000 0.894 502 L HN -0.027 7.908 8.230 -0.366 0.075 0.432 503 S N -1.197 114.393 115.700 -0.184 0.000 2.423 503 S HA -0.225 nan 4.470 nan 0.000 0.231 503 S C 2.168 176.784 174.600 0.027 0.000 1.014 503 S CA 3.087 61.305 58.200 0.031 0.000 0.965 503 S CB -0.501 62.757 63.200 0.096 0.000 0.785 503 S HN 0.010 8.178 8.310 -0.237 0.000 0.495 504 G N 2.000 110.795 108.800 -0.010 0.000 2.433 504 G HA2 -0.253 nan 3.960 nan 0.000 0.216 504 G HA3 -0.253 nan 3.960 nan 0.000 0.216 504 G C 0.906 175.824 174.900 0.030 0.000 1.186 504 G CA 1.178 46.281 45.100 0.004 0.000 0.779 504 G HN -0.287 7.863 8.290 -0.050 0.110 0.543 505 L N -0.265 120.990 121.223 0.053 0.000 2.079 505 L HA -0.312 nan 4.340 nan 0.000 0.210 505 L C 0.297 177.218 176.870 0.086 0.000 1.081 505 L CA 2.030 56.944 54.840 0.124 0.000 0.752 505 L CB 0.483 42.685 42.059 0.238 0.000 0.896 505 L HN -0.371 7.873 8.230 0.023 0.000 0.433 506 G N -6.703 102.107 108.800 0.017 0.000 2.870 506 G HA2 -0.219 nan 3.960 nan 0.000 0.216 506 G HA3 -0.219 nan 3.960 nan 0.000 0.216 506 G C -0.433 174.354 174.900 -0.189 0.000 0.973 506 G CA -0.749 44.277 45.100 -0.122 0.000 0.807 506 G HN -0.799 7.529 8.290 0.089 0.016 0.573 507 F N 0.925 120.792 119.950 -0.138 0.000 2.429 507 F HA -0.090 nan 4.527 nan 0.000 0.348 507 F C -1.022 174.902 175.800 0.208 0.000 1.109 507 F CA 0.966 58.967 58.000 0.002 0.000 1.232 507 F CB 0.893 39.874 39.000 -0.031 0.000 1.157 507 F HN -0.526 7.954 8.300 0.300 0.000 0.564 508 Q N 4.020 124.049 119.800 0.382 0.000 2.314 508 Q HA 0.160 nan 4.340 nan 0.000 0.259 508 Q C -1.119 174.969 176.000 0.147 0.000 0.951 508 Q CA -1.835 54.115 55.803 0.245 0.000 0.909 508 Q CB 1.829 30.631 28.738 0.105 0.000 1.236 508 Q HN 0.575 9.035 8.270 0.316 0.000 0.444 509 E N 5.170 125.367 120.200 -0.005 0.000 2.413 509 E HA 0.120 nan 4.350 nan 0.000 0.263 509 E C -0.998 175.420 176.600 -0.302 0.000 1.015 509 E CA 0.531 56.614 56.400 -0.527 0.000 0.916 509 E CB 0.840 30.296 29.700 -0.406 0.000 0.947 509 E HN 0.289 8.744 8.360 0.159 0.000 0.440 510 V N 6.932 126.651 119.914 -0.326 0.000 2.789 510 V HA 0.229 nan 4.120 nan 0.000 0.311 510 V C -1.951 174.166 176.094 0.038 0.000 1.073 510 V CA -0.815 61.411 62.300 -0.124 0.000 0.921 510 V CB 3.120 34.879 31.823 -0.106 0.000 1.009 510 V HN 0.160 8.018 8.190 -0.553 0.000 0.426 511 Y N 2.140 122.309 120.300 -0.218 0.000 2.377 511 Y HA 0.535 nan 4.550 nan 0.000 0.339 511 Y C -0.398 175.359 175.900 -0.238 0.000 1.011 511 Y CA -1.724 56.244 58.100 -0.221 0.000 1.093 511 Y CB 2.173 40.510 38.460 -0.206 0.000 1.201 511 Y HN 0.104 8.421 8.280 0.061 0.000 0.455 512 T N 5.644 120.095 114.554 -0.172 0.000 2.909 512 T HA 0.319 nan 4.350 nan 0.000 0.299 512 T C -0.870 173.693 174.700 -0.228 0.000 1.073 512 T CA -0.413 61.570 62.100 -0.195 0.000 0.999 512 T CB 2.575 71.368 68.868 -0.126 0.000 1.098 512 T HN 0.118 8.296 8.240 -0.251 -0.088 0.477 513 Y N 3.402 123.659 120.300 -0.072 0.000 2.683 513 Y HA -0.147 nan 4.550 nan 0.000 0.340 513 Y C 1.098 176.880 175.900 -0.197 0.000 1.245 513 Y CA -0.637 57.381 58.100 -0.137 0.000 1.485 513 Y CB 0.570 39.007 38.460 -0.038 0.000 1.328 513 Y HN 0.185 8.346 8.280 -0.199 0.000 0.603 514 S N 0.463 116.058 115.700 -0.175 0.000 2.428 514 S HA -0.193 nan 4.470 nan 0.000 0.230 514 S C 0.008 174.552 174.600 -0.092 0.000 1.014 514 S CA 2.168 60.275 58.200 -0.156 0.000 0.957 514 S CB 0.169 63.243 63.200 -0.211 0.000 0.784 514 S HN 0.300 8.446 8.310 -0.273 0.000 0.499 515 F N -1.264 118.739 119.950 0.088 0.000 2.496 515 F HA 0.077 nan 4.527 nan 0.000 0.344 515 F C -0.566 175.243 175.800 0.015 0.000 1.155 515 F CA -0.472 57.536 58.000 0.013 0.000 1.302 515 F CB 0.284 39.255 39.000 -0.049 0.000 1.159 515 F HN -0.649 7.314 8.300 -0.498 0.038 0.595 516 M N 1.883 121.605 119.600 0.203 0.000 2.501 516 M HA 0.226 nan 4.480 nan 0.000 0.293 516 M C -2.420 173.914 176.300 0.058 0.000 1.192 516 M CA -1.057 54.298 55.300 0.091 0.000 0.886 516 M CB 4.680 37.308 32.600 0.047 0.000 1.710 516 M HN 0.762 9.082 8.290 0.214 0.098 0.457 517 D N 4.389 124.813 120.400 0.041 0.000 2.312 517 D HA 0.229 nan 4.640 nan 0.000 0.252 517 D C -0.361 175.956 176.300 0.029 0.000 1.150 517 D CA -2.951 51.066 54.000 0.029 0.000 0.870 517 D CB 0.921 41.745 40.800 0.040 0.000 1.153 517 D HN 0.465 8.860 8.370 0.042 0.000 0.457 518 P HA -0.223 nan 4.420 nan 0.000 0.216 518 P C 1.239 178.557 177.300 0.030 0.000 1.150 518 P CA 2.047 65.159 63.100 0.020 0.000 0.837 518 P CB 0.466 32.171 31.700 0.009 0.000 0.786 519 E N -2.980 117.238 120.200 0.029 0.000 2.209 519 E HA -0.318 nan 4.350 nan 0.000 0.196 519 E C 2.116 178.753 176.600 0.062 0.000 0.993 519 E CA 2.853 59.273 56.400 0.034 0.000 0.819 519 E CB -0.720 28.995 29.700 0.025 0.000 0.745 519 E HN -0.202 8.413 8.360 0.021 -0.243 0.477 520 D N -0.537 119.918 120.400 0.093 0.000 2.178 520 D HA -0.234 nan 4.640 nan 0.000 0.201 520 D C 1.747 178.166 176.300 0.197 0.000 0.980 520 D CA 3.023 57.138 54.000 0.192 0.000 0.842 520 D CB -0.350 40.558 40.800 0.180 0.000 0.948 520 D HN -0.423 7.842 8.370 0.072 0.148 0.472 521 A N -1.333 121.542 122.820 0.092 0.000 2.076 521 A HA -0.281 nan 4.320 nan 0.000 0.220 521 A C 1.539 179.178 177.584 0.091 0.000 1.160 521 A CA 2.803 54.881 52.037 0.068 0.000 0.653 521 A CB -0.419 18.608 19.000 0.045 0.000 0.801 521 A HN -0.180 7.891 8.150 0.065 0.119 0.455 522 R N -2.005 118.542 120.500 0.079 0.000 2.055 522 R HA -0.157 nan 4.340 nan 0.000 0.221 522 R C 2.887 179.206 176.300 0.031 0.000 1.154 522 R CA 2.724 58.853 56.100 0.048 0.000 0.975 522 R CB 0.093 30.407 30.300 0.024 0.000 0.869 522 R HN -0.190 7.956 8.270 0.076 0.170 0.437 523 R N -0.929 119.576 120.500 0.008 0.000 2.154 523 R HA -0.358 nan 4.340 nan 0.000 0.248 523 R C 2.665 178.797 176.300 -0.279 0.000 1.155 523 R CA 3.201 59.209 56.100 -0.152 0.000 0.979 523 R CB -0.017 30.147 30.300 -0.227 0.000 0.869 523 R HN -0.407 7.889 8.270 0.043 0.000 0.452 524 F N -4.283 115.686 119.950 0.031 0.000 2.721 524 F HA 0.045 nan 4.527 nan 0.000 0.301 524 F C -0.748 175.139 175.800 0.144 0.000 1.096 524 F CA 0.169 58.225 58.000 0.093 0.000 1.308 524 F CB 1.060 40.081 39.000 0.035 0.000 1.086 524 F HN -0.307 8.138 8.300 0.283 0.025 0.587 525 R N -3.632 116.998 120.500 0.217 0.000 3.125 525 R HA -0.447 nan 4.340 nan 0.000 0.258 525 R C -1.321 175.129 176.300 0.250 0.000 0.968 525 R CA 0.877 57.087 56.100 0.183 0.000 0.656 525 R CB -3.113 27.271 30.300 0.140 0.000 1.251 525 R HN -0.262 7.967 8.270 0.156 0.135 0.428 526 L N -2.062 119.257 121.223 0.160 0.000 2.309 526 L HA 0.358 nan 4.340 nan 0.000 0.261 526 L C -0.426 176.511 176.870 0.112 0.000 1.021 526 L CA -1.644 53.266 54.840 0.117 0.000 0.823 526 L CB 2.366 44.358 42.059 -0.113 0.000 1.366 526 L HN -0.175 8.023 8.230 0.125 0.107 0.423 527 D N 0.133 120.619 120.400 0.144 0.000 2.382 527 D HA 0.135 nan 4.640 nan 0.000 0.240 527 D C -1.736 174.622 176.300 0.096 0.000 1.146 527 D CA -0.951 53.121 54.000 0.121 0.000 0.897 527 D CB -0.141 40.745 40.800 0.143 0.000 1.197 527 D HN 0.031 8.518 8.370 0.194 0.000 0.432 528 P HA 0.119 nan 4.420 nan 0.000 0.272 528 P C -2.316 175.023 177.300 0.066 0.000 1.230 528 P CA -1.213 61.923 63.100 0.060 0.000 0.788 528 P CB -0.174 31.554 31.700 0.047 0.000 0.949 529 P HA 0.030 nan 4.420 nan 0.000 0.268 529 P C -0.849 176.483 177.300 0.053 0.000 1.205 529 P CA 0.111 63.247 63.100 0.059 0.000 0.771 529 P CB 0.633 32.360 31.700 0.045 0.000 0.858 530 R N 1.652 122.190 120.500 0.062 0.000 2.189 530 R HA 0.017 nan 4.340 nan 0.000 0.203 530 R C -0.163 176.155 176.300 0.030 0.000 1.012 530 R CA 1.071 57.202 56.100 0.051 0.000 1.015 530 R CB 0.887 31.226 30.300 0.065 0.000 0.938 530 R HN 0.388 8.706 8.270 0.080 0.000 0.472 531 L N -0.919 120.315 121.223 0.020 0.000 2.333 531 L HA 0.239 nan 4.340 nan 0.000 0.280 531 L C -1.985 174.868 176.870 -0.027 0.000 1.004 531 L CA -0.919 53.907 54.840 -0.022 0.000 0.820 531 L CB 1.604 43.616 42.059 -0.078 0.000 1.247 531 L HN -0.103 8.150 8.230 0.037 0.000 0.416 532 L N 0.953 122.159 121.223 -0.029 0.000 2.333 532 L HA 0.648 nan 4.340 nan 0.000 0.263 532 L C -0.803 176.041 176.870 -0.044 0.000 1.014 532 L CA -1.393 53.429 54.840 -0.030 0.000 0.820 532 L CB 2.701 44.747 42.059 -0.022 0.000 1.352 532 L HN 0.064 8.278 8.230 -0.028 0.000 0.421 533 L N 0.005 121.193 121.223 -0.059 0.000 2.379 533 L HA 0.165 nan 4.340 nan 0.000 0.269 533 L C 0.082 176.912 176.870 -0.067 0.000 1.084 533 L CA -0.131 54.666 54.840 -0.072 0.000 0.802 533 L CB 0.819 42.807 42.059 -0.118 0.000 1.175 533 L HN 0.093 8.284 8.230 -0.065 0.000 0.448 534 L N 1.981 123.170 121.223 -0.058 0.000 2.416 534 L HA 0.087 nan 4.340 nan 0.000 0.216 534 L C -0.194 176.640 176.870 -0.059 0.000 1.098 534 L CA 0.870 55.680 54.840 -0.049 0.000 0.840 534 L CB 0.364 42.402 42.059 -0.036 0.000 0.981 534 L HN 0.311 8.508 8.230 -0.054 0.000 0.462 535 N N -1.826 116.829 118.700 -0.074 0.000 2.703 535 N HA 0.184 nan 4.740 nan 0.000 0.283 535 N C -2.540 172.894 175.510 -0.127 0.000 1.851 535 N CA -1.624 51.376 53.050 -0.083 0.000 0.826 535 N CB -0.447 38.003 38.487 -0.062 0.000 1.239 535 N HN -0.263 8.043 8.380 -0.076 0.028 0.495 536 P HA 0.119 nan 4.420 nan 0.000 0.272 536 P C -0.460 176.696 177.300 -0.241 0.000 1.223 536 P CA -0.410 62.535 63.100 -0.259 0.000 0.784 536 P CB 1.726 33.287 31.700 -0.232 0.000 0.923 537 L N 0.432 121.457 121.223 -0.331 0.000 2.201 537 L HA -0.147 nan 4.340 nan 0.000 0.212 537 L C -0.159 176.597 176.870 -0.189 0.000 1.105 537 L CA 0.959 55.653 54.840 -0.244 0.000 0.775 537 L CB 0.098 41.983 42.059 -0.289 0.000 0.913 537 L HN 0.636 8.564 8.230 -0.503 0.000 0.440 538 A N -5.245 117.449 122.820 -0.210 0.000 2.583 538 A HA 0.215 nan 4.320 nan 0.000 0.292 538 A C -1.939 175.559 177.584 -0.142 0.000 1.045 538 A CA -1.022 50.928 52.037 -0.145 0.000 0.672 538 A CB 0.693 19.620 19.000 -0.122 0.000 1.283 538 A HN -0.924 7.026 8.150 -0.277 0.034 0.419 539 P HA -0.233 nan 4.420 nan 0.000 0.216 539 P C 0.521 177.781 177.300 -0.066 0.000 1.150 539 P CA 2.324 65.380 63.100 -0.074 0.000 0.843 539 P CB 0.155 31.825 31.700 -0.050 0.000 0.787 540 E N -3.020 117.144 120.200 -0.060 0.000 2.482 540 E HA -0.064 nan 4.350 nan 0.000 0.196 540 E C 0.583 177.157 176.600 -0.042 0.000 1.047 540 E CA 1.299 57.679 56.400 -0.034 0.000 0.869 540 E CB -0.775 28.914 29.700 -0.017 0.000 0.836 540 E HN 0.474 8.771 8.360 -0.065 0.024 0.520 541 K N -2.429 117.902 120.400 -0.115 0.000 2.758 541 K HA 0.249 nan 4.320 nan 0.000 0.208 541 K C -1.079 175.355 176.600 -0.277 0.000 1.091 541 K CA -1.239 54.933 56.287 -0.192 0.000 1.059 541 K CB 0.127 32.395 32.500 -0.386 0.000 0.801 541 K HN -0.108 7.854 8.250 -0.140 0.204 0.470 542 A N -1.264 121.470 122.820 -0.143 0.000 2.251 542 A HA 0.091 nan 4.320 nan 0.000 0.209 542 A C -1.243 176.302 177.584 -0.065 0.000 1.187 542 A CA 0.308 52.269 52.037 -0.128 0.000 0.823 542 A CB 0.579 19.526 19.000 -0.089 0.000 0.846 542 A HN -0.467 7.557 8.150 -0.090 0.073 0.486 543 A N -3.376 119.440 122.820 -0.007 0.000 2.532 543 A HA 0.912 nan 4.320 nan 0.000 0.290 543 A C -2.416 175.228 177.584 0.101 0.000 1.143 543 A CA -1.583 50.473 52.037 0.032 0.000 0.728 543 A CB 3.074 22.091 19.000 0.028 0.000 1.317 543 A HN -0.499 7.604 8.150 0.010 0.053 0.414 544 L N -0.350 120.907 121.223 0.056 0.000 2.282 544 L HA 0.533 nan 4.340 nan 0.000 0.288 544 L C -0.406 176.569 176.870 0.174 0.000 1.033 544 L CA -1.397 53.479 54.840 0.060 0.000 0.807 544 L CB 1.031 42.930 42.059 -0.267 0.000 1.209 544 L HN 0.166 8.409 8.230 0.022 0.000 0.423 545 R N 1.890 122.513 120.500 0.205 0.000 2.537 545 R HA -0.212 nan 4.340 nan 0.000 0.281 545 R C 0.456 176.816 176.300 0.100 0.000 0.988 545 R CA 0.706 56.872 56.100 0.110 0.000 1.077 545 R CB -0.029 30.287 30.300 0.027 0.000 0.932 545 R HN 0.171 8.565 8.270 0.207 0.000 0.409 546 T N -1.002 113.588 114.554 0.059 0.000 3.037 546 T HA 0.099 nan 4.350 nan 0.000 0.252 546 T C -0.766 173.914 174.700 -0.034 0.000 1.073 546 T CA 0.699 62.841 62.100 0.069 0.000 1.091 546 T CB 0.589 69.585 68.868 0.213 0.000 0.935 546 T HN 0.551 8.818 8.240 0.044 0.000 0.488 547 H N -0.866 118.068 119.070 -0.227 0.000 2.946 547 H HA 0.362 nan 4.556 nan 0.000 0.365 547 H C -0.943 174.195 175.328 -0.315 0.000 1.197 547 H CA -0.879 55.013 56.048 -0.259 0.000 1.131 547 H CB 3.457 32.958 29.762 -0.435 0.000 1.849 547 H HN -0.716 7.564 8.280 -0.000 0.000 0.555 548 L N 0.173 121.339 121.223 -0.096 0.000 2.200 548 L HA 0.063 nan 4.340 nan 0.000 0.200 548 L C 1.308 178.080 176.870 -0.164 0.000 1.072 548 L CA 0.730 55.489 54.840 -0.134 0.000 0.787 548 L CB 0.846 42.859 42.059 -0.077 0.000 0.957 548 L HN 0.351 9.110 8.230 0.036 -0.507 0.459 549 F N -1.430 118.454 119.950 -0.111 0.000 2.115 549 F HA -0.273 nan 4.527 nan 0.000 0.300 549 F C -1.728 173.929 175.800 -0.238 0.000 1.092 549 F CA 4.594 62.511 58.000 -0.138 0.000 1.245 549 F CB -3.913 35.053 39.000 -0.056 0.000 0.995 549 F HN 0.083 8.818 8.300 0.149 -0.345 0.481 550 P HA -0.319 nan 4.420 nan 0.000 0.216 550 P C 1.921 178.960 177.300 -0.435 0.000 1.154 550 P CA 4.162 66.610 63.100 -1.088 0.000 0.865 550 P CB -1.025 29.882 31.700 -1.322 0.000 0.789 551 G N -3.577 105.048 108.800 -0.291 0.000 2.418 551 G HA2 -0.252 nan 3.960 nan 0.000 0.217 551 G HA3 -0.252 nan 3.960 nan 0.000 0.217 551 G C 1.093 175.961 174.900 -0.053 0.000 1.158 551 G CA 1.849 46.876 45.100 -0.123 0.000 0.771 551 G HN -0.379 7.691 8.290 -0.354 0.008 0.545 552 L N 1.633 122.830 121.223 -0.043 0.000 2.017 552 L HA -0.446 nan 4.340 nan 0.000 0.208 552 L C 2.157 179.057 176.870 0.050 0.000 1.073 552 L CA 2.927 57.772 54.840 0.008 0.000 0.745 552 L CB -0.212 41.864 42.059 0.028 0.000 0.894 552 L HN -0.755 7.355 8.230 -0.072 0.077 0.432 553 V N -1.200 118.768 119.914 0.091 0.000 2.324 553 V HA -0.549 nan 4.120 nan 0.000 0.250 553 V C 2.378 178.542 176.094 0.116 0.000 1.060 553 V CA 4.368 66.757 62.300 0.148 0.000 1.042 553 V CB -1.128 30.868 31.823 0.289 0.000 0.650 553 V HN 0.353 8.593 8.190 0.084 0.000 0.450 554 R N -1.282 119.278 120.500 0.101 0.000 2.073 554 R HA -0.324 nan 4.340 nan 0.000 0.234 554 R C 1.980 178.310 176.300 0.050 0.000 1.134 554 R CA 3.528 59.681 56.100 0.090 0.000 0.952 554 R CB -0.198 30.155 30.300 0.088 0.000 0.850 554 R HN -0.295 7.939 8.270 0.067 0.076 0.433 555 V N -0.344 119.590 119.914 0.034 0.000 2.568 555 V HA -0.259 nan 4.120 nan 0.000 0.253 555 V C 1.676 177.779 176.094 0.015 0.000 1.072 555 V CA 3.269 65.582 62.300 0.022 0.000 1.084 555 V CB -0.927 30.901 31.823 0.009 0.000 0.676 555 V HN 0.050 8.258 8.190 0.029 0.000 0.469 556 L N 0.736 121.966 121.223 0.013 0.000 2.027 556 L HA -0.305 nan 4.340 nan 0.000 0.206 556 L C 1.388 178.216 176.870 -0.069 0.000 1.074 556 L CA 3.082 57.906 54.840 -0.027 0.000 0.745 556 L CB -0.607 41.426 42.059 -0.043 0.000 0.898 556 L HN -0.060 8.066 8.230 0.029 0.122 0.433 557 K N -0.822 119.553 120.400 -0.042 0.000 2.009 557 K HA -0.480 nan 4.320 nan 0.000 0.210 557 K C 2.039 178.627 176.600 -0.021 0.000 1.049 557 K CA 3.859 60.120 56.287 -0.044 0.000 0.929 557 K CB -0.238 32.260 32.500 -0.003 0.000 0.714 557 K HN -0.423 7.824 8.250 -0.006 0.000 0.440 558 E N -2.056 118.147 120.200 0.004 0.000 2.130 558 E HA -0.418 nan 4.350 nan 0.000 0.196 558 E C 2.782 179.388 176.600 0.010 0.000 0.998 558 E CA 3.102 59.510 56.400 0.014 0.000 0.806 558 E CB -0.473 29.242 29.700 0.025 0.000 0.738 558 E HN -0.021 8.347 8.360 0.013 0.000 0.459 559 N N -0.225 118.478 118.700 0.005 0.000 2.109 559 N HA -0.211 nan 4.740 nan 0.000 0.188 559 N C 2.187 177.705 175.510 0.014 0.000 1.034 559 N CA 3.303 56.362 53.050 0.015 0.000 0.846 559 N CB 0.313 38.815 38.487 0.025 0.000 1.010 559 N HN -0.482 7.776 8.380 -0.002 0.121 0.425 560 L N -0.009 121.207 121.223 -0.013 0.000 2.081 560 L HA -0.453 nan 4.340 nan 0.000 0.212 560 L C 1.020 177.896 176.870 0.010 0.000 1.080 560 L CA 3.501 58.336 54.840 -0.009 0.000 0.754 560 L CB -0.300 41.713 42.059 -0.077 0.000 0.893 560 L HN -0.040 8.164 8.230 -0.043 0.000 0.433 561 D N -3.995 116.408 120.400 0.005 0.000 2.123 561 D HA -0.167 nan 4.640 nan 0.000 0.200 561 D C 1.045 177.357 176.300 0.019 0.000 0.976 561 D CA 2.527 56.534 54.000 0.013 0.000 0.831 561 D CB 0.187 40.993 40.800 0.011 0.000 0.974 561 D HN -0.494 7.858 8.370 -0.003 0.016 0.469 562 L N -3.536 117.699 121.223 0.020 0.000 2.095 562 L HA -0.142 nan 4.340 nan 0.000 0.204 562 L C -0.623 176.263 176.870 0.026 0.000 1.080 562 L CA 1.332 56.186 54.840 0.022 0.000 0.759 562 L CB 0.955 43.027 42.059 0.022 0.000 0.914 562 L HN -0.719 7.522 8.230 0.018 0.000 0.439 563 D N -3.527 116.892 120.400 0.032 0.000 2.645 563 D HA 0.147 nan 4.640 nan 0.000 0.228 563 D C -1.655 174.675 176.300 0.051 0.000 1.148 563 D CA -0.869 53.154 54.000 0.039 0.000 0.860 563 D CB 2.871 43.695 40.800 0.039 0.000 1.548 563 D HN -0.226 8.163 8.370 0.031 0.000 0.460 564 R N -0.270 120.266 120.500 0.060 0.000 2.937 564 R HA 0.307 nan 4.340 nan 0.000 0.264 564 R C -2.117 174.250 176.300 0.113 0.000 1.334 564 R CA -1.967 54.182 56.100 0.082 0.000 1.516 564 R CB -0.540 29.805 30.300 0.074 0.000 1.187 564 R HN 0.111 8.413 8.270 0.053 0.000 0.609 565 P HA -0.048 nan 4.420 nan 0.000 0.265 565 P C -0.855 176.569 177.300 0.208 0.000 1.187 565 P CA 0.120 63.321 63.100 0.168 0.000 0.766 565 P CB 1.040 32.874 31.700 0.224 0.000 0.820 566 E N 1.093 121.349 120.200 0.093 0.000 2.442 566 E HA -0.028 nan 4.350 nan 0.000 0.195 566 E C -0.265 176.226 176.600 -0.181 0.000 1.030 566 E CA 1.081 57.486 56.400 0.010 0.000 0.869 566 E CB 0.531 30.224 29.700 -0.012 0.000 0.857 566 E HN 0.486 8.886 8.360 0.066 0.000 0.505 567 R N -5.616 114.797 120.500 -0.145 0.000 2.774 567 R HA 0.632 nan 4.340 nan 0.000 0.279 567 R C -2.148 174.140 176.300 -0.021 0.000 1.022 567 R CA -0.919 54.978 56.100 -0.337 0.000 0.855 567 R CB 3.025 33.166 30.300 -0.265 0.000 1.279 567 R HN -0.653 7.586 8.270 0.021 0.043 0.485 568 A N -1.678 121.154 122.820 0.020 0.000 2.594 568 A HA 0.286 nan 4.320 nan 0.000 0.296 568 A C -3.199 174.428 177.584 0.072 0.000 1.061 568 A CA -0.155 51.959 52.037 0.129 0.000 0.689 568 A CB 3.342 22.516 19.000 0.290 0.000 1.280 568 A HN 0.685 8.767 8.150 -0.113 0.000 0.406 569 L N 1.748 122.984 121.223 0.021 0.000 2.573 569 L HA 0.734 nan 4.340 nan 0.000 0.260 569 L C -2.424 174.503 176.870 0.095 0.000 0.997 569 L CA -0.139 54.672 54.840 -0.049 0.000 0.890 569 L CB 1.165 43.005 42.059 -0.366 0.000 1.179 569 L HN 0.285 8.535 8.230 0.033 0.000 0.439 570 L N 3.982 125.339 121.223 0.224 0.000 2.335 570 L HA 0.933 nan 4.340 nan 0.000 0.268 570 L C -1.572 175.568 176.870 0.450 0.000 1.016 570 L CA -1.675 53.327 54.840 0.269 0.000 0.805 570 L CB 2.273 44.410 42.059 0.131 0.000 1.311 570 L HN 0.497 8.858 8.230 0.219 0.000 0.456 571 F N -3.232 116.791 119.950 0.122 0.000 2.688 571 F HA 0.619 nan 4.527 nan 0.000 0.308 571 F C -3.194 172.584 175.800 -0.037 0.000 1.117 571 F CA -0.837 57.163 58.000 -0.001 0.000 0.976 571 F CB 3.459 42.410 39.000 -0.081 0.000 1.291 571 F HN -0.019 8.294 8.300 0.021 0.000 0.439 572 E N 1.008 121.086 120.200 -0.203 0.000 2.343 572 E HA 0.464 nan 4.350 nan 0.000 0.278 572 E C -2.978 173.557 176.600 -0.109 0.000 0.910 572 E CA -1.335 54.886 56.400 -0.297 0.000 0.757 572 E CB 4.960 34.525 29.700 -0.225 0.000 1.218 572 E HN 0.529 8.881 8.360 -0.014 0.000 0.435 573 V N 3.426 123.270 119.914 -0.117 0.000 2.540 573 V HA 0.829 nan 4.120 nan 0.000 0.302 573 V C -1.056 174.936 176.094 -0.170 0.000 1.035 573 V CA -1.564 60.694 62.300 -0.070 0.000 0.873 573 V CB 1.884 33.704 31.823 -0.004 0.000 0.992 573 V HN 0.569 8.645 8.190 -0.190 0.000 0.428 574 G N 5.129 113.829 108.800 -0.167 0.000 2.523 574 G HA2 0.282 nan 3.960 nan 0.000 0.291 574 G HA3 0.282 nan 3.960 nan 0.000 0.291 574 G C -2.714 172.030 174.900 -0.261 0.000 1.450 574 G CA -0.005 44.954 45.100 -0.234 0.000 0.790 574 G HN 0.148 8.367 8.290 -0.118 0.000 0.496 575 R N -0.860 119.443 120.500 -0.328 0.000 2.539 575 R HA 0.636 nan 4.340 nan 0.000 0.275 575 R C -1.283 174.536 176.300 -0.802 0.000 1.077 575 R CA 0.204 55.990 56.100 -0.523 0.000 1.097 575 R CB 1.301 31.292 30.300 -0.514 0.000 1.018 575 R HN 0.237 8.335 8.270 -0.287 0.000 0.483 576 V N 1.691 121.016 119.914 -0.983 0.000 2.841 576 V HA 0.699 nan 4.120 nan 0.000 0.310 576 V C -2.086 173.436 176.094 -0.953 0.000 1.090 576 V CA -1.145 60.603 62.300 -0.920 0.000 0.930 576 V CB 4.166 35.457 31.823 -0.886 0.000 1.014 576 V HN 0.380 8.061 8.190 -0.848 0.000 0.425 577 F N 5.865 125.722 119.950 -0.155 0.000 2.427 577 F HA 0.830 nan 4.527 nan 0.000 0.348 577 F C -1.951 173.814 175.800 -0.059 0.000 1.125 577 F CA -2.068 55.879 58.000 -0.089 0.000 0.989 577 F CB 1.811 40.778 39.000 -0.055 0.000 1.165 577 F HN 0.802 9.044 8.300 -0.097 0.000 0.442 578 R N -0.079 120.478 120.500 0.095 0.000 3.119 578 R HA 0.072 nan 4.340 nan 0.000 0.294 578 R C -0.466 175.872 176.300 0.064 0.000 1.267 578 R CA 0.155 56.300 56.100 0.075 0.000 1.078 578 R CB 0.423 30.750 30.300 0.044 0.000 1.320 578 R HN 0.464 8.773 8.270 0.064 0.000 0.380 579 E N -0.367 119.875 120.200 0.071 0.000 4.795 579 E HA -0.409 nan 4.350 nan 0.000 0.162 579 E C -0.575 176.060 176.600 0.058 0.000 1.142 579 E CA 2.552 58.988 56.400 0.060 0.000 2.419 579 E CB -0.516 29.218 29.700 0.057 0.000 1.740 579 E HN 0.589 8.995 8.360 0.078 0.000 0.493 580 R N -1.504 119.029 120.500 0.055 0.000 2.799 580 R HA 0.268 nan 4.340 nan 0.000 0.270 580 R C -2.139 174.185 176.300 0.040 0.000 1.010 580 R CA -1.447 54.683 56.100 0.050 0.000 0.916 580 R CB 3.686 34.008 30.300 0.037 0.000 1.228 580 R HN -0.342 7.863 8.270 0.048 0.094 0.469 581 E N 1.771 121.997 120.200 0.043 0.000 2.229 581 E HA 0.172 nan 4.350 nan 0.000 0.283 581 E C -1.163 175.379 176.600 -0.097 0.000 1.030 581 E CA -0.404 55.982 56.400 -0.022 0.000 0.836 581 E CB 0.891 30.634 29.700 0.072 0.000 1.068 581 E HN 0.199 8.592 8.360 0.056 0.000 0.401 582 E N 4.675 124.751 120.200 -0.206 0.000 2.383 582 E HA 0.424 nan 4.350 nan 0.000 0.275 582 E C -1.425 175.075 176.600 -0.168 0.000 0.918 582 E CA -1.863 54.464 56.400 -0.121 0.000 0.764 582 E CB 3.489 33.181 29.700 -0.014 0.000 1.252 582 E HN 0.575 8.726 8.360 -0.349 0.000 0.449 583 T N 2.636 117.163 114.554 -0.045 0.000 2.856 583 T HA 0.529 nan 4.350 nan 0.000 0.292 583 T C -0.723 174.074 174.700 0.162 0.000 0.980 583 T CA 1.059 63.140 62.100 -0.032 0.000 1.091 583 T CB 0.564 69.405 68.868 -0.045 0.000 0.936 583 T HN 0.532 8.764 8.240 -0.013 0.000 0.503 584 H N 4.515 123.491 119.070 -0.156 0.000 2.771 584 H HA 0.896 nan 4.556 nan 0.000 0.367 584 H C -2.160 173.094 175.328 -0.124 0.000 1.172 584 H CA -1.896 54.070 56.048 -0.137 0.000 1.186 584 H CB 4.081 33.741 29.762 -0.170 0.000 1.790 584 H HN 0.803 9.082 8.280 -0.001 0.000 0.556 585 L N 0.398 121.599 121.223 -0.038 0.000 2.385 585 L HA 0.765 nan 4.340 nan 0.000 0.273 585 L C -2.620 174.127 176.870 -0.205 0.000 0.990 585 L CA -1.410 53.392 54.840 -0.064 0.000 0.821 585 L CB 3.771 45.818 42.059 -0.019 0.000 1.279 585 L HN 0.599 8.653 8.230 -0.119 0.104 0.412 586 A N 4.678 127.314 122.820 -0.306 0.000 2.574 586 A HA 0.837 nan 4.320 nan 0.000 0.297 586 A C -2.566 174.629 177.584 -0.649 0.000 1.062 586 A CA -0.747 50.906 52.037 -0.639 0.000 0.686 586 A CB 4.055 22.870 19.000 -0.309 0.000 1.285 586 A HN 0.716 8.764 8.150 -0.170 0.000 0.403 587 G N -1.547 106.611 108.800 -1.071 0.000 2.708 587 G HA2 0.986 nan 3.960 nan 0.000 0.289 587 G HA3 0.986 nan 3.960 nan 0.000 0.289 587 G C -3.476 171.423 174.900 -0.001 0.000 1.416 587 G CA -1.025 43.907 45.100 -0.280 0.000 0.829 587 G HN 0.072 7.337 8.290 -1.707 0.000 0.480 588 L N -2.135 119.235 121.223 0.245 0.000 2.549 588 L HA 0.939 nan 4.340 nan 0.000 0.259 588 L C -3.018 174.016 176.870 0.273 0.000 0.934 588 L CA -0.531 54.466 54.840 0.261 0.000 0.865 588 L CB 3.507 45.683 42.059 0.195 0.000 1.352 588 L HN -0.141 8.282 8.230 0.323 0.000 0.410 589 L N 3.976 125.367 121.223 0.280 0.000 2.346 589 L HA 1.088 nan 4.340 nan 0.000 0.276 589 L C -2.814 174.230 176.870 0.290 0.000 1.006 589 L CA -1.292 53.667 54.840 0.199 0.000 0.817 589 L CB 3.821 45.954 42.059 0.122 0.000 1.272 589 L HN 0.718 9.036 8.230 0.325 0.107 0.421 590 F N 6.125 126.133 119.950 0.097 0.000 2.654 590 F HA 0.732 nan 4.527 nan 0.000 0.308 590 F C -2.121 173.720 175.800 0.068 0.000 1.108 590 F CA -1.094 56.971 58.000 0.109 0.000 0.957 590 F CB 3.651 42.718 39.000 0.110 0.000 1.309 590 F HN 0.762 9.137 8.300 0.126 0.000 0.446 591 G N 3.820 111.789 108.800 -1.385 0.000 2.466 591 G HA2 -0.371 nan 3.960 nan 0.000 0.316 591 G HA3 -0.371 nan 3.960 nan 0.000 0.316 591 G C -1.257 173.383 174.900 -0.434 0.000 1.270 591 G CA -0.269 44.113 45.100 -1.197 0.000 0.982 591 G HN 0.198 8.098 8.290 -0.650 0.000 0.506 592 E N 0.299 120.318 120.200 -0.301 0.000 2.085 592 E HA -0.301 nan 4.350 nan 0.000 0.194 592 E C 0.361 176.885 176.600 -0.126 0.000 0.994 592 E CA 1.337 57.643 56.400 -0.156 0.000 0.801 592 E CB 0.452 30.085 29.700 -0.111 0.000 0.743 592 E HN -0.081 8.075 8.360 -0.341 0.000 0.453 593 G N -1.508 107.212 108.800 -0.133 0.000 2.384 593 G HA2 -0.282 nan 3.960 nan 0.000 0.204 593 G HA3 -0.282 nan 3.960 nan 0.000 0.204 593 G C -1.838 173.018 174.900 -0.073 0.000 1.237 593 G CA -0.781 44.264 45.100 -0.091 0.000 1.060 593 G HN -0.706 7.486 8.290 -0.163 0.000 0.514 594 V N 2.463 122.341 119.914 -0.059 0.000 2.483 594 V HA 0.485 nan 4.120 nan 0.000 0.295 594 V C -0.924 175.116 176.094 -0.090 0.000 1.035 594 V CA -0.675 61.588 62.300 -0.062 0.000 0.896 594 V CB 1.406 33.204 31.823 -0.042 0.000 0.986 594 V HN 0.189 8.345 8.190 -0.056 0.000 0.447 595 G N 2.746 111.478 108.800 -0.113 0.000 2.317 595 G HA2 0.260 nan 3.960 nan 0.000 0.293 595 G HA3 0.260 nan 3.960 nan 0.000 0.293 595 G C -1.773 172.989 174.900 -0.229 0.000 1.287 595 G CA 0.221 45.226 45.100 -0.158 0.000 0.850 595 G HN -0.360 7.866 8.290 -0.105 0.000 0.515 596 L N 1.210 122.218 121.223 -0.359 0.000 2.361 596 L HA 0.348 nan 4.340 nan 0.000 0.278 596 L C -0.283 176.222 176.870 -0.609 0.000 1.113 596 L CA -2.505 51.952 54.840 -0.638 0.000 0.849 596 L CB 0.078 41.486 42.059 -1.086 0.000 1.155 596 L HN 0.406 8.437 8.230 -0.333 0.000 0.452 597 P HA -0.232 nan 4.420 nan 0.000 0.216 597 P C -0.870 176.355 177.300 -0.126 0.000 1.157 597 P CA 2.081 65.067 63.100 -0.190 0.000 0.880 597 P CB 0.075 31.788 31.700 0.023 0.000 0.791 598 W N -6.919 114.378 121.300 -0.005 0.000 3.364 598 W HA 0.116 nan 4.660 nan 0.000 0.397 598 W C -1.383 175.134 176.519 -0.003 0.000 1.107 598 W CA -1.545 55.798 57.345 -0.003 0.000 1.892 598 W CB -1.803 27.655 29.460 -0.003 0.000 1.027 598 W HN -0.536 6.947 8.180 -1.121 0.025 0.761 599 A N 0.242 122.954 122.820 -0.181 0.000 2.569 599 A HA 0.321 nan 4.320 nan 0.000 0.290 599 A C -1.950 175.567 177.584 -0.113 0.000 1.136 599 A CA -0.336 51.613 52.037 -0.148 0.000 0.710 599 A CB 2.447 21.260 19.000 -0.312 0.000 1.303 599 A HN -0.508 7.398 8.150 -0.248 0.095 0.413 600 K N -3.184 117.173 120.400 -0.071 0.000 2.335 600 K HA 0.022 nan 4.320 nan 0.000 0.195 600 K C -0.141 176.420 176.600 -0.064 0.000 1.058 600 K CA 0.483 56.737 56.287 -0.054 0.000 0.988 600 K CB 0.230 32.717 32.500 -0.022 0.000 0.880 600 K HN 0.185 8.400 8.250 -0.058 0.000 0.513 601 E N 2.496 122.650 120.200 -0.076 0.000 2.415 601 E HA -0.086 nan 4.350 nan 0.000 0.260 601 E C -0.865 175.681 176.600 -0.090 0.000 1.016 601 E CA 0.900 57.257 56.400 -0.072 0.000 0.924 601 E CB -0.627 29.029 29.700 -0.074 0.000 0.961 601 E HN 0.010 8.320 8.360 -0.085 0.000 0.459 602 R N 0.551 121.009 120.500 -0.070 0.000 2.771 602 R HA 0.688 nan 4.340 nan 0.000 0.274 602 R C -0.344 175.921 176.300 -0.057 0.000 0.987 602 R CA -1.057 54.999 56.100 -0.073 0.000 0.908 602 R CB 3.425 33.683 30.300 -0.071 0.000 1.213 602 R HN -0.022 8.216 8.270 -0.053 0.000 0.468 603 L N 4.107 125.293 121.223 -0.062 0.000 2.282 603 L HA 0.480 nan 4.340 nan 0.000 0.288 603 L C -1.496 175.347 176.870 -0.045 0.000 1.033 603 L CA -0.151 54.659 54.840 -0.050 0.000 0.807 603 L CB 1.232 43.251 42.059 -0.068 0.000 1.209 603 L HN 0.632 8.818 8.230 -0.073 0.000 0.423 604 S N 1.207 116.888 115.700 -0.031 0.000 2.655 604 S HA 0.116 nan 4.470 nan 0.000 0.266 604 S C -0.172 174.378 174.600 -0.083 0.000 1.149 604 S CA -0.553 57.614 58.200 -0.054 0.000 0.818 604 S CB 2.593 65.758 63.200 -0.059 0.000 1.130 604 S HN 0.225 8.530 8.310 -0.008 0.000 0.476 605 G N -0.161 108.526 108.800 -0.189 0.000 2.569 605 G HA2 -0.377 nan 3.960 nan 0.000 0.259 605 G HA3 -0.377 nan 3.960 nan 0.000 0.259 605 G C -0.232 174.339 174.900 -0.547 0.000 1.263 605 G CA 0.188 44.990 45.100 -0.497 0.000 0.928 605 G HN 0.117 8.314 8.290 -0.154 0.000 0.572 606 Y N 3.220 123.067 120.300 -0.755 0.000 2.030 606 Y HA -0.404 nan 4.550 nan 0.000 0.272 606 Y C 1.059 176.788 175.900 -0.285 0.000 1.185 606 Y CA 3.142 61.007 58.100 -0.392 0.000 1.120 606 Y CB 0.007 38.262 38.460 -0.341 0.000 0.955 606 Y HN 0.157 8.115 8.280 -0.538 0.000 0.495 607 F N -5.114 114.837 119.950 0.001 0.000 2.451 607 F HA -0.248 nan 4.527 nan 0.000 0.299 607 F C 1.789 177.506 175.800 -0.140 0.000 1.101 607 F CA 2.981 60.934 58.000 -0.078 0.000 1.436 607 F CB -0.683 38.347 39.000 0.050 0.000 1.074 607 F HN 0.069 8.426 8.300 0.096 0.000 0.553 608 L N 0.227 121.447 121.223 -0.004 0.000 2.068 608 L HA -0.177 nan 4.340 nan 0.000 0.204 608 L C 0.859 177.724 176.870 -0.008 0.000 1.076 608 L CA 2.970 57.790 54.840 -0.032 0.000 0.753 608 L CB -0.152 41.892 42.059 -0.024 0.000 0.910 608 L HN -0.240 7.826 8.230 -0.037 0.142 0.439 609 L N -0.915 120.279 121.223 -0.048 0.000 2.083 609 L HA -0.443 nan 4.340 nan 0.000 0.209 609 L C 1.829 178.672 176.870 -0.044 0.000 1.083 609 L CA 3.573 58.425 54.840 0.021 0.000 0.752 609 L CB -0.567 41.505 42.059 0.023 0.000 0.899 609 L HN -0.042 8.109 8.230 -0.132 0.000 0.433 610 K N -1.598 118.681 120.400 -0.202 0.000 2.283 610 K HA -0.251 nan 4.320 nan 0.000 0.202 610 K C 2.231 178.821 176.600 -0.016 0.000 1.048 610 K CA 3.115 59.318 56.287 -0.140 0.000 0.948 610 K CB -0.365 31.977 32.500 -0.263 0.000 0.742 610 K HN 0.297 8.342 8.250 -0.332 0.005 0.458 611 G N -0.879 107.896 108.800 -0.042 0.000 2.404 611 G HA2 -0.184 nan 3.960 nan 0.000 0.214 611 G HA3 -0.184 nan 3.960 nan 0.000 0.214 611 G C 1.276 176.106 174.900 -0.116 0.000 1.189 611 G CA 1.853 46.897 45.100 -0.094 0.000 0.789 611 G HN -0.764 7.323 8.290 -0.056 0.170 0.533 612 Y N 2.077 122.334 120.300 -0.071 0.000 2.315 612 Y HA -0.284 nan 4.550 nan 0.000 0.288 612 Y C 2.457 178.332 175.900 -0.041 0.000 1.154 612 Y CA 3.582 61.658 58.100 -0.041 0.000 1.229 612 Y CB -0.189 38.225 38.460 -0.077 0.000 0.980 612 Y HN -0.208 8.071 8.280 -0.002 0.000 0.540 613 L N -1.737 119.483 121.223 -0.006 0.000 2.162 613 L HA -0.377 nan 4.340 nan 0.000 0.205 613 L C 1.903 178.563 176.870 -0.350 0.000 1.086 613 L CA 2.849 57.526 54.840 -0.272 0.000 0.778 613 L CB -0.277 41.512 42.059 -0.450 0.000 0.928 613 L HN -0.139 7.967 8.230 0.004 0.126 0.446 614 E N -0.289 119.784 120.200 -0.212 0.000 2.106 614 E HA -0.395 nan 4.350 nan 0.000 0.192 614 E C 2.307 178.883 176.600 -0.041 0.000 0.984 614 E CA 3.381 59.732 56.400 -0.082 0.000 0.806 614 E CB -0.266 29.484 29.700 0.084 0.000 0.750 614 E HN -0.301 7.915 8.360 -0.109 0.079 0.458 615 A N -0.419 122.367 122.820 -0.057 0.000 1.858 615 A HA -0.216 nan 4.320 nan 0.000 0.216 615 A C 1.913 179.454 177.584 -0.071 0.000 1.190 615 A CA 3.109 55.118 52.037 -0.048 0.000 0.617 615 A CB -0.572 18.400 19.000 -0.048 0.000 0.827 615 A HN 0.228 8.334 8.150 -0.065 0.005 0.443 616 L N -1.351 119.800 121.223 -0.120 0.000 1.989 616 L HA -0.348 nan 4.340 nan 0.000 0.211 616 L C 1.881 178.526 176.870 -0.376 0.000 1.071 616 L CA 2.682 57.360 54.840 -0.270 0.000 0.749 616 L CB -0.489 41.317 42.059 -0.422 0.000 0.890 616 L HN -0.369 7.702 8.230 -0.082 0.109 0.431 617 F N -2.496 117.297 119.950 -0.261 0.000 2.293 617 F HA -0.402 nan 4.527 nan 0.000 0.300 617 F C 1.502 177.247 175.800 -0.092 0.000 1.086 617 F CA 4.096 61.977 58.000 -0.199 0.000 1.375 617 F CB -0.792 38.046 39.000 -0.269 0.000 1.045 617 F HN 0.146 8.221 8.300 -0.193 0.109 0.516 618 A N -0.876 121.979 122.820 0.057 0.000 1.930 618 A HA -0.239 nan 4.320 nan 0.000 0.217 618 A C 2.843 180.430 177.584 0.004 0.000 1.175 618 A CA 2.947 55.011 52.037 0.045 0.000 0.627 618 A CB -0.826 18.190 19.000 0.028 0.000 0.815 618 A HN 0.035 8.201 8.150 0.028 0.000 0.443 619 R N -1.080 119.395 120.500 -0.042 0.000 2.096 619 R HA -0.239 nan 4.340 nan 0.000 0.235 619 R C 1.834 178.096 176.300 -0.064 0.000 1.127 619 R CA 1.941 58.006 56.100 -0.058 0.000 0.968 619 R CB -0.413 29.834 30.300 -0.087 0.000 0.861 619 R HN -0.558 7.674 8.270 -0.062 0.000 0.440 620 L N -4.714 116.452 121.223 -0.095 0.000 2.554 620 L HA -0.062 nan 4.340 nan 0.000 0.226 620 L C -0.291 176.582 176.870 0.006 0.000 1.137 620 L CA -0.044 54.749 54.840 -0.077 0.000 0.863 620 L CB 0.222 42.187 42.059 -0.157 0.000 0.985 620 L HN -0.765 7.299 8.230 -0.134 0.086 0.451 621 G N -2.762 106.057 108.800 0.032 0.000 2.198 621 G HA2 -0.401 nan 3.960 nan 0.000 0.260 621 G HA3 -0.401 nan 3.960 nan 0.000 0.260 621 G C -0.940 174.015 174.900 0.092 0.000 1.025 621 G CA 0.445 45.579 45.100 0.057 0.000 0.769 621 G HN -0.445 7.640 8.290 0.019 0.216 0.507 622 L N -2.531 118.787 121.223 0.158 0.000 2.313 622 L HA 0.413 nan 4.340 nan 0.000 0.268 622 L C -1.306 175.664 176.870 0.167 0.000 1.010 622 L CA -1.973 52.977 54.840 0.183 0.000 0.814 622 L CB 1.950 44.183 42.059 0.290 0.000 1.304 622 L HN -0.500 7.844 8.230 0.190 0.000 0.441 623 A N 0.238 123.115 122.820 0.096 0.000 2.309 623 A HA 0.246 nan 4.320 nan 0.000 0.290 623 A C -2.160 175.434 177.584 0.017 0.000 1.206 623 A CA -0.687 51.386 52.037 0.061 0.000 0.850 623 A CB 0.818 19.833 19.000 0.025 0.000 1.118 623 A HN 0.229 8.690 8.150 0.081 -0.262 0.523 624 F N 4.164 124.002 119.950 -0.187 0.000 2.495 624 F HA 0.592 nan 4.527 nan 0.000 0.327 624 F C -1.708 173.987 175.800 -0.175 0.000 1.103 624 F CA -1.241 56.543 58.000 -0.360 0.000 0.949 624 F CB 3.587 42.276 39.000 -0.519 0.000 1.142 624 F HN 0.292 8.690 8.300 0.164 0.000 0.457 625 R N 6.084 126.093 120.500 -0.818 0.000 2.604 625 R HA 0.359 nan 4.340 nan 0.000 0.270 625 R C -2.845 173.060 176.300 -0.658 0.000 1.052 625 R CA -0.686 55.052 56.100 -0.604 0.000 0.902 625 R CB 4.740 34.885 30.300 -0.259 0.000 1.233 625 R HN -0.003 7.745 8.270 -0.870 0.000 0.455 626 V N 4.664 124.330 119.914 -0.414 0.000 2.407 626 V HA 0.420 nan 4.120 nan 0.000 0.291 626 V C -1.253 174.816 176.094 -0.040 0.000 1.018 626 V CA -0.919 61.256 62.300 -0.208 0.000 0.842 626 V CB 1.377 33.144 31.823 -0.093 0.000 0.996 626 V HN 0.343 8.358 8.190 -0.292 0.000 0.426 627 E N 6.649 126.845 120.200 -0.006 0.000 2.191 627 E HA 0.340 nan 4.350 nan 0.000 0.274 627 E C -1.346 175.296 176.600 0.071 0.000 0.948 627 E CA -1.729 54.688 56.400 0.029 0.000 0.802 627 E CB 4.159 33.870 29.700 0.017 0.000 1.137 627 E HN 0.279 8.633 8.360 -0.011 0.000 0.397 628 A N 3.264 126.121 122.820 0.062 0.000 2.425 628 A HA 0.083 nan 4.320 nan 0.000 0.249 628 A C -1.159 176.460 177.584 0.059 0.000 1.084 628 A CA 0.449 52.526 52.037 0.066 0.000 0.781 628 A CB 0.442 19.462 19.000 0.033 0.000 1.019 628 A HN 0.313 8.492 8.150 0.048 0.000 0.490 629 Q N 2.323 122.171 119.800 0.080 0.000 2.545 629 Q HA 0.057 nan 4.340 nan 0.000 0.273 629 Q C -2.094 173.867 176.000 -0.064 0.000 0.975 629 Q CA -0.319 55.474 55.803 -0.017 0.000 0.876 629 Q CB 3.342 32.061 28.738 -0.033 0.000 1.472 629 Q HN 0.012 8.359 8.270 0.128 0.000 0.389 630 A N 3.144 125.824 122.820 -0.233 0.000 2.316 630 A HA 0.554 nan 4.320 nan 0.000 0.284 630 A C -1.462 175.765 177.584 -0.595 0.000 1.115 630 A CA -0.173 51.722 52.037 -0.237 0.000 0.812 630 A CB 0.651 19.548 19.000 -0.172 0.000 1.064 630 A HN 0.449 8.450 8.150 -0.247 0.000 0.489 631 F N 0.179 119.952 119.950 -0.295 0.000 2.574 631 F HA 0.324 nan 4.527 nan 0.000 0.313 631 F C -1.459 173.957 175.800 -0.639 0.000 1.130 631 F CA -2.070 55.570 58.000 -0.600 0.000 0.936 631 F CB 2.205 40.610 39.000 -0.991 0.000 1.219 631 F HN -0.267 7.988 8.300 -0.075 0.000 0.445 632 P HA -0.322 nan 4.420 nan 0.000 0.217 632 P C 0.005 177.214 177.300 -0.151 0.000 1.158 632 P CA 2.532 65.504 63.100 -0.213 0.000 0.887 632 P CB 0.057 31.719 31.700 -0.064 0.000 0.792 633 F N -8.577 111.427 119.950 0.090 0.000 2.456 633 F HA 0.037 nan 4.527 nan 0.000 0.298 633 F C -0.563 175.292 175.800 0.091 0.000 1.104 633 F CA -0.766 57.293 58.000 0.098 0.000 1.435 633 F CB -0.815 38.283 39.000 0.164 0.000 1.078 633 F HN -0.229 7.322 8.300 -1.231 0.010 0.546 634 L N -2.087 119.070 121.223 -0.111 0.000 2.479 634 L HA 0.042 nan 4.340 nan 0.000 0.248 634 L C 0.063 177.015 176.870 0.137 0.000 1.205 634 L CA -0.711 54.152 54.840 0.039 0.000 0.817 634 L CB 0.645 42.679 42.059 -0.041 0.000 1.162 634 L HN -0.662 7.104 8.230 -0.534 0.144 0.486 635 H N 1.743 120.780 119.070 -0.054 0.000 2.562 635 H HA 0.286 nan 4.556 nan 0.000 0.314 635 H C -1.176 174.072 175.328 -0.134 0.000 1.079 635 H CA -1.945 53.979 56.048 -0.206 0.000 1.349 635 H CB 0.986 30.631 29.762 -0.196 0.000 1.432 635 H HN -0.052 8.317 8.280 0.149 0.000 0.479 636 P HA -0.236 nan 4.420 nan 0.000 0.216 636 P C 0.479 177.858 177.300 0.132 0.000 1.154 636 P CA 2.660 65.808 63.100 0.079 0.000 0.865 636 P CB 0.303 31.993 31.700 -0.017 0.000 0.789 637 G N -4.778 104.202 108.800 0.300 0.000 2.572 637 G HA2 -0.078 nan 3.960 nan 0.000 0.216 637 G HA3 -0.078 nan 3.960 nan 0.000 0.216 637 G C 0.160 174.951 174.900 -0.181 0.000 1.133 637 G CA 0.137 45.267 45.100 0.051 0.000 0.791 637 G HN -0.513 8.118 8.290 0.568 0.000 0.538 638 V N -0.816 118.945 119.914 -0.255 0.000 2.467 638 V HA 0.299 nan 4.120 nan 0.000 0.260 638 V C -1.974 174.038 176.094 -0.137 0.000 0.963 638 V CA -1.700 60.384 62.300 -0.361 0.000 0.856 638 V CB -0.989 30.549 31.823 -0.475 0.000 1.087 638 V HN -0.321 7.660 8.190 -0.077 0.163 0.467 639 S N 2.148 117.821 115.700 -0.045 0.000 2.572 639 S HA 0.750 nan 4.470 nan 0.000 0.274 639 S C -0.983 173.714 174.600 0.160 0.000 1.150 639 S CA -0.696 57.567 58.200 0.106 0.000 0.944 639 S CB 2.045 65.322 63.200 0.128 0.000 1.071 639 S HN -0.378 7.883 8.310 -0.082 0.000 0.479 640 G N 3.026 111.985 108.800 0.265 0.000 2.677 640 G HA2 0.659 nan 3.960 nan 0.000 0.291 640 G HA3 0.659 nan 3.960 nan 0.000 0.291 640 G C -3.213 171.899 174.900 0.353 0.000 1.435 640 G CA 0.373 45.637 45.100 0.273 0.000 0.826 640 G HN 0.540 9.002 8.290 0.286 0.000 0.491 641 R N -1.797 118.892 120.500 0.315 0.000 2.474 641 R HA 0.822 nan 4.340 nan 0.000 0.295 641 R C -0.860 175.508 176.300 0.114 0.000 0.980 641 R CA -1.931 54.351 56.100 0.303 0.000 0.934 641 R CB 2.255 32.762 30.300 0.344 0.000 1.101 641 R HN 0.862 9.178 8.270 0.244 0.100 0.469 642 V N 3.585 123.552 119.914 0.087 0.000 2.461 642 V HA 0.469 nan 4.120 nan 0.000 0.275 642 V C -1.346 174.707 176.094 -0.067 0.000 1.047 642 V CA 0.183 62.459 62.300 -0.040 0.000 0.955 642 V CB 0.345 32.218 31.823 0.083 0.000 0.988 642 V HN 0.879 9.047 8.190 0.149 0.111 0.471 643 L N 7.826 128.929 121.223 -0.200 0.000 2.313 643 L HA 0.607 nan 4.340 nan 0.000 0.273 643 L C -1.059 175.704 176.870 -0.178 0.000 1.028 643 L CA -1.128 53.626 54.840 -0.143 0.000 0.871 643 L CB -0.669 41.308 42.059 -0.137 0.000 1.242 643 L HN 0.862 8.770 8.230 -0.375 0.097 0.434 644 V N 4.920 124.765 119.914 -0.114 0.000 2.465 644 V HA 0.124 nan 4.120 nan 0.000 0.279 644 V C 0.616 176.686 176.094 -0.041 0.000 1.045 644 V CA -0.681 61.545 62.300 -0.123 0.000 0.938 644 V CB 0.249 32.032 31.823 -0.066 0.000 0.986 644 V HN 0.650 8.804 8.190 -0.061 0.000 0.467 645 E N 7.706 127.892 120.200 -0.025 0.000 2.294 645 E HA -0.451 nan 4.350 nan 0.000 0.228 645 E C 0.058 176.654 176.600 -0.006 0.000 1.253 645 E CA 0.747 57.148 56.400 0.003 0.000 0.716 645 E CB -2.244 27.474 29.700 0.030 0.000 1.184 645 E HN 0.984 9.217 8.360 -0.038 0.105 0.374 646 G N -4.593 104.192 108.800 -0.026 0.000 2.179 646 G HA2 -0.448 nan 3.960 nan 0.000 0.260 646 G HA3 -0.448 nan 3.960 nan 0.000 0.260 646 G C -1.299 173.593 174.900 -0.012 0.000 0.977 646 G CA 0.213 45.301 45.100 -0.021 0.000 0.641 646 G HN 0.365 8.608 8.290 -0.045 0.020 0.533 647 E N -0.597 119.598 120.200 -0.008 0.000 2.256 647 E HA 0.287 nan 4.350 nan 0.000 0.267 647 E C -1.907 174.700 176.600 0.011 0.000 0.892 647 E CA -2.241 54.164 56.400 0.008 0.000 0.775 647 E CB 2.499 32.211 29.700 0.019 0.000 1.207 647 E HN -0.075 8.096 8.360 -0.013 0.181 0.420 648 E N 3.293 123.513 120.200 0.032 0.000 2.265 648 E HA -0.066 nan 4.350 nan 0.000 0.272 648 E C 0.145 176.783 176.600 0.064 0.000 1.067 648 E CA 0.355 56.790 56.400 0.058 0.000 0.900 648 E CB 0.028 29.784 29.700 0.093 0.000 1.017 648 E HN 0.422 8.803 8.360 0.036 0.000 0.431 649 V N -1.433 118.514 119.914 0.054 0.000 3.556 649 V HA 0.592 nan 4.120 nan 0.000 0.287 649 V C -1.156 174.948 176.094 0.016 0.000 1.422 649 V CA -1.274 61.048 62.300 0.036 0.000 1.038 649 V CB 0.644 32.488 31.823 0.035 0.000 0.850 649 V HN 0.243 8.462 8.190 0.048 0.000 0.437 650 G N -0.846 107.990 108.800 0.060 0.000 2.336 650 G HA2 0.299 nan 3.960 nan 0.000 0.286 650 G HA3 0.299 nan 3.960 nan 0.000 0.286 650 G C -3.187 171.758 174.900 0.076 0.000 1.269 650 G CA 0.932 46.041 45.100 0.015 0.000 0.873 650 G HN -0.851 7.497 8.290 0.096 0.000 0.494 651 F N -3.404 116.525 119.950 -0.035 0.000 2.740 651 F HA 1.183 nan 4.527 nan 0.000 0.357 651 F C -2.501 173.341 175.800 0.069 0.000 1.141 651 F CA -3.196 54.722 58.000 -0.136 0.000 1.044 651 F CB 3.506 42.085 39.000 -0.702 0.000 1.430 651 F HN 0.032 7.878 8.300 -0.757 0.000 0.518 652 L N -1.530 119.952 121.223 0.431 0.000 2.611 652 L HA 0.625 nan 4.340 nan 0.000 0.260 652 L C -2.216 174.909 176.870 0.425 0.000 0.924 652 L CA -0.100 54.990 54.840 0.418 0.000 0.901 652 L CB 3.904 46.144 42.059 0.302 0.000 1.369 652 L HN 0.224 8.692 8.230 0.397 0.000 0.415 653 G N 2.507 111.556 108.800 0.415 0.000 2.340 653 G HA2 0.358 nan 3.960 nan 0.000 0.299 653 G HA3 0.358 nan 3.960 nan 0.000 0.299 653 G C -3.400 171.627 174.900 0.211 0.000 1.291 653 G CA 0.867 46.165 45.100 0.330 0.000 0.841 653 G HN 0.498 9.042 8.290 0.423 0.000 0.500 654 A N -2.093 120.734 122.820 0.012 0.000 2.306 654 A HA 0.909 nan 4.320 nan 0.000 0.314 654 A C -1.454 176.104 177.584 -0.042 0.000 1.164 654 A CA -1.920 49.955 52.037 -0.269 0.000 0.822 654 A CB 1.772 20.501 19.000 -0.452 0.000 1.130 654 A HN 0.454 8.612 8.150 0.012 0.000 0.496 655 L N 1.794 123.003 121.223 -0.023 0.000 2.485 655 L HA -0.182 nan 4.340 nan 0.000 0.275 655 L C -0.546 176.408 176.870 0.140 0.000 1.207 655 L CA 0.420 55.323 54.840 0.104 0.000 0.855 655 L CB 0.474 42.614 42.059 0.134 0.000 1.114 655 L HN 0.188 8.354 8.230 -0.106 0.000 0.485 656 H N 8.670 127.795 119.070 0.092 0.000 3.070 656 H HA 0.051 nan 4.556 nan 0.000 0.313 656 H C -0.971 174.362 175.328 0.009 0.000 0.997 656 H CA 0.270 56.338 56.048 0.033 0.000 1.438 656 H CB 1.036 30.805 29.762 0.012 0.000 1.455 656 H HN 0.090 8.546 8.280 0.293 0.000 0.575 657 P HA -0.323 nan 4.420 nan 0.000 0.216 657 P C 1.309 178.688 177.300 0.133 0.000 1.153 657 P CA 3.072 66.193 63.100 0.035 0.000 0.858 657 P CB 0.286 31.921 31.700 -0.109 0.000 0.789 658 E N -2.276 118.107 120.200 0.305 0.000 2.077 658 E HA -0.338 nan 4.350 nan 0.000 0.193 658 E C 2.461 179.083 176.600 0.035 0.000 0.989 658 E CA 3.080 59.558 56.400 0.130 0.000 0.800 658 E CB -0.430 29.304 29.700 0.057 0.000 0.746 658 E HN -0.534 8.177 8.360 0.586 0.000 0.452 659 I N -1.099 119.496 120.570 0.042 0.000 2.394 659 I HA -0.409 nan 4.170 nan 0.000 0.251 659 I C 1.670 177.762 176.117 -0.041 0.000 1.136 659 I CA 3.356 64.617 61.300 -0.065 0.000 1.425 659 I CB -0.416 37.550 38.000 -0.057 0.000 1.079 659 I HN -0.557 7.743 8.210 0.150 0.000 0.425 660 A N -0.112 122.732 122.820 0.040 0.000 1.858 660 A HA -0.370 nan 4.320 nan 0.000 0.216 660 A C 2.251 179.844 177.584 0.015 0.000 1.190 660 A CA 3.324 55.386 52.037 0.042 0.000 0.617 660 A CB -1.053 17.989 19.000 0.070 0.000 0.827 660 A HN 0.007 8.110 8.150 0.091 0.101 0.443 661 Q N -1.551 118.260 119.800 0.017 0.000 2.061 661 Q HA -0.316 nan 4.340 nan 0.000 0.204 661 Q C 2.993 178.985 176.000 -0.013 0.000 0.984 661 Q CA 3.075 58.882 55.803 0.007 0.000 0.846 661 Q CB -0.267 28.478 28.738 0.011 0.000 0.902 661 Q HN 0.284 8.397 8.270 0.033 0.177 0.421 662 E N 0.529 120.708 120.200 -0.035 0.000 2.118 662 E HA -0.245 nan 4.350 nan 0.000 0.195 662 E C 1.499 178.067 176.600 -0.053 0.000 0.992 662 E CA 2.560 58.928 56.400 -0.053 0.000 0.804 662 E CB -0.033 29.613 29.700 -0.089 0.000 0.741 662 E HN -0.387 7.951 8.360 -0.037 0.000 0.458 663 L N -3.623 117.564 121.223 -0.059 0.000 2.592 663 L HA 0.082 nan 4.340 nan 0.000 0.227 663 L C -0.707 176.155 176.870 -0.014 0.000 1.127 663 L CA -0.107 54.708 54.840 -0.041 0.000 0.884 663 L CB 0.318 42.347 42.059 -0.049 0.000 1.065 663 L HN -0.622 7.558 8.230 -0.065 0.011 0.457 664 E N -4.508 115.687 120.200 -0.009 0.000 2.416 664 E HA -0.455 nan 4.350 nan 0.000 0.249 664 E C -0.984 175.615 176.600 -0.001 0.000 1.124 664 E CA 1.005 57.405 56.400 -0.000 0.000 0.732 664 E CB -2.200 27.500 29.700 -0.000 0.000 1.286 664 E HN -0.504 7.658 8.360 -0.013 0.190 0.394 665 L N -2.123 119.102 121.223 0.003 0.000 2.319 665 L HA 0.480 nan 4.340 nan 0.000 0.267 665 L C -1.815 175.070 176.870 0.026 0.000 1.011 665 L CA -2.444 52.391 54.840 -0.009 0.000 0.818 665 L CB 1.572 43.625 42.059 -0.009 0.000 1.316 665 L HN -0.624 7.612 8.230 0.009 0.000 0.432 666 P HA 0.306 nan 4.420 nan 0.000 0.282 666 P C -2.609 174.779 177.300 0.147 0.000 1.287 666 P CA -1.383 61.789 63.100 0.120 0.000 0.792 666 P CB -0.380 31.451 31.700 0.218 0.000 1.163 667 P HA 0.018 nan 4.420 nan 0.000 0.272 667 P C -2.097 175.364 177.300 0.268 0.000 1.223 667 P CA 0.028 63.235 63.100 0.178 0.000 0.784 667 P CB 0.867 32.671 31.700 0.174 0.000 0.923 668 V N -0.965 119.062 119.914 0.188 0.000 2.888 668 V HA 0.504 nan 4.120 nan 0.000 0.309 668 V C -1.351 174.827 176.094 0.139 0.000 1.114 668 V CA -0.844 61.619 62.300 0.271 0.000 0.940 668 V CB 3.789 35.740 31.823 0.213 0.000 1.021 668 V HN 0.124 8.361 8.190 0.079 0.000 0.426 669 H N 3.477 122.675 119.070 0.212 0.000 2.524 669 H HA 1.063 nan 4.556 nan 0.000 0.353 669 H C -1.378 174.090 175.328 0.233 0.000 1.136 669 H CA -1.408 54.765 56.048 0.208 0.000 1.193 669 H CB 2.863 32.736 29.762 0.185 0.000 1.558 669 H HN 0.337 8.903 8.280 0.478 0.000 0.515 670 L N -3.627 117.801 121.223 0.341 0.000 2.765 670 L HA 0.938 nan 4.340 nan 0.000 0.263 670 L C -2.670 174.432 176.870 0.386 0.000 1.068 670 L CA -0.882 54.147 54.840 0.315 0.000 0.903 670 L CB 3.088 45.248 42.059 0.170 0.000 1.512 670 L HN 0.706 9.130 8.230 0.324 0.000 0.404 671 F N -5.302 114.685 119.950 0.062 0.000 2.668 671 F HA 0.815 nan 4.527 nan 0.000 0.309 671 F C -2.720 172.857 175.800 -0.370 0.000 1.117 671 F CA -1.430 56.476 58.000 -0.156 0.000 0.951 671 F CB 3.628 42.605 39.000 -0.039 0.000 1.323 671 F HN 0.256 8.489 8.300 -0.111 0.000 0.451 672 E N 0.312 120.041 120.200 -0.784 0.000 2.304 672 E HA 0.740 nan 4.350 nan 0.000 0.277 672 E C -2.266 174.053 176.600 -0.469 0.000 0.898 672 E CA -0.474 55.529 56.400 -0.662 0.000 0.764 672 E CB 3.983 33.338 29.700 -0.574 0.000 1.216 672 E HN -0.053 7.748 8.360 -0.933 0.000 0.419 673 L N 2.540 123.593 121.223 -0.283 0.000 2.327 673 L HA 0.792 nan 4.340 nan 0.000 0.258 673 L C -1.886 174.730 176.870 -0.425 0.000 1.024 673 L CA -2.063 52.649 54.840 -0.214 0.000 0.825 673 L CB 4.448 46.530 42.059 0.037 0.000 1.386 673 L HN 1.065 9.024 8.230 -0.272 0.108 0.417 674 R N 0.987 121.285 120.500 -0.337 0.000 2.265 674 R HA 0.415 nan 4.340 nan 0.000 0.328 674 R C -1.470 174.772 176.300 -0.097 0.000 0.969 674 R CA -0.909 54.992 56.100 -0.331 0.000 0.832 674 R CB 1.195 31.359 30.300 -0.227 0.000 1.139 674 R HN -0.103 8.054 8.270 -0.188 0.000 0.457 675 L N 6.352 127.547 121.223 -0.048 0.000 2.416 675 L HA 0.474 nan 4.340 nan 0.000 0.262 675 L C -1.385 175.486 176.870 0.002 0.000 1.093 675 L CA -3.052 51.780 54.840 -0.014 0.000 0.801 675 L CB 0.066 42.113 42.059 -0.020 0.000 1.191 675 L HN 0.276 8.486 8.230 -0.034 0.000 0.459 676 P HA 0.120 nan 4.420 nan 0.000 0.286 676 P C -1.557 175.755 177.300 0.021 0.000 1.269 676 P CA -0.560 62.543 63.100 0.005 0.000 0.787 676 P CB 0.183 31.887 31.700 0.006 0.000 0.920 677 L N 3.568 124.809 121.223 0.030 0.000 2.473 677 L HA 0.115 nan 4.340 nan 0.000 0.268 677 L C -0.179 176.727 176.870 0.059 0.000 1.215 677 L CA -1.130 53.751 54.840 0.068 0.000 0.823 677 L CB -1.000 41.120 42.059 0.103 0.000 1.099 677 L HN 0.109 8.347 8.230 0.012 0.000 0.483 678 P HA -0.136 nan 4.420 nan 0.000 0.270 678 P C -1.945 175.388 177.300 0.054 0.000 1.221 678 P CA 0.172 63.306 63.100 0.057 0.000 0.788 678 P CB 0.363 32.099 31.700 0.060 0.000 0.904 679 D N 0.896 121.321 120.400 0.042 0.000 2.408 679 D HA 0.137 nan 4.640 nan 0.000 0.243 679 D C -1.293 175.029 176.300 0.038 0.000 1.075 679 D CA -0.353 53.669 54.000 0.036 0.000 0.832 679 D CB 1.549 42.366 40.800 0.029 0.000 1.162 679 D HN 0.089 8.482 8.370 0.038 0.000 0.515 680 K N 4.539 124.963 120.400 0.040 0.000 2.450 680 K HA 0.436 nan 4.320 nan 0.000 0.257 680 K C -1.918 174.705 176.600 0.037 0.000 0.953 680 K CA -2.154 54.156 56.287 0.039 0.000 0.844 680 K CB 1.399 33.927 32.500 0.046 0.000 1.103 680 K HN 0.217 8.492 8.250 0.041 0.000 0.429 681 P HA 0.120 nan 4.420 nan 0.000 0.274 681 P C -1.435 175.891 177.300 0.044 0.000 1.256 681 P CA -0.643 62.479 63.100 0.036 0.000 0.795 681 P CB 0.786 32.506 31.700 0.034 0.000 1.038 682 L N 0.208 121.461 121.223 0.051 0.000 2.281 682 L HA 0.085 nan 4.340 nan 0.000 0.285 682 L C -0.514 176.406 176.870 0.084 0.000 1.074 682 L CA -0.183 54.699 54.840 0.071 0.000 0.817 682 L CB 0.240 42.346 42.059 0.078 0.000 1.168 682 L HN -0.028 8.230 8.230 0.046 0.000 0.434 683 A N 7.474 130.344 122.820 0.084 0.000 2.399 683 A HA 0.207 nan 4.320 nan 0.000 0.327 683 A C -1.435 176.209 177.584 0.100 0.000 1.367 683 A CA -1.142 50.943 52.037 0.080 0.000 0.842 683 A CB 0.183 19.206 19.000 0.039 0.000 1.142 683 A HN 0.169 8.363 8.150 0.073 0.000 0.495 684 F N 2.944 122.901 119.950 0.012 0.000 2.538 684 F HA -0.117 nan 4.527 nan 0.000 0.371 684 F C -0.302 175.506 175.800 0.013 0.000 1.087 684 F CA 0.315 58.322 58.000 0.011 0.000 1.250 684 F CB 0.973 39.979 39.000 0.010 0.000 1.110 684 F HN 0.117 8.580 8.300 0.272 0.000 0.570 685 Q N 7.200 126.482 119.800 -0.862 0.000 2.401 685 Q HA 0.055 nan 4.340 nan 0.000 0.260 685 Q C -1.354 174.124 176.000 -0.870 0.000 1.034 685 Q CA -1.091 54.352 55.803 -0.600 0.000 0.737 685 Q CB 1.225 29.773 28.738 -0.316 0.000 1.227 685 Q HN 0.125 7.776 8.270 -1.031 0.000 0.488 686 D N 4.727 124.732 120.400 -0.658 0.000 2.451 686 D HA -0.011 nan 4.640 nan 0.000 0.254 686 D C -1.162 175.022 176.300 -0.193 0.000 1.204 686 D CA -0.648 53.149 54.000 -0.339 0.000 0.896 686 D CB 0.528 41.329 40.800 0.002 0.000 1.136 686 D HN 0.098 8.218 8.370 -0.416 0.000 0.499 687 P HA 0.012 nan 4.420 nan 0.000 0.269 687 P C -1.008 176.278 177.300 -0.023 0.000 1.209 687 P CA -0.427 62.630 63.100 -0.072 0.000 0.776 687 P CB 1.056 32.731 31.700 -0.040 0.000 0.876 688 S N 2.022 117.720 115.700 -0.004 0.000 2.549 688 S HA -0.024 nan 4.470 nan 0.000 0.283 688 S C 0.707 175.298 174.600 -0.016 0.000 1.320 688 S CA 0.486 58.705 58.200 0.031 0.000 1.058 688 S CB 0.609 63.859 63.200 0.084 0.000 0.882 688 S HN 0.409 8.714 8.310 -0.010 0.000 0.498 689 R N 5.261 125.693 120.500 -0.114 0.000 2.334 689 R HA 0.178 nan 4.340 nan 0.000 0.220 689 R C -0.314 175.778 176.300 -0.347 0.000 0.917 689 R CA -1.770 54.197 56.100 -0.221 0.000 1.073 689 R CB -0.655 29.485 30.300 -0.267 0.000 1.056 689 R HN 0.683 8.885 8.270 -0.114 0.000 0.506 690 H N 1.195 120.282 119.070 0.028 0.000 2.472 690 H HA 0.335 nan 4.556 nan 0.000 0.338 690 H C -2.057 173.297 175.328 0.042 0.000 1.133 690 H CA -2.582 53.483 56.048 0.027 0.000 1.216 690 H CB 0.599 30.373 29.762 0.021 0.000 1.497 690 H HN -0.571 7.606 8.280 0.001 0.104 0.500 691 P HA -0.143 nan 4.420 nan 0.000 0.265 691 P C -0.987 176.416 177.300 0.171 0.000 1.187 691 P CA -0.083 63.099 63.100 0.137 0.000 0.766 691 P CB 0.641 32.401 31.700 0.100 0.000 0.820 692 A N 2.013 124.969 122.820 0.227 0.000 2.296 692 A HA 0.332 nan 4.320 nan 0.000 0.264 692 A C -1.156 176.666 177.584 0.396 0.000 1.097 692 A CA -0.882 51.323 52.037 0.279 0.000 0.811 692 A CB 0.995 20.143 19.000 0.247 0.000 1.072 692 A HN -0.013 8.280 8.150 0.239 0.000 0.495 693 A N 0.309 123.383 122.820 0.422 0.000 2.331 693 A HA 0.511 nan 4.320 nan 0.000 0.320 693 A C -1.977 176.009 177.584 0.671 0.000 1.138 693 A CA -1.090 51.227 52.037 0.466 0.000 0.790 693 A CB 1.912 21.104 19.000 0.320 0.000 1.206 693 A HN 0.659 8.915 8.150 0.348 0.102 0.470 694 F N 0.828 120.875 119.950 0.161 0.000 2.450 694 F HA 0.800 nan 4.527 nan 0.000 0.328 694 F C 0.138 176.068 175.800 0.217 0.000 1.068 694 F CA -2.061 56.036 58.000 0.162 0.000 1.007 694 F CB 2.351 41.402 39.000 0.084 0.000 1.251 694 F HN 0.118 8.780 8.300 0.603 0.000 0.492 695 R N -0.616 120.137 120.500 0.422 0.000 2.725 695 R HA 0.255 nan 4.340 nan 0.000 0.254 695 R C -2.916 173.578 176.300 0.324 0.000 1.076 695 R CA -0.018 56.293 56.100 0.352 0.000 0.940 695 R CB 4.049 34.603 30.300 0.423 0.000 1.260 695 R HN 0.166 8.657 8.270 0.367 0.000 0.466 696 D N 2.778 123.349 120.400 0.285 0.000 2.342 696 D HA 1.027 nan 4.640 nan 0.000 0.243 696 D C -1.586 174.869 176.300 0.259 0.000 1.019 696 D CA -0.617 53.563 54.000 0.301 0.000 0.864 696 D CB 3.617 44.586 40.800 0.281 0.000 1.315 696 D HN -0.291 8.227 8.370 0.247 0.000 0.468 697 L N -4.426 116.961 121.223 0.273 0.000 2.591 697 L HA 0.765 nan 4.340 nan 0.000 0.257 697 L C -2.543 174.446 176.870 0.198 0.000 0.935 697 L CA -0.648 54.314 54.840 0.204 0.000 0.873 697 L CB 4.142 46.307 42.059 0.177 0.000 1.397 697 L HN 0.432 8.866 8.230 0.341 0.000 0.414 698 A N 0.539 123.432 122.820 0.121 0.000 2.340 698 A HA 0.791 nan 4.320 nan 0.000 0.331 698 A C -1.628 176.014 177.584 0.096 0.000 1.140 698 A CA -1.885 50.195 52.037 0.071 0.000 0.801 698 A CB 2.303 21.297 19.000 -0.011 0.000 1.234 698 A HN 0.576 8.670 8.150 0.108 0.121 0.469 699 V N 1.593 121.565 119.914 0.097 0.000 2.540 699 V HA 0.458 nan 4.120 nan 0.000 0.302 699 V C -0.811 175.279 176.094 -0.006 0.000 1.035 699 V CA -1.225 61.103 62.300 0.047 0.000 0.873 699 V CB 2.517 34.350 31.823 0.016 0.000 0.992 699 V HN -0.005 8.246 8.190 0.102 0.000 0.428 700 V N 6.791 126.716 119.914 0.019 0.000 2.432 700 V HA 0.638 nan 4.120 nan 0.000 0.275 700 V C -1.164 174.959 176.094 0.048 0.000 1.043 700 V CA -0.996 61.330 62.300 0.044 0.000 0.925 700 V CB -0.357 31.507 31.823 0.069 0.000 0.985 700 V HN 0.483 8.589 8.190 0.052 0.115 0.466 701 V N 5.850 125.775 119.914 0.019 0.000 2.841 701 V HA 0.520 nan 4.120 nan 0.000 0.310 701 V C -2.604 173.515 176.094 0.042 0.000 1.090 701 V CA -3.215 59.063 62.300 -0.037 0.000 0.930 701 V CB 4.400 36.006 31.823 -0.362 0.000 1.014 701 V HN 1.179 9.386 8.190 0.028 0.000 0.425 702 P HA 0.070 nan 4.420 nan 0.000 0.267 702 P C 0.285 177.504 177.300 -0.135 0.000 1.209 702 P CA -0.079 62.862 63.100 -0.265 0.000 0.763 702 P CB 0.039 31.632 31.700 -0.177 0.000 0.816 703 A N 6.472 129.196 122.820 -0.161 0.000 1.935 703 A HA -0.390 nan 4.320 nan 0.000 0.224 703 A C -0.568 176.988 177.584 -0.047 0.000 1.324 703 A CA 5.039 57.025 52.037 -0.085 0.000 0.686 703 A CB -2.643 16.307 19.000 -0.082 0.000 0.837 703 A HN 0.520 8.396 8.150 -0.251 0.124 0.481 704 P HA -0.095 nan 4.420 nan 0.000 0.222 704 P C -0.276 177.031 177.300 0.012 0.000 1.147 704 P CA 0.644 63.736 63.100 -0.015 0.000 0.790 704 P CB -0.248 31.442 31.700 -0.018 0.000 0.780 705 T N 5.088 119.657 114.554 0.026 0.000 2.867 705 T HA 0.133 nan 4.350 nan 0.000 0.297 705 T C -1.651 173.074 174.700 0.042 0.000 0.989 705 T CA 0.283 62.420 62.100 0.062 0.000 1.159 705 T CB -0.805 68.138 68.868 0.126 0.000 0.928 705 T HN 0.096 8.200 8.240 0.012 0.143 0.538 706 P HA 0.152 nan 4.420 nan 0.000 0.271 706 P C 0.042 177.373 177.300 0.051 0.000 1.216 706 P CA -0.545 62.593 63.100 0.062 0.000 0.771 706 P CB 0.949 32.679 31.700 0.050 0.000 0.864 707 Y N 6.631 126.942 120.300 0.017 0.000 2.151 707 Y HA -0.490 nan 4.550 nan 0.000 0.284 707 Y C 0.928 176.862 175.900 0.055 0.000 1.166 707 Y CA 3.722 61.836 58.100 0.023 0.000 1.163 707 Y CB -0.222 38.246 38.460 0.014 0.000 0.974 707 Y HN 0.369 8.787 8.280 0.230 0.000 0.511 708 G N -2.610 106.030 108.800 -0.267 0.000 2.450 708 G HA2 -0.501 nan 3.960 nan 0.000 0.220 708 G HA3 -0.501 nan 3.960 nan 0.000 0.220 708 G C 1.073 175.829 174.900 -0.241 0.000 1.130 708 G CA 1.689 46.604 45.100 -0.307 0.000 0.760 708 G HN 0.299 8.616 8.290 0.053 0.005 0.557 709 E N 1.363 121.483 120.200 -0.133 0.000 2.107 709 E HA -0.202 nan 4.350 nan 0.000 0.191 709 E C 2.295 178.857 176.600 -0.063 0.000 0.982 709 E CA 2.582 58.949 56.400 -0.056 0.000 0.809 709 E CB 0.089 29.806 29.700 0.027 0.000 0.756 709 E HN -0.565 7.614 8.360 -0.094 0.124 0.459 710 V N 0.632 120.470 119.914 -0.127 0.000 2.295 710 V HA -0.439 nan 4.120 nan 0.000 0.246 710 V C 1.723 177.693 176.094 -0.206 0.000 1.049 710 V CA 4.455 66.669 62.300 -0.144 0.000 1.024 710 V CB -0.902 30.817 31.823 -0.174 0.000 0.648 710 V HN -0.608 7.486 8.190 -0.159 0.000 0.447 711 E N -0.606 119.400 120.200 -0.322 0.000 2.097 711 E HA -0.481 nan 4.350 nan 0.000 0.196 711 E C 2.012 178.483 176.600 -0.215 0.000 1.000 711 E CA 3.610 59.824 56.400 -0.309 0.000 0.804 711 E CB -0.110 29.320 29.700 -0.450 0.000 0.740 711 E HN -0.035 8.041 8.360 -0.474 0.000 0.454 712 A N -0.990 121.727 122.820 -0.172 0.000 1.933 712 A HA -0.211 nan 4.320 nan 0.000 0.218 712 A C 2.050 179.582 177.584 -0.087 0.000 1.175 712 A CA 2.938 54.911 52.037 -0.107 0.000 0.628 712 A CB -0.763 18.189 19.000 -0.079 0.000 0.814 712 A HN -0.273 7.754 8.150 -0.198 0.004 0.444 713 L N -0.861 120.316 121.223 -0.077 0.000 2.005 713 L HA -0.365 nan 4.340 nan 0.000 0.207 713 L C 1.938 178.762 176.870 -0.076 0.000 1.072 713 L CA 3.266 58.082 54.840 -0.040 0.000 0.744 713 L CB 0.211 42.292 42.059 0.037 0.000 0.895 713 L HN -0.550 7.519 8.230 -0.085 0.110 0.433 714 V N -1.197 118.624 119.914 -0.156 0.000 2.332 714 V HA -0.572 nan 4.120 nan 0.000 0.248 714 V C 2.069 178.075 176.094 -0.146 0.000 1.055 714 V CA 4.220 66.398 62.300 -0.203 0.000 1.038 714 V CB -1.103 30.444 31.823 -0.461 0.000 0.651 714 V HN 0.130 8.204 8.190 -0.193 0.000 0.450 715 R N -0.905 119.505 120.500 -0.151 0.000 2.070 715 R HA -0.424 nan 4.340 nan 0.000 0.233 715 R C 2.070 178.331 176.300 -0.065 0.000 1.137 715 R CA 3.611 59.649 56.100 -0.103 0.000 0.945 715 R CB -0.244 30.000 30.300 -0.093 0.000 0.845 715 R HN -0.124 8.036 8.270 -0.180 0.001 0.430 716 E N -2.339 117.826 120.200 -0.058 0.000 2.209 716 E HA -0.235 nan 4.350 nan 0.000 0.196 716 E C 1.808 178.389 176.600 -0.032 0.000 0.993 716 E CA 2.523 58.898 56.400 -0.042 0.000 0.819 716 E CB -0.051 29.627 29.700 -0.037 0.000 0.745 716 E HN -0.076 8.134 8.360 -0.067 0.110 0.477 717 A N -2.238 120.566 122.820 -0.027 0.000 2.030 717 A HA 0.111 nan 4.320 nan 0.000 0.215 717 A C 1.140 178.735 177.584 0.018 0.000 1.164 717 A CA 1.219 53.251 52.037 -0.009 0.000 0.697 717 A CB -0.058 18.939 19.000 -0.005 0.000 0.827 717 A HN -0.261 7.748 8.150 -0.039 0.118 0.457 718 A N -2.449 120.392 122.820 0.035 0.000 2.139 718 A HA -0.211 nan 4.320 nan 0.000 0.221 718 A C -0.091 177.588 177.584 0.160 0.000 1.159 718 A CA 1.151 53.274 52.037 0.142 0.000 0.662 718 A CB 0.221 19.270 19.000 0.082 0.000 0.796 718 A HN -0.237 7.820 8.150 -0.003 0.091 0.463 719 G N -2.935 105.887 108.800 0.036 0.000 2.685 719 G HA2 -0.207 nan 3.960 nan 0.000 0.387 719 G HA3 -0.207 nan 3.960 nan 0.000 0.387 719 G C -2.188 172.667 174.900 -0.076 0.000 1.324 719 G CA -0.631 44.445 45.100 -0.039 0.000 0.878 719 G HN -0.809 7.437 8.290 0.008 0.049 0.527 720 P HA 0.028 nan 4.420 nan 0.000 0.233 720 P C -0.951 176.329 177.300 -0.034 0.000 1.167 720 P CA 1.660 64.642 63.100 -0.196 0.000 0.770 720 P CB 0.188 31.687 31.700 -0.334 0.000 0.837 721 Y N -3.909 116.430 120.300 0.065 0.000 2.468 721 Y HA 0.147 nan 4.550 nan 0.000 0.268 721 Y C -1.186 174.785 175.900 0.118 0.000 1.177 721 Y CA -3.214 54.947 58.100 0.101 0.000 1.265 721 Y CB -0.906 37.656 38.460 0.170 0.000 1.103 721 Y HN -0.118 8.040 8.280 -0.118 0.051 0.522 722 L N -0.003 121.311 121.223 0.150 0.000 2.367 722 L HA -0.066 nan 4.340 nan 0.000 0.275 722 L C -0.257 176.558 176.870 -0.092 0.000 1.129 722 L CA 0.346 55.118 54.840 -0.113 0.000 0.839 722 L CB 0.949 42.913 42.059 -0.160 0.000 1.133 722 L HN -0.713 7.523 8.230 0.115 0.063 0.453 723 E N 6.972 127.075 120.200 -0.162 0.000 2.228 723 E HA 0.178 nan 4.350 nan 0.000 0.197 723 E C 0.043 176.568 176.600 -0.125 0.000 0.909 723 E CA 0.445 56.780 56.400 -0.109 0.000 0.911 723 E CB 1.635 31.277 29.700 -0.096 0.000 0.887 723 E HN 0.979 9.169 8.360 -0.283 0.000 0.481 724 S N -1.713 113.878 115.700 -0.182 0.000 2.549 724 S HA 0.337 nan 4.470 nan 0.000 0.280 724 S C -2.599 171.918 174.600 -0.137 0.000 1.109 724 S CA -0.695 57.424 58.200 -0.136 0.000 0.905 724 S CB 3.384 66.497 63.200 -0.145 0.000 1.081 724 S HN -0.567 7.589 8.310 -0.256 0.000 0.477 725 L N 0.805 122.007 121.223 -0.035 0.000 2.476 725 L HA 0.716 nan 4.340 nan 0.000 0.269 725 L C -2.619 174.362 176.870 0.186 0.000 0.965 725 L CA -0.481 54.389 54.840 0.051 0.000 0.845 725 L CB 2.571 44.629 42.059 -0.002 0.000 1.259 725 L HN 0.093 8.320 8.230 -0.005 0.000 0.403 726 A N 6.375 129.380 122.820 0.308 0.000 2.486 726 A HA 0.554 nan 4.320 nan 0.000 0.300 726 A C -2.858 174.907 177.584 0.301 0.000 1.048 726 A CA -1.091 51.123 52.037 0.294 0.000 0.696 726 A CB 3.830 22.955 19.000 0.210 0.000 1.278 726 A HN 0.810 9.173 8.150 0.354 0.000 0.405 727 L N 2.325 123.589 121.223 0.069 0.000 2.260 727 L HA 0.457 nan 4.340 nan 0.000 0.289 727 L C -0.552 176.241 176.870 -0.128 0.000 1.057 727 L CA -0.686 53.968 54.840 -0.311 0.000 0.811 727 L CB 0.729 42.500 42.059 -0.479 0.000 1.184 727 L HN 0.180 8.461 8.230 0.086 0.000 0.429 728 F N 3.587 123.371 119.950 -0.276 0.000 2.720 728 F HA 0.400 nan 4.527 nan 0.000 0.301 728 F C -0.703 174.986 175.800 -0.186 0.000 1.103 728 F CA -1.300 56.599 58.000 -0.168 0.000 1.291 728 F CB 1.361 40.312 39.000 -0.081 0.000 1.086 728 F HN 0.416 8.272 8.300 -0.555 0.111 0.592 729 D N 0.848 120.886 120.400 -0.602 0.000 2.977 729 D HA 0.181 nan 4.640 nan 0.000 0.220 729 D C -2.568 173.508 176.300 -0.373 0.000 1.267 729 D CA 0.224 53.979 54.000 -0.408 0.000 0.884 729 D CB 3.750 44.304 40.800 -0.409 0.000 1.667 729 D HN -0.854 6.993 8.370 -0.872 0.000 0.536 730 L N 5.440 126.533 121.223 -0.216 0.000 2.345 730 L HA 0.560 nan 4.340 nan 0.000 0.274 730 L C -2.009 174.858 176.870 -0.005 0.000 0.999 730 L CA -0.333 54.413 54.840 -0.156 0.000 0.849 730 L CB 1.282 43.231 42.059 -0.183 0.000 1.220 730 L HN 0.125 8.256 8.230 -0.166 0.000 0.422 731 Y N 8.081 128.294 120.300 -0.144 0.000 2.477 731 Y HA 0.333 nan 4.550 nan 0.000 0.347 731 Y C -2.764 173.099 175.900 -0.061 0.000 0.981 731 Y CA -1.472 56.572 58.100 -0.094 0.000 1.033 731 Y CB 4.240 42.647 38.460 -0.089 0.000 1.245 731 Y HN 0.718 9.007 8.280 0.014 0.000 0.455 732 Q N 4.092 123.434 119.800 -0.763 0.000 2.331 732 Q HA 0.241 nan 4.340 nan 0.000 0.249 732 Q C -1.972 173.580 176.000 -0.747 0.000 0.913 732 Q CA -0.750 54.675 55.803 -0.630 0.000 0.874 732 Q CB 2.592 31.174 28.738 -0.260 0.000 1.384 732 Q HN 0.323 8.121 8.270 -0.787 0.000 0.427 733 G N 1.270 109.652 108.800 -0.698 0.000 2.360 733 G HA2 0.131 nan 3.960 nan 0.000 0.276 733 G HA3 0.131 nan 3.960 nan 0.000 0.276 733 G C -3.325 171.458 174.900 -0.195 0.000 1.256 733 G CA -0.134 44.739 45.100 -0.378 0.000 0.890 733 G HN -0.095 7.808 8.290 -0.646 0.000 0.486 734 P HA 0.407 nan 4.420 nan 0.000 0.275 734 P C -1.363 176.024 177.300 0.145 0.000 1.227 734 P CA -1.320 61.807 63.100 0.046 0.000 0.781 734 P CB -0.298 31.434 31.700 0.052 0.000 0.906 735 P HA 0.206 nan 4.420 nan 0.000 0.259 735 P C -0.730 176.581 177.300 0.017 0.000 1.530 735 P CA -1.051 62.076 63.100 0.045 0.000 1.022 735 P CB 0.095 31.819 31.700 0.039 0.000 1.514 736 L N 2.504 123.736 121.223 0.015 0.000 2.540 736 L HA -0.040 nan 4.340 nan 0.000 0.276 736 L C -0.715 176.124 176.870 -0.051 0.000 1.212 736 L CA -0.726 54.099 54.840 -0.025 0.000 0.893 736 L CB -0.341 41.686 42.059 -0.054 0.000 1.138 736 L HN -0.551 7.610 8.230 0.041 0.094 0.491 737 P HA -0.039 nan 4.420 nan 0.000 0.256 737 P C -0.906 176.394 177.300 0.001 0.000 1.173 737 P CA -0.054 62.953 63.100 -0.155 0.000 0.768 737 P CB -0.027 31.413 31.700 -0.433 0.000 0.758 738 E N 5.473 125.706 120.200 0.055 0.000 2.508 738 E HA -0.260 nan 4.350 nan 0.000 0.266 738 E C 1.016 177.750 176.600 0.224 0.000 1.010 738 E CA 1.290 57.747 56.400 0.096 0.000 0.955 738 E CB 0.026 29.751 29.700 0.041 0.000 0.946 738 E HN 0.231 8.601 8.360 0.017 0.000 0.454 739 G N 0.832 109.691 108.800 0.099 0.000 2.136 739 G HA2 -0.391 nan 3.960 nan 0.000 0.242 739 G HA3 -0.391 nan 3.960 nan 0.000 0.242 739 G C -1.376 173.430 174.900 -0.156 0.000 0.989 739 G CA 0.734 45.828 45.100 -0.010 0.000 0.682 739 G HN 0.624 8.938 8.290 0.039 0.000 0.522 740 H N -1.557 117.487 119.070 -0.043 0.000 2.928 740 H HA 0.709 nan 4.556 nan 0.000 0.371 740 H C -2.057 173.219 175.328 -0.086 0.000 1.186 740 H CA -1.286 54.738 56.048 -0.040 0.000 1.134 740 H CB 4.102 33.852 29.762 -0.019 0.000 1.824 740 H HN -0.816 7.524 8.280 0.145 0.027 0.554 741 K N -1.809 118.613 120.400 0.036 0.000 2.480 741 K HA 0.645 nan 4.320 nan 0.000 0.258 741 K C -1.476 175.110 176.600 -0.024 0.000 0.990 741 K CA -2.283 53.975 56.287 -0.048 0.000 0.857 741 K CB 4.039 36.498 32.500 -0.068 0.000 1.384 741 K HN 1.078 9.258 8.250 0.062 0.107 0.446 742 S N -0.979 114.700 115.700 -0.035 0.000 2.500 742 S HA 0.772 nan 4.470 nan 0.000 0.301 742 S C -1.134 173.409 174.600 -0.095 0.000 1.092 742 S CA -1.390 56.794 58.200 -0.027 0.000 1.030 742 S CB 2.394 65.610 63.200 0.027 0.000 1.031 742 S HN 0.968 9.155 8.310 -0.047 0.094 0.483 743 L N 2.415 123.564 121.223 -0.122 0.000 2.316 743 L HA 0.515 nan 4.340 nan 0.000 0.280 743 L C -1.218 175.388 176.870 -0.440 0.000 1.006 743 L CA -1.300 53.371 54.840 -0.281 0.000 0.836 743 L CB 1.180 43.162 42.059 -0.129 0.000 1.221 743 L HN 0.651 8.845 8.230 -0.060 0.000 0.418 744 A N 4.488 126.872 122.820 -0.725 0.000 2.366 744 A HA 0.567 nan 4.320 nan 0.000 0.272 744 A C -1.621 175.301 177.584 -1.103 0.000 1.135 744 A CA -0.728 50.699 52.037 -1.017 0.000 0.804 744 A CB 1.259 19.151 19.000 -1.846 0.000 1.064 744 A HN 0.999 8.620 8.150 -0.701 0.108 0.499 745 F N 2.191 121.975 119.950 -0.277 0.000 2.547 745 F HA 0.434 nan 4.527 nan 0.000 0.316 745 F C -1.347 174.650 175.800 0.328 0.000 1.121 745 F CA -1.104 56.946 58.000 0.084 0.000 0.911 745 F CB 3.934 42.971 39.000 0.061 0.000 1.179 745 F HN 0.749 8.958 8.300 0.020 0.104 0.443 746 H N 3.288 122.706 119.070 0.579 0.000 2.552 746 H HA 0.550 nan 4.556 nan 0.000 0.311 746 H C -1.212 174.201 175.328 0.141 0.000 1.071 746 H CA -0.546 55.658 56.048 0.260 0.000 1.307 746 H CB 1.421 31.209 29.762 0.044 0.000 1.416 746 H HN 0.928 9.460 8.280 0.602 0.109 0.464 747 L N 3.869 125.200 121.223 0.180 0.000 2.319 747 L HA 0.713 nan 4.340 nan 0.000 0.267 747 L C -1.540 175.198 176.870 -0.221 0.000 1.011 747 L CA -0.860 53.937 54.840 -0.073 0.000 0.818 747 L CB 2.978 44.976 42.059 -0.102 0.000 1.316 747 L HN 1.020 9.396 8.230 0.243 0.000 0.432 748 R N -1.684 118.535 120.500 -0.469 0.000 2.510 748 R HA 0.482 nan 4.340 nan 0.000 0.287 748 R C -1.656 174.373 176.300 -0.452 0.000 1.084 748 R CA -0.357 55.494 56.100 -0.415 0.000 0.934 748 R CB 3.190 33.197 30.300 -0.488 0.000 1.201 748 R HN 0.083 8.007 8.270 -0.576 0.000 0.431 749 F N 3.315 123.285 119.950 0.035 0.000 2.443 749 F HA 0.833 nan 4.527 nan 0.000 0.335 749 F C -1.621 174.225 175.800 0.077 0.000 1.104 749 F CA -1.537 56.512 58.000 0.083 0.000 1.013 749 F CB 2.951 42.025 39.000 0.123 0.000 1.136 749 F HN 1.013 9.397 8.300 0.321 0.108 0.470 750 R N 1.565 122.195 120.500 0.215 0.000 2.548 750 R HA 0.247 nan 4.340 nan 0.000 0.280 750 R C -2.448 173.862 176.300 0.017 0.000 1.061 750 R CA -0.980 55.193 56.100 0.121 0.000 0.915 750 R CB 3.612 33.961 30.300 0.081 0.000 1.210 750 R HN 0.655 9.068 8.270 0.238 0.000 0.442 751 H N 7.999 126.973 119.070 -0.159 0.000 2.488 751 H HA 0.374 nan 4.556 nan 0.000 0.322 751 H C -1.083 174.163 175.328 -0.137 0.000 1.078 751 H CA -2.657 53.169 56.048 -0.369 0.000 1.260 751 H CB 1.783 31.235 29.762 -0.517 0.000 1.425 751 H HN 0.326 8.655 8.280 0.082 0.000 0.471 752 P HA -0.266 nan 4.420 nan 0.000 0.213 752 P C 1.357 178.815 177.300 0.264 0.000 1.170 752 P CA 2.269 65.424 63.100 0.090 0.000 0.902 752 P CB 0.707 32.393 31.700 -0.023 0.000 0.789 753 K N -3.004 117.585 120.400 0.315 0.000 2.167 753 K HA -0.136 nan 4.320 nan 0.000 0.203 753 K C -0.196 176.350 176.600 -0.089 0.000 1.052 753 K CA 1.103 57.511 56.287 0.201 0.000 0.956 753 K CB 0.457 33.059 32.500 0.172 0.000 0.735 753 K HN 0.251 8.709 8.250 0.346 0.000 0.451 754 R N -5.512 114.791 120.500 -0.328 0.000 2.766 754 R HA 0.259 nan 4.340 nan 0.000 0.270 754 R C -1.674 174.267 176.300 -0.600 0.000 1.035 754 R CA -1.867 53.740 56.100 -0.821 0.000 0.911 754 R CB 2.667 32.608 30.300 -0.598 0.000 1.243 754 R HN -0.778 7.503 8.270 0.019 0.000 0.460 755 T N 0.936 115.205 114.554 -0.475 0.000 2.918 755 T HA 0.028 nan 4.350 nan 0.000 0.302 755 T C -0.288 174.289 174.700 -0.205 0.000 1.045 755 T CA 0.712 62.692 62.100 -0.199 0.000 1.114 755 T CB 0.281 69.090 68.868 -0.099 0.000 0.965 755 T HN 0.024 7.957 8.240 -0.512 0.000 0.540 756 L N 1.661 122.827 121.223 -0.096 0.000 2.371 756 L HA 0.062 nan 4.340 nan 0.000 0.272 756 L C -0.001 176.838 176.870 -0.053 0.000 1.124 756 L CA -0.376 54.417 54.840 -0.077 0.000 0.816 756 L CB 0.773 42.831 42.059 -0.001 0.000 1.129 756 L HN 0.073 8.285 8.230 -0.030 0.000 0.448 757 R N 1.939 122.407 120.500 -0.054 0.000 2.441 757 R HA 0.057 nan 4.340 nan 0.000 0.284 757 R C 1.173 177.458 176.300 -0.026 0.000 1.070 757 R CA -1.156 54.920 56.100 -0.039 0.000 1.047 757 R CB 0.500 30.777 30.300 -0.037 0.000 1.016 757 R HN 0.302 8.929 8.270 -0.061 -0.395 0.477 758 D N 5.736 126.123 120.400 -0.022 0.000 2.158 758 D HA -0.336 nan 4.640 nan 0.000 0.197 758 D C 1.666 177.947 176.300 -0.033 0.000 0.995 758 D CA 4.098 58.084 54.000 -0.023 0.000 0.846 758 D CB -0.290 40.501 40.800 -0.014 0.000 0.941 758 D HN 0.558 8.916 8.370 -0.021 0.000 0.456 759 E N -1.603 118.582 120.200 -0.025 0.000 2.204 759 E HA -0.225 nan 4.350 nan 0.000 0.195 759 E C 2.517 179.099 176.600 -0.028 0.000 0.990 759 E CA 2.949 59.335 56.400 -0.024 0.000 0.821 759 E CB -0.604 29.087 29.700 -0.015 0.000 0.750 759 E HN 0.615 8.946 8.360 -0.021 0.017 0.477 760 E N 0.122 120.310 120.200 -0.021 0.000 2.046 760 E HA -0.235 nan 4.350 nan 0.000 0.190 760 E C 2.501 179.056 176.600 -0.075 0.000 0.982 760 E CA 2.954 59.355 56.400 0.001 0.000 0.800 760 E CB 0.066 29.800 29.700 0.056 0.000 0.756 760 E HN -0.043 8.146 8.360 -0.020 0.160 0.449 761 V N 0.901 120.732 119.914 -0.139 0.000 2.270 761 V HA -0.410 nan 4.120 nan 0.000 0.245 761 V C 2.204 178.117 176.094 -0.302 0.000 1.043 761 V CA 4.707 66.796 62.300 -0.353 0.000 1.014 761 V CB -0.948 30.713 31.823 -0.271 0.000 0.645 761 V HN -0.458 7.681 8.190 -0.085 0.000 0.447 762 E N -1.636 118.474 120.200 -0.150 0.000 2.033 762 E HA -0.425 nan 4.350 nan 0.000 0.199 762 E C 2.398 178.949 176.600 -0.083 0.000 1.011 762 E CA 3.081 59.425 56.400 -0.093 0.000 0.815 762 E CB -0.741 28.930 29.700 -0.048 0.000 0.755 762 E HN 0.351 8.538 8.360 -0.114 0.105 0.451 763 E N -1.041 119.119 120.200 -0.067 0.000 2.118 763 E HA -0.326 nan 4.350 nan 0.000 0.195 763 E C 2.110 178.675 176.600 -0.059 0.000 0.992 763 E CA 2.903 59.275 56.400 -0.046 0.000 0.804 763 E CB -0.087 29.596 29.700 -0.029 0.000 0.741 763 E HN -0.177 8.029 8.360 -0.061 0.117 0.458 764 A N -1.645 121.112 122.820 -0.105 0.000 1.898 764 A HA -0.181 nan 4.320 nan 0.000 0.216 764 A C 2.365 179.900 177.584 -0.082 0.000 1.181 764 A CA 2.974 54.946 52.037 -0.109 0.000 0.620 764 A CB -0.457 18.430 19.000 -0.188 0.000 0.819 764 A HN -0.296 7.693 8.150 -0.132 0.082 0.442 765 V N -6.395 113.439 119.914 -0.133 0.000 3.141 765 V HA -0.198 nan 4.120 nan 0.000 0.265 765 V C 1.861 177.961 176.094 0.009 0.000 1.126 765 V CA 2.746 65.035 62.300 -0.018 0.000 1.141 765 V CB -1.504 30.313 31.823 -0.010 0.000 0.743 765 V HN 0.362 8.242 8.190 -0.202 0.188 0.492 766 S N 1.671 117.364 115.700 -0.012 0.000 2.395 766 S HA -0.074 nan 4.470 nan 0.000 0.225 766 S C 1.727 176.331 174.600 0.006 0.000 1.027 766 S CA 3.866 62.066 58.200 0.000 0.000 0.965 766 S CB -0.368 62.828 63.200 -0.008 0.000 0.812 766 S HN -0.074 8.052 8.310 -0.037 0.162 0.482 767 R N 0.949 121.449 120.500 0.001 0.000 2.120 767 R HA -0.183 nan 4.340 nan 0.000 0.234 767 R C 2.314 178.622 176.300 0.013 0.000 1.123 767 R CA 2.215 58.316 56.100 0.003 0.000 0.975 767 R CB -0.967 29.331 30.300 -0.003 0.000 0.866 767 R HN -0.629 7.538 8.270 -0.007 0.099 0.446 768 V N -0.100 119.830 119.914 0.026 0.000 2.283 768 V HA -0.279 nan 4.120 nan 0.000 0.243 768 V C 1.642 177.756 176.094 0.034 0.000 1.039 768 V CA 4.187 66.505 62.300 0.030 0.000 1.016 768 V CB -0.835 31.016 31.823 0.047 0.000 0.650 768 V HN -0.558 7.631 8.190 0.031 0.020 0.449 769 A N -1.639 121.204 122.820 0.038 0.000 1.917 769 A HA -0.434 nan 4.320 nan 0.000 0.219 769 A C 1.953 179.561 177.584 0.039 0.000 1.182 769 A CA 3.286 55.349 52.037 0.044 0.000 0.633 769 A CB -0.899 18.125 19.000 0.040 0.000 0.819 769 A HN -0.373 7.800 8.150 0.038 0.000 0.448 770 E N -1.079 119.136 120.200 0.025 0.000 2.007 770 E HA -0.359 nan 4.350 nan 0.000 0.194 770 E C 2.109 178.717 176.600 0.013 0.000 0.999 770 E CA 2.868 59.277 56.400 0.015 0.000 0.811 770 E CB -0.007 29.696 29.700 0.006 0.000 0.762 770 E HN 0.118 8.476 8.360 0.021 0.014 0.450 771 A N -1.120 121.706 122.820 0.011 0.000 2.070 771 A HA -0.197 nan 4.320 nan 0.000 0.220 771 A C 2.540 180.138 177.584 0.023 0.000 1.159 771 A CA 2.583 54.623 52.037 0.005 0.000 0.656 771 A CB -0.642 18.359 19.000 0.001 0.000 0.800 771 A HN -0.452 7.705 8.150 0.011 0.000 0.453 772 L N -1.778 119.482 121.223 0.062 0.000 2.056 772 L HA -0.280 nan 4.340 nan 0.000 0.207 772 L C 1.934 178.880 176.870 0.125 0.000 1.078 772 L CA 2.500 57.428 54.840 0.147 0.000 0.749 772 L CB -0.474 41.668 42.059 0.138 0.000 0.901 772 L HN 0.030 8.162 8.230 0.051 0.129 0.433 773 R N -2.156 118.382 120.500 0.065 0.000 2.161 773 R HA -0.168 nan 4.340 nan 0.000 0.213 773 R C 2.689 178.970 176.300 -0.031 0.000 1.055 773 R CA 2.889 59.009 56.100 0.033 0.000 0.996 773 R CB -0.246 30.076 30.300 0.036 0.000 0.901 773 R HN -0.383 7.835 8.270 0.056 0.085 0.456 774 A N 0.011 122.807 122.820 -0.040 0.000 2.168 774 A HA -0.085 nan 4.320 nan 0.000 0.215 774 A C 0.892 178.403 177.584 -0.122 0.000 1.152 774 A CA 2.289 54.288 52.037 -0.063 0.000 0.716 774 A CB -0.592 18.382 19.000 -0.044 0.000 0.794 774 A HN 0.061 8.114 8.150 -0.017 0.087 0.465 775 R N -3.544 116.837 120.500 -0.199 0.000 2.312 775 R HA 0.135 nan 4.340 nan 0.000 0.205 775 R C -0.048 175.933 176.300 -0.531 0.000 0.904 775 R CA -1.031 54.845 56.100 -0.373 0.000 1.052 775 R CB 0.315 30.316 30.300 -0.497 0.000 1.014 775 R HN -0.289 7.840 8.270 -0.159 0.046 0.503 776 G N -1.086 107.507 108.800 -0.347 0.000 2.131 776 G HA2 -0.340 nan 3.960 nan 0.000 0.201 776 G HA3 -0.340 nan 3.960 nan 0.000 0.201 776 G C -0.716 174.114 174.900 -0.117 0.000 1.000 776 G CA -0.122 44.840 45.100 -0.230 0.000 0.680 776 G HN -0.242 7.780 8.290 -0.219 0.136 0.514 777 F N 0.442 120.410 119.950 0.030 0.000 2.432 777 F HA 0.215 nan 4.527 nan 0.000 0.329 777 F C -0.707 175.116 175.800 0.038 0.000 1.076 777 F CA -2.070 55.956 58.000 0.044 0.000 1.018 777 F CB 1.442 40.464 39.000 0.036 0.000 1.201 777 F HN -0.436 7.825 8.300 -0.065 0.000 0.489 778 G N -0.527 108.429 108.800 0.260 0.000 2.491 778 G HA2 0.103 nan 3.960 nan 0.000 0.327 778 G HA3 0.103 nan 3.960 nan 0.000 0.327 778 G C -2.060 172.906 174.900 0.110 0.000 1.189 778 G CA -1.404 43.779 45.100 0.137 0.000 0.956 778 G HN 0.146 8.615 8.290 0.297 0.000 0.491 779 L N 0.367 121.637 121.223 0.078 0.000 2.387 779 L HA 0.344 nan 4.340 nan 0.000 0.259 779 L C -0.306 176.597 176.870 0.055 0.000 1.050 779 L CA -2.126 52.755 54.840 0.069 0.000 0.922 779 L CB 0.773 42.872 42.059 0.066 0.000 1.280 779 L HN 0.009 8.279 8.230 0.066 0.000 0.449 780 R N 3.377 123.907 120.500 0.051 0.000 2.200 780 R HA -0.173 nan 4.340 nan 0.000 0.234 780 R C -0.077 176.251 176.300 0.047 0.000 1.127 780 R CA 1.008 57.133 56.100 0.043 0.000 0.989 780 R CB 0.404 30.727 30.300 0.039 0.000 0.869 780 R HN 0.489 8.791 8.270 0.054 0.000 0.459 781 G N -4.590 104.245 108.800 0.058 0.000 2.616 781 G HA2 0.166 nan 3.960 nan 0.000 0.294 781 G HA3 0.166 nan 3.960 nan 0.000 0.294 781 G C -3.012 171.941 174.900 0.087 0.000 1.489 781 G CA 0.252 45.393 45.100 0.068 0.000 0.836 781 G HN -0.855 7.434 8.290 0.064 0.040 0.527 782 L N 1.039 122.315 121.223 0.089 0.000 2.794 782 L HA 0.423 nan 4.340 nan 0.000 0.261 782 L C -1.696 175.231 176.870 0.095 0.000 0.989 782 L CA 0.281 55.182 54.840 0.101 0.000 0.900 782 L CB 3.453 45.563 42.059 0.085 0.000 1.473 782 L HN 0.050 8.327 8.230 0.079 0.000 0.414 783 D N 1.370 121.835 120.400 0.109 0.000 2.746 783 D HA -0.339 nan 4.640 nan 0.000 0.236 783 D C -1.100 175.258 176.300 0.097 0.000 1.129 783 D CA 1.228 55.286 54.000 0.096 0.000 0.691 783 D CB -0.695 40.143 40.800 0.063 0.000 1.077 783 D HN 0.295 8.743 8.370 0.130 0.000 0.432 784 T N 1.442 116.069 114.554 0.123 0.000 2.767 784 T HA 0.418 nan 4.350 nan 0.000 0.288 784 T C -1.511 173.263 174.700 0.124 0.000 0.963 784 T CA -1.525 60.643 62.100 0.113 0.000 1.019 784 T CB 0.978 69.922 68.868 0.128 0.000 0.923 784 T HN -0.501 7.827 8.240 0.148 0.000 0.468 785 P HA 0.000 nan 4.420 nan 0.000 0.216 785 P CA 0.000 63.145 63.100 0.076 0.000 0.800 785 P CB 0.000 31.723 31.700 0.038 0.000 0.726