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 2is4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDVSYLLDSL NDKQREAVAA PRSNLLVLAG AGSGKTRVLV HRIAWLMSVE DATA SEQUENCE NCSPYSIMAV TFTNKAAAEM RHRIGQLMGT SQGGMWVGTF HGLAHRLLRA DATA SEQUENCE HHMDANLPQD FQILDSEDQL RLLKRLIKAM NLDEKQWPPR QAMWYINSQK DATA SEQUENCE DEGLRPHHIX XXGNPVEQTW QKVYQAYQEA CDRAGLVDFA ELLLRAHELW DATA SEQUENCE LNKPHILQHY RERFTNILVD EFQDTNNIQY AWIRLLAGDT GKVMIVGDDD DATA SEQUENCE QSIYGWRGAQ VENIQRFLND FPGAETIRLE QNYRSTSNIL SAANALIENN DATA SEQUENCE NGRLGKKLWT DGADGEPISL YCAFNELDEA RFVVNRIKTW QDNGGALAEC DATA SEQUENCE AILYRSNAQS RVLEEALLQA SMPYRIYGGM RFFERQEIKD ALSYLRLIVN DATA SEQUENCE RNDDAAFERV VNTPTRGIGD RTLDVVRQTS RDRQLTLWQA CRELLQEKAL DATA SEQUENCE AGRAASALQR FMELIDALAQ ETADMPLHVQ TDRVIKDSGL RTMYEQEKGX DATA SEQUENCE XXQTRIENLE ELVTATRQFS XXXXXXXLMP LQAFLSHAXX XXXXXXXDTW DATA SEQUENCE QDAVQLMTLH SAKGLEFPQV FIVGMEEGMF PSQMSLDEGG RLEEERRLAY DATA SEQUENCE VGVTRAMQKL TLTYAETRRL YGKEVYHRPS RFIGELPEEC VEEVRLRXXV DATA SEQUENCE SRPVXXQR 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 0.000 176.300 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.526 32.600 -0.123 0.000 1.302 2 D N 1.990 122.296 120.400 -0.156 0.000 3.033 2 D HA 0.527 5.347 4.640 0.300 0.000 0.279 2 D C 1.567 177.996 176.300 0.215 0.000 1.500 2 D CA 1.195 55.164 54.000 -0.051 0.000 1.355 2 D CB -1.564 39.123 40.800 -0.190 0.000 1.182 2 D HN 2.197 nan 8.370 nan 0.000 0.593 3 V N 1.350 121.349 119.914 0.143 0.000 2.353 3 V HA -0.346 3.954 4.120 0.300 0.000 0.260 3 V C 2.919 179.166 176.094 0.254 0.000 1.091 3 V CA 3.786 66.194 62.300 0.181 0.000 1.088 3 V CB -1.008 30.840 31.823 0.042 0.000 0.672 3 V HN 1.017 nan 8.190 nan 0.000 0.455 4 S N -0.330 115.492 115.700 0.203 0.000 2.399 4 S HA -0.262 4.388 4.470 0.300 0.000 0.231 4 S C 2.040 176.776 174.600 0.226 0.000 1.022 4 S CA 1.732 60.042 58.200 0.182 0.000 0.983 4 S CB -1.016 62.258 63.200 0.123 0.000 0.803 4 S HN 1.206 nan 8.310 nan 0.000 0.480 5 Y N 0.785 121.110 120.300 0.041 0.000 2.561 5 Y HA 0.383 5.113 4.550 0.300 0.000 0.291 5 Y C 1.717 177.635 175.900 0.030 0.000 1.141 5 Y CA -0.092 58.024 58.100 0.027 0.000 1.303 5 Y CB -0.233 38.228 38.460 0.001 0.000 1.015 5 Y HN 0.144 nan 8.280 nan 0.000 0.547 6 L N 0.238 121.404 121.223 -0.095 0.000 2.209 6 L HA -0.009 4.511 4.340 0.300 0.000 0.207 6 L C 1.873 178.779 176.870 0.059 0.000 1.094 6 L CA 0.680 55.390 54.840 -0.216 0.000 0.790 6 L CB -0.081 42.000 42.059 0.037 0.000 0.932 6 L HN 0.358 nan 8.230 nan 0.000 0.447 7 L N -1.432 119.859 121.223 0.113 0.000 2.513 7 L HA 0.029 4.549 4.340 0.300 0.000 0.222 7 L C 1.800 178.706 176.870 0.060 0.000 1.096 7 L CA -0.119 54.776 54.840 0.093 0.000 0.857 7 L CB -0.281 41.847 42.059 0.116 0.000 1.026 7 L HN 0.130 nan 8.230 nan 0.000 0.469 8 D N 0.962 121.403 120.400 0.068 0.000 2.126 8 D HA -0.197 4.623 4.640 0.300 0.000 0.190 8 D C 2.304 178.617 176.300 0.021 0.000 1.001 8 D CA 2.151 56.182 54.000 0.052 0.000 0.841 8 D CB -0.035 40.804 40.800 0.066 0.000 0.949 8 D HN 0.334 nan 8.370 nan 0.000 0.446 9 S N 0.561 116.261 115.700 -0.000 0.000 2.368 9 S HA -0.065 4.585 4.470 0.300 0.000 0.224 9 S C 1.388 175.924 174.600 -0.107 0.000 1.029 9 S CA 0.126 58.289 58.200 -0.061 0.000 0.988 9 S CB -0.705 62.437 63.200 -0.096 0.000 0.838 9 S HN 0.197 nan 8.310 nan 0.000 0.462 10 L N 3.300 124.461 121.223 -0.102 0.000 2.529 10 L HA 0.131 4.651 4.340 0.300 0.000 0.287 10 L C 0.647 177.492 176.870 -0.042 0.000 1.241 10 L CA -0.269 54.502 54.840 -0.115 0.000 0.857 10 L CB -0.431 41.566 42.059 -0.104 0.000 1.113 10 L HN 0.440 nan 8.230 nan 0.000 0.504 11 N N -0.116 118.577 118.700 -0.012 0.000 2.538 11 N HA 0.154 5.074 4.740 0.300 0.000 0.292 11 N C 0.256 175.784 175.510 0.030 0.000 1.262 11 N CA -0.662 52.422 53.050 0.057 0.000 0.976 11 N CB 0.489 39.062 38.487 0.143 0.000 1.161 11 N HN 0.438 nan 8.380 nan 0.000 0.598 12 D N -0.107 120.324 120.400 0.051 0.000 2.321 12 D HA -0.205 4.615 4.640 0.300 0.000 0.194 12 D C 1.423 177.726 176.300 0.005 0.000 1.013 12 D CA 1.816 55.835 54.000 0.032 0.000 0.863 12 D CB -0.140 40.691 40.800 0.052 0.000 1.011 12 D HN 0.500 nan 8.370 nan 0.000 0.457 13 K N 0.465 120.875 120.400 0.016 0.000 2.152 13 K HA -0.119 4.381 4.320 0.300 0.000 0.206 13 K C 2.201 178.777 176.600 -0.039 0.000 1.048 13 K CA 0.923 57.206 56.287 -0.007 0.000 0.933 13 K CB -0.347 32.158 32.500 0.009 0.000 0.721 13 K HN 0.452 nan 8.250 nan 0.000 0.447 14 Q N 0.182 119.956 119.800 -0.043 0.000 2.079 14 Q HA -0.070 4.450 4.340 0.300 0.000 0.200 14 Q C 2.325 178.256 176.000 -0.114 0.000 0.974 14 Q CA 0.952 56.704 55.803 -0.085 0.000 0.840 14 Q CB -0.127 28.551 28.738 -0.100 0.000 0.898 14 Q HN 0.253 nan 8.270 nan 0.000 0.430 15 R N 0.885 121.326 120.500 -0.099 0.000 2.080 15 R HA -0.196 4.324 4.340 0.300 0.000 0.236 15 R C 2.249 178.442 176.300 -0.178 0.000 1.137 15 R CA 1.635 57.656 56.100 -0.132 0.000 0.943 15 R CB -0.234 30.019 30.300 -0.079 0.000 0.846 15 R HN 0.352 nan 8.270 nan 0.000 0.431 16 E N 0.021 120.150 120.200 -0.119 0.000 2.130 16 E HA -0.217 4.312 4.350 0.300 0.000 0.196 16 E C 1.734 178.246 176.600 -0.146 0.000 0.998 16 E CA 1.342 57.673 56.400 -0.115 0.000 0.806 16 E CB -0.000 29.663 29.700 -0.062 0.000 0.738 16 E HN 0.396 nan 8.360 nan 0.000 0.459 17 A N 0.222 122.958 122.820 -0.141 0.000 1.872 17 A HA -0.078 4.422 4.320 0.300 0.000 0.214 17 A C 2.375 179.831 177.584 -0.213 0.000 1.187 17 A CA 1.240 53.193 52.037 -0.139 0.000 0.614 17 A CB -0.508 18.427 19.000 -0.108 0.000 0.826 17 A HN 0.207 nan 8.150 nan 0.000 0.442 18 V N -0.418 119.335 119.914 -0.270 0.000 2.427 18 V HA -0.090 4.210 4.120 0.300 0.000 0.248 18 V C 2.287 177.847 176.094 -0.890 0.000 1.051 18 V CA 1.697 63.767 62.300 -0.384 0.000 1.048 18 V CB -0.853 30.811 31.823 -0.265 0.000 0.666 18 V HN 0.562 nan 8.190 nan 0.000 0.456 19 A N -0.444 121.796 122.820 -0.966 0.000 2.684 19 A HA 0.721 5.221 4.320 0.300 0.000 0.288 19 A C 0.709 177.944 177.584 -0.581 0.000 1.337 19 A CA 0.385 51.520 52.037 -1.503 0.000 0.946 19 A CB -0.500 17.799 19.000 -1.168 0.000 1.093 19 A HN 0.441 nan 8.150 nan 0.000 0.543 20 A N 0.578 123.169 122.820 -0.382 0.000 2.252 20 A HA 0.733 5.233 4.320 0.300 0.000 0.305 20 A C -2.502 175.097 177.584 0.026 0.000 1.097 20 A CA -1.497 50.470 52.037 -0.117 0.000 0.849 20 A CB -0.112 18.832 19.000 -0.094 0.000 1.142 20 A HN 0.294 nan 8.150 nan 0.000 0.499 21 P HA 0.216 nan 4.420 nan 0.000 0.272 21 P C -0.636 176.719 177.300 0.091 0.000 1.230 21 P CA -0.226 62.933 63.100 0.098 0.000 0.788 21 P CB 0.361 32.102 31.700 0.067 0.000 0.949 22 R N 1.214 121.776 120.500 0.104 0.000 2.402 22 R HA 0.362 4.882 4.340 0.300 0.000 0.331 22 R C 0.258 176.600 176.300 0.070 0.000 1.040 22 R CA 0.524 56.680 56.100 0.093 0.000 0.980 22 R CB -0.183 30.172 30.300 0.091 0.000 0.967 22 R HN 0.403 nan 8.270 nan 0.000 0.440 23 S N 1.933 117.673 115.700 0.067 0.000 2.625 23 S HA 0.269 4.919 4.470 0.300 0.000 0.271 23 S C -1.230 173.419 174.600 0.081 0.000 1.161 23 S CA -1.025 57.212 58.200 0.063 0.000 0.820 23 S CB 1.170 64.399 63.200 0.048 0.000 1.137 23 S HN 0.526 nan 8.310 nan 0.000 0.470 24 N N 2.003 120.757 118.700 0.090 0.000 2.416 24 N HA 0.367 5.287 4.740 0.300 0.000 0.265 24 N C -0.946 174.663 175.510 0.165 0.000 1.195 24 N CA 0.034 53.170 53.050 0.143 0.000 0.943 24 N CB 0.506 39.036 38.487 0.072 0.000 1.115 24 N HN 0.485 nan 8.380 nan 0.000 0.481 25 L N 2.992 124.327 121.223 0.187 0.000 2.401 25 L HA 0.570 5.090 4.340 0.300 0.000 0.266 25 L C -1.461 175.409 176.870 -0.001 0.000 0.991 25 L CA -1.049 53.857 54.840 0.111 0.000 0.818 25 L CB 1.877 43.954 42.059 0.030 0.000 1.321 25 L HN 0.343 nan 8.230 nan 0.000 0.413 26 L N 5.704 126.913 121.223 -0.022 0.000 2.305 26 L HA 0.713 5.233 4.340 0.300 0.000 0.284 26 L C -1.380 175.416 176.870 -0.124 0.000 1.013 26 L CA -0.281 54.433 54.840 -0.209 0.000 0.819 26 L CB 1.780 43.720 42.059 -0.197 0.000 1.227 26 L HN 0.355 nan 8.230 nan 0.000 0.417 27 V N 6.481 126.310 119.914 -0.142 0.000 2.311 27 V HA 0.395 4.695 4.120 0.300 0.000 0.275 27 V C -0.288 175.761 176.094 -0.076 0.000 1.022 27 V CA -0.394 61.854 62.300 -0.087 0.000 0.830 27 V CB 1.034 32.809 31.823 -0.080 0.000 1.012 27 V HN 0.685 nan 8.190 nan 0.000 0.452 28 L N 5.316 126.508 121.223 -0.052 0.000 2.287 28 L HA 0.936 5.456 4.340 0.300 0.000 0.287 28 L C 0.025 176.886 176.870 -0.016 0.000 1.022 28 L CA 0.187 55.008 54.840 -0.031 0.000 0.814 28 L CB 1.130 43.174 42.059 -0.025 0.000 1.217 28 L HN 0.789 nan 8.230 nan 0.000 0.420 29 A N 3.151 125.968 122.820 -0.005 0.000 2.597 29 A HA 0.691 5.191 4.320 0.300 0.000 0.292 29 A C -0.286 177.312 177.584 0.023 0.000 1.057 29 A CA -0.221 51.817 52.037 0.001 0.000 0.674 29 A CB 0.229 19.220 19.000 -0.015 0.000 1.278 29 A HN 0.937 nan 8.150 nan 0.000 0.416 30 G N -0.044 108.779 108.800 0.037 0.000 2.712 30 G HA2 0.622 4.762 3.960 0.300 0.000 0.258 30 G HA3 0.622 4.762 3.960 0.300 0.000 0.258 30 G C 0.655 175.599 174.900 0.074 0.000 1.241 30 G CA 0.251 45.413 45.100 0.104 0.000 0.923 30 G HN 2.097 nan 8.290 nan 0.000 0.548 31 A N -1.173 121.705 122.820 0.097 0.000 2.531 31 A HA 0.513 5.013 4.320 0.300 0.000 0.236 31 A C 1.598 179.146 177.584 -0.059 0.000 1.062 31 A CA 1.100 53.117 52.037 -0.033 0.000 0.760 31 A CB -0.489 18.395 19.000 -0.193 0.000 0.995 31 A HN 2.628 nan 8.150 nan 0.000 0.501 32 G N 1.316 110.079 108.800 -0.063 0.000 2.273 32 G HA2 -0.187 3.953 3.960 0.300 0.000 0.280 32 G HA3 -0.187 3.953 3.960 0.300 0.000 0.280 32 G C 0.643 175.526 174.900 -0.029 0.000 1.047 32 G CA 0.986 46.053 45.100 -0.054 0.000 0.869 32 G HN 2.073 nan 8.290 nan 0.000 0.502 33 S N -1.461 114.223 115.700 -0.026 0.000 2.539 33 S HA 0.482 5.132 4.470 0.300 0.000 0.221 33 S C 1.785 176.398 174.600 0.022 0.000 0.987 33 S CA 0.829 59.020 58.200 -0.014 0.000 0.929 33 S CB 0.842 64.008 63.200 -0.057 0.000 0.832 33 S HN 2.257 nan 8.310 nan 0.000 0.492 34 G N 2.022 110.809 108.800 -0.021 0.000 2.130 34 G HA2 -0.254 3.886 3.960 0.300 0.000 0.216 34 G HA3 -0.254 3.886 3.960 0.300 0.000 0.216 34 G C 0.673 175.514 174.900 -0.098 0.000 0.999 34 G CA 0.319 45.366 45.100 -0.089 0.000 0.686 34 G HN 0.482 nan 8.290 nan 0.000 0.515 35 K N -0.548 119.813 120.400 -0.066 0.000 2.057 35 K HA -0.063 4.437 4.320 0.300 0.000 0.207 35 K C 2.487 179.048 176.600 -0.064 0.000 1.049 35 K CA 1.780 58.031 56.287 -0.060 0.000 0.931 35 K CB -0.257 32.220 32.500 -0.037 0.000 0.714 35 K HN 0.344 nan 8.250 nan 0.000 0.440 36 T N 0.917 115.435 114.554 -0.060 0.000 2.904 36 T HA -0.106 4.424 4.350 0.300 0.000 0.267 36 T C 1.818 176.475 174.700 -0.071 0.000 1.059 36 T CA 1.192 63.262 62.100 -0.050 0.000 1.137 36 T CB -0.089 68.755 68.868 -0.040 0.000 0.879 36 T HN 0.221 nan 8.240 nan 0.000 0.467 37 R N 1.058 121.482 120.500 -0.127 0.000 2.073 37 R HA -0.051 4.469 4.340 0.300 0.000 0.234 37 R C 2.179 178.327 176.300 -0.255 0.000 1.134 37 R CA 1.307 57.274 56.100 -0.222 0.000 0.952 37 R CB -0.956 29.146 30.300 -0.329 0.000 0.850 37 R HN 0.189 nan 8.270 nan 0.000 0.433 38 V N 1.234 121.028 119.914 -0.199 0.000 2.287 38 V HA -0.250 4.050 4.120 0.300 0.000 0.248 38 V C 2.342 178.401 176.094 -0.059 0.000 1.053 38 V CA 2.058 64.270 62.300 -0.148 0.000 1.027 38 V CB -0.577 31.174 31.823 -0.121 0.000 0.646 38 V HN 0.482 nan 8.190 nan 0.000 0.447 39 L N -0.428 120.769 121.223 -0.042 0.000 2.042 39 L HA -0.167 4.353 4.340 0.300 0.000 0.210 39 L C 2.359 179.249 176.870 0.035 0.000 1.076 39 L CA 1.727 56.563 54.840 -0.007 0.000 0.749 39 L CB -0.212 41.842 42.059 -0.008 0.000 0.893 39 L HN 0.149 nan 8.230 nan 0.000 0.432 40 V N -0.363 119.581 119.914 0.050 0.000 2.358 40 V HA -0.299 4.001 4.120 0.300 0.000 0.246 40 V C 2.339 178.528 176.094 0.158 0.000 1.047 40 V CA 2.039 64.397 62.300 0.098 0.000 1.035 40 V CB -0.849 31.040 31.823 0.108 0.000 0.658 40 V HN 0.574 nan 8.190 nan 0.000 0.452 41 H N -0.570 118.475 119.070 -0.041 0.000 2.389 41 H HA -0.135 4.601 4.556 0.300 0.000 0.299 41 H C 2.533 177.878 175.328 0.027 0.000 1.081 41 H CA 1.352 57.379 56.048 -0.036 0.000 1.345 41 H CB 0.211 29.923 29.762 -0.083 0.000 1.393 41 H HN 0.189 nan 8.280 nan 0.000 0.520 42 R N 1.699 122.275 120.500 0.128 0.000 2.127 42 R HA -0.093 4.427 4.340 0.300 0.000 0.238 42 R C 2.007 178.399 176.300 0.152 0.000 1.134 42 R CA 0.984 57.141 56.100 0.095 0.000 0.975 42 R CB -0.747 29.570 30.300 0.029 0.000 0.865 42 R HN 0.348 nan 8.270 nan 0.000 0.447 43 I N -0.044 120.599 120.570 0.121 0.000 2.202 43 I HA -0.183 4.167 4.170 0.300 0.000 0.242 43 I C 2.269 178.464 176.117 0.129 0.000 1.091 43 I CA 1.229 62.598 61.300 0.115 0.000 1.368 43 I CB -0.463 37.589 38.000 0.085 0.000 1.058 43 I HN 0.304 nan 8.210 nan 0.000 0.410 44 A N 0.753 123.638 122.820 0.109 0.000 1.908 44 A HA -0.271 4.229 4.320 0.300 0.000 0.218 44 A C 2.273 179.957 177.584 0.168 0.000 1.181 44 A CA 1.490 53.585 52.037 0.096 0.000 0.627 44 A CB -1.137 17.865 19.000 0.003 0.000 0.818 44 A HN 0.727 nan 8.150 nan 0.000 0.445 45 W N 0.644 121.950 121.300 0.011 0.000 2.381 45 W HA -0.121 4.719 4.660 0.300 0.000 0.301 45 W C 1.640 178.178 176.519 0.032 0.000 1.205 45 W CA 1.544 58.904 57.345 0.024 0.000 1.285 45 W CB -0.448 29.028 29.460 0.026 0.000 1.133 45 W HN 0.310 nan 8.180 nan 0.000 0.521 46 L N 0.298 121.709 121.223 0.313 0.000 2.187 46 L HA -0.286 4.234 4.340 0.300 0.000 0.213 46 L C 2.570 179.483 176.870 0.073 0.000 1.100 46 L CA 1.364 56.319 54.840 0.191 0.000 0.765 46 L CB -0.558 41.601 42.059 0.167 0.000 0.904 46 L HN 0.022 nan 8.230 nan 0.000 0.437 47 M N -1.469 118.167 119.600 0.060 0.000 2.325 47 M HA -0.098 4.562 4.480 0.300 0.000 0.265 47 M C 2.441 178.722 176.300 -0.032 0.000 1.094 47 M CA 1.680 56.995 55.300 0.026 0.000 1.161 47 M CB 0.070 32.701 32.600 0.052 0.000 1.358 47 M HN 0.303 nan 8.290 nan 0.000 0.446 48 S N -1.142 114.510 115.700 -0.079 0.000 2.441 48 S HA 0.055 4.705 4.470 0.300 0.000 0.224 48 S C 1.655 176.103 174.600 -0.254 0.000 1.043 48 S CA 0.221 58.342 58.200 -0.132 0.000 0.948 48 S CB -0.412 62.732 63.200 -0.092 0.000 0.810 48 S HN 0.214 nan 8.310 nan 0.000 0.504 49 V N 2.006 121.635 119.914 -0.475 0.000 2.426 49 V HA 0.121 4.421 4.120 0.300 0.000 0.242 49 V C 2.195 178.079 176.094 -0.351 0.000 1.036 49 V CA 1.288 63.212 62.300 -0.628 0.000 1.044 49 V CB -0.390 30.535 31.823 -1.497 0.000 0.688 49 V HN 0.430 nan 8.190 nan 0.000 0.462 50 E N 0.149 120.194 120.200 -0.258 0.000 2.465 50 E HA 0.073 4.603 4.350 0.300 0.000 0.191 50 E C -0.095 176.473 176.600 -0.052 0.000 1.053 50 E CA -0.230 56.122 56.400 -0.081 0.000 0.869 50 E CB -0.304 29.413 29.700 0.027 0.000 0.977 50 E HN 0.527 nan 8.360 nan 0.000 0.483 51 N N 0.941 119.593 118.700 -0.079 0.000 2.696 51 N HA -0.199 4.721 4.740 0.300 0.000 0.271 51 N C -0.532 174.971 175.510 -0.012 0.000 0.997 51 N CA 0.618 53.641 53.050 -0.045 0.000 0.801 51 N CB -1.632 36.826 38.487 -0.048 0.000 0.913 51 N HN 0.178 nan 8.380 nan 0.000 0.557 52 C N 0.359 119.665 119.300 0.010 0.000 2.370 52 C HA 0.407 5.047 4.460 0.300 0.000 0.354 52 C C 1.323 176.343 174.990 0.050 0.000 1.218 52 C CA -0.559 58.479 59.018 0.033 0.000 2.154 52 C CB 1.497 29.271 27.740 0.057 0.000 2.391 52 C HN 0.563 nan 8.230 nan 0.000 0.540 53 S N 2.581 118.316 115.700 0.058 0.000 2.565 53 S HA 0.222 4.872 4.470 0.300 0.000 0.276 53 S C -1.494 173.198 174.600 0.153 0.000 1.326 53 S CA -0.893 57.365 58.200 0.097 0.000 1.045 53 S CB 0.850 64.095 63.200 0.076 0.000 0.918 53 S HN 0.586 nan 8.310 nan 0.000 0.505 54 P HA -0.101 nan 4.420 nan 0.000 0.217 54 P C 0.391 177.787 177.300 0.160 0.000 1.148 54 P CA 1.244 64.439 63.100 0.159 0.000 0.828 54 P CB -0.047 31.736 31.700 0.138 0.000 0.783 55 Y N -0.048 120.282 120.300 0.051 0.000 2.421 55 Y HA -0.091 4.639 4.550 0.300 0.000 0.292 55 Y C 2.170 178.038 175.900 -0.053 0.000 1.136 55 Y CA 1.407 59.508 58.100 0.002 0.000 1.255 55 Y CB -1.172 37.239 38.460 -0.082 0.000 0.991 55 Y HN 0.062 nan 8.280 nan 0.000 0.552 56 S N -0.691 115.093 115.700 0.141 0.000 2.710 56 S HA 0.241 4.891 4.470 0.300 0.000 0.224 56 S C 0.142 174.911 174.600 0.283 0.000 0.948 56 S CA -0.194 58.073 58.200 0.111 0.000 0.949 56 S CB -1.009 62.223 63.200 0.054 0.000 0.778 56 S HN 0.214 nan 8.310 nan 0.000 0.498 57 I N 2.009 122.777 120.570 0.332 0.000 2.418 57 I HA 0.433 4.782 4.170 0.300 0.000 0.287 57 I C -0.486 175.749 176.117 0.196 0.000 1.008 57 I CA -0.458 60.991 61.300 0.249 0.000 1.104 57 I CB 1.927 40.025 38.000 0.163 0.000 1.264 57 I HN 0.247 nan 8.210 nan 0.000 0.438 58 M N 6.467 126.082 119.600 0.024 0.000 2.125 58 M HA 0.655 5.315 4.480 0.300 0.000 0.321 58 M C -1.157 175.139 176.300 -0.007 0.000 0.983 58 M CA -0.507 54.713 55.300 -0.134 0.000 0.934 58 M CB 1.503 33.812 32.600 -0.486 0.000 1.542 58 M HN 0.659 nan 8.290 nan 0.000 0.424 59 A N 5.381 128.218 122.820 0.030 0.000 2.277 59 A HA 0.675 5.175 4.320 0.300 0.000 0.318 59 A C -1.376 176.193 177.584 -0.025 0.000 1.339 59 A CA -0.575 51.472 52.037 0.017 0.000 0.875 59 A CB 0.972 19.991 19.000 0.031 0.000 1.158 59 A HN 0.703 nan 8.150 nan 0.000 0.514 60 V N 2.366 122.235 119.914 -0.075 0.000 2.823 60 V HA 0.915 5.215 4.120 0.300 0.000 0.312 60 V C -0.173 175.707 176.094 -0.357 0.000 1.072 60 V CA 0.264 62.415 62.300 -0.248 0.000 0.937 60 V CB 2.378 33.992 31.823 -0.349 0.000 1.013 60 V HN 1.114 nan 8.190 nan 0.000 0.430 61 T N 3.076 117.359 114.554 -0.451 0.000 2.731 61 T HA 0.355 4.885 4.350 0.300 0.000 0.300 61 T C -0.173 174.489 174.700 -0.063 0.000 1.283 61 T CA 0.118 62.088 62.100 -0.217 0.000 1.005 61 T CB 1.355 70.209 68.868 -0.024 0.000 1.420 61 T HN 0.550 nan 8.240 nan 0.000 0.503 62 F N 2.179 122.185 119.950 0.093 0.000 2.094 62 F HA 0.238 4.944 4.527 0.298 0.000 0.291 62 F C 1.544 177.317 175.800 -0.046 0.000 1.109 62 F CA 1.742 59.809 58.000 0.111 0.000 1.221 62 F CB -0.595 38.366 39.000 -0.066 0.000 1.014 62 F HN 0.645 nan 8.300 nan 0.000 0.473 63 T N -0.537 113.778 114.554 -0.399 0.000 2.913 63 T HA 0.160 4.690 4.350 0.300 0.000 0.287 63 T C 1.025 175.570 174.700 -0.260 0.000 1.008 63 T CA -0.589 61.218 62.100 -0.488 0.000 1.067 63 T CB 0.907 69.627 68.868 -0.247 0.000 0.996 63 T HN 0.231 nan 8.240 nan 0.000 0.513 64 N N 1.270 119.824 118.700 -0.244 0.000 2.104 64 N HA -0.110 4.810 4.740 0.300 0.000 0.190 64 N C 1.788 177.243 175.510 -0.091 0.000 1.024 64 N CA 0.954 53.921 53.050 -0.138 0.000 0.853 64 N CB -0.140 38.284 38.487 -0.106 0.000 1.008 64 N HN 0.531 nan 8.380 nan 0.000 0.424 65 K N 1.410 121.756 120.400 -0.090 0.000 2.020 65 K HA -0.072 4.428 4.320 0.300 0.000 0.212 65 K C 2.005 178.563 176.600 -0.070 0.000 1.050 65 K CA 1.184 57.422 56.287 -0.081 0.000 0.929 65 K CB -0.684 31.767 32.500 -0.082 0.000 0.714 65 K HN 0.159 nan 8.250 nan 0.000 0.443 66 A N 0.996 123.782 122.820 -0.056 0.000 1.933 66 A HA -0.080 4.420 4.320 0.300 0.000 0.218 66 A C 2.357 179.919 177.584 -0.036 0.000 1.175 66 A CA 2.079 54.094 52.037 -0.036 0.000 0.628 66 A CB -0.504 18.492 19.000 -0.006 0.000 0.814 66 A HN 0.341 nan 8.150 nan 0.000 0.444 67 A N -0.230 122.560 122.820 -0.051 0.000 1.930 67 A HA 0.237 4.737 4.320 0.300 0.000 0.217 67 A C 2.461 180.033 177.584 -0.020 0.000 1.175 67 A CA 1.783 53.793 52.037 -0.045 0.000 0.627 67 A CB -0.871 18.088 19.000 -0.068 0.000 0.815 67 A HN 0.985 nan 8.150 nan 0.000 0.443 68 A N -0.201 122.607 122.820 -0.021 0.000 1.933 68 A HA -0.125 4.375 4.320 0.300 0.000 0.218 68 A C 1.954 179.554 177.584 0.027 0.000 1.175 68 A CA 2.076 54.115 52.037 0.004 0.000 0.628 68 A CB -0.438 18.555 19.000 -0.012 0.000 0.814 68 A HN 0.530 nan 8.150 nan 0.000 0.444 69 E N -0.050 120.147 120.200 -0.005 0.000 2.051 69 E HA -0.172 4.358 4.350 0.300 0.000 0.192 69 E C 2.025 178.656 176.600 0.052 0.000 0.991 69 E CA 1.767 58.171 56.400 0.007 0.000 0.799 69 E CB -0.355 29.321 29.700 -0.040 0.000 0.748 69 E HN 0.605 nan 8.360 nan 0.000 0.449 70 M N -0.256 119.359 119.600 0.025 0.000 2.065 70 M HA -0.180 4.480 4.480 0.300 0.000 0.259 70 M C 2.590 178.915 176.300 0.042 0.000 1.069 70 M CA 1.936 57.252 55.300 0.027 0.000 1.110 70 M CB -0.406 32.201 32.600 0.011 0.000 1.328 70 M HN 0.091 nan 8.290 nan 0.000 0.405 71 R N -0.524 120.002 120.500 0.044 0.000 2.096 71 R HA -0.237 4.283 4.340 0.300 0.000 0.240 71 R C 2.444 178.784 176.300 0.067 0.000 1.139 71 R CA 1.970 58.100 56.100 0.049 0.000 0.952 71 R CB -0.563 29.766 30.300 0.047 0.000 0.854 71 R HN 0.496 nan 8.270 nan 0.000 0.436 72 H N 0.490 119.561 119.070 0.002 0.000 2.270 72 H HA -0.094 4.642 4.556 0.301 0.000 0.299 72 H C 1.998 177.331 175.328 0.008 0.000 1.077 72 H CA 2.033 58.084 56.048 0.005 0.000 1.294 72 H CB 0.026 29.784 29.762 -0.005 0.000 1.371 72 H HN 0.214 nan 8.280 nan 0.000 0.491 73 R N 0.074 120.594 120.500 0.033 0.000 2.139 73 R HA -0.121 4.399 4.340 0.300 0.000 0.243 73 R C 2.638 178.906 176.300 -0.053 0.000 1.145 73 R CA 1.435 57.518 56.100 -0.027 0.000 0.976 73 R CB -0.227 30.100 30.300 0.045 0.000 0.866 73 R HN 0.416 nan 8.270 nan 0.000 0.449 74 I N -0.062 120.494 120.570 -0.022 0.000 2.454 74 I HA -0.173 4.177 4.170 0.300 0.000 0.254 74 I C 2.424 178.520 176.117 -0.035 0.000 1.156 74 I CA 1.245 62.539 61.300 -0.010 0.000 1.433 74 I CB -0.448 37.562 38.000 0.015 0.000 1.082 74 I HN 0.300 nan 8.210 nan 0.000 0.432 75 G N -0.111 108.640 108.800 -0.082 0.000 2.404 75 G HA2 -0.169 3.971 3.960 0.300 0.000 0.213 75 G HA3 -0.169 3.971 3.960 0.300 0.000 0.213 75 G C 1.491 176.331 174.900 -0.100 0.000 1.189 75 G CA 0.081 45.129 45.100 -0.086 0.000 0.796 75 G HN 0.222 nan 8.290 nan 0.000 0.532 76 Q N -0.188 119.503 119.800 -0.182 0.000 2.197 76 Q HA -0.108 4.412 4.340 0.300 0.000 0.207 76 Q C 2.459 178.436 176.000 -0.039 0.000 0.984 76 Q CA 0.991 56.719 55.803 -0.125 0.000 0.869 76 Q CB -0.468 28.172 28.738 -0.163 0.000 0.906 76 Q HN 0.487 nan 8.270 nan 0.000 0.426 77 L N -1.056 120.143 121.223 -0.041 0.000 2.168 77 L HA 0.094 4.614 4.340 0.300 0.000 0.203 77 L C 1.536 178.438 176.870 0.054 0.000 1.078 77 L CA 1.235 56.058 54.840 -0.028 0.000 0.780 77 L CB 0.119 42.093 42.059 -0.141 0.000 0.939 77 L HN 0.063 nan 8.230 nan 0.000 0.451 78 M N -0.561 119.055 119.600 0.027 0.000 2.673 78 M HA 0.350 5.010 4.480 0.300 0.000 0.334 78 M C 0.845 177.163 176.300 0.031 0.000 1.211 78 M CA 0.143 55.474 55.300 0.052 0.000 0.962 78 M CB 0.279 32.905 32.600 0.043 0.000 1.343 78 M HN 0.223 nan 8.290 nan 0.000 0.511 79 G N 2.055 110.866 108.800 0.018 0.000 2.293 79 G HA2 -0.311 3.828 3.960 0.300 0.000 0.271 79 G HA3 -0.311 3.828 3.960 0.300 0.000 0.271 79 G C 0.628 175.534 174.900 0.009 0.000 0.857 79 G CA 1.102 46.207 45.100 0.007 0.000 1.221 79 G HN 0.663 nan 8.290 nan 0.000 0.445 80 T N -1.593 112.964 114.554 0.005 0.000 3.538 80 T HA -0.266 4.264 4.350 0.300 0.000 0.385 80 T C 1.499 176.213 174.700 0.024 0.000 0.766 80 T CA 1.669 63.778 62.100 0.014 0.000 1.906 80 T CB -1.208 67.667 68.868 0.013 0.000 1.760 80 T HN 0.954 nan 8.240 nan 0.000 0.678 81 S N 0.289 116.006 115.700 0.028 0.000 2.572 81 S HA 0.088 4.738 4.470 0.300 0.000 0.228 81 S C 1.787 176.414 174.600 0.045 0.000 0.963 81 S CA 0.192 58.414 58.200 0.036 0.000 0.939 81 S CB 0.452 63.672 63.200 0.033 0.000 0.804 81 S HN 0.938 nan 8.310 nan 0.000 0.480 82 Q N 1.515 121.340 119.800 0.040 0.000 2.364 82 Q HA 0.047 4.567 4.340 0.300 0.000 0.207 82 Q C 1.178 177.197 176.000 0.031 0.000 0.970 82 Q CA 0.588 56.417 55.803 0.043 0.000 0.888 82 Q CB -0.855 27.908 28.738 0.041 0.000 0.951 82 Q HN 0.355 nan 8.270 nan 0.000 0.469 83 G N 0.644 109.464 108.800 0.033 0.000 2.578 83 G HA2 0.140 4.280 3.960 0.300 0.000 0.287 83 G HA3 0.140 4.280 3.960 0.300 0.000 0.287 83 G C 0.692 175.555 174.900 -0.061 0.000 0.568 83 G CA 0.424 45.536 45.100 0.020 0.000 1.150 83 G HN 0.656 nan 8.290 nan 0.000 0.251 84 G N 2.363 111.054 108.800 -0.182 0.000 3.345 84 G HA2 -0.089 4.051 3.960 0.300 0.000 0.199 84 G HA3 -0.089 4.051 3.960 0.300 0.000 0.199 84 G C 0.597 175.273 174.900 -0.375 0.000 1.057 84 G CA 0.127 44.798 45.100 -0.715 0.000 0.865 84 G HN 1.307 nan 8.290 nan 0.000 0.449 85 M N -0.277 119.297 119.600 -0.043 0.000 2.250 85 M HA 0.702 5.362 4.480 0.300 0.000 0.344 85 M C -0.617 175.898 176.300 0.359 0.000 1.150 85 M CA -0.589 54.808 55.300 0.161 0.000 1.147 85 M CB 0.914 33.593 32.600 0.132 0.000 1.498 85 M HN 0.030 nan 8.290 nan 0.000 0.461 86 W N 2.887 124.239 121.300 0.087 0.000 2.332 86 W HA 0.541 5.381 4.660 0.300 0.000 0.306 86 W C -1.298 175.205 176.519 -0.027 0.000 1.149 86 W CA -0.912 56.449 57.345 0.026 0.000 1.271 86 W CB 1.027 30.469 29.460 -0.029 0.000 1.243 86 W HN 0.406 nan 8.180 nan 0.000 0.459 87 V N 5.005 124.993 119.914 0.124 0.000 2.357 87 V HA 0.874 5.174 4.120 0.300 0.000 0.281 87 V C 0.340 176.421 176.094 -0.021 0.000 1.015 87 V CA -0.501 61.825 62.300 0.044 0.000 0.827 87 V CB 0.733 32.580 31.823 0.041 0.000 1.018 87 V HN 0.634 nan 8.190 nan 0.000 0.432 88 G N 2.967 111.737 108.800 -0.050 0.000 2.634 88 G HA2 0.638 4.778 3.960 0.300 0.000 0.309 88 G HA3 0.638 4.778 3.960 0.300 0.000 0.309 88 G C -0.406 174.414 174.900 -0.134 0.000 1.299 88 G CA 0.137 45.184 45.100 -0.088 0.000 0.798 88 G HN 0.610 nan 8.290 nan 0.000 0.490 89 T N -1.775 112.706 114.554 -0.123 0.000 2.874 89 T HA 0.488 5.018 4.350 0.300 0.000 0.281 89 T C 0.930 175.553 174.700 -0.129 0.000 0.994 89 T CA -0.316 61.704 62.100 -0.134 0.000 1.015 89 T CB 1.098 69.915 68.868 -0.085 0.000 1.028 89 T HN 0.224 nan 8.240 nan 0.000 0.523 90 F N 0.348 120.293 119.950 -0.009 0.000 2.102 90 F HA -0.039 4.668 4.527 0.299 0.000 0.298 90 F C 2.660 178.300 175.800 -0.267 0.000 1.105 90 F CA 1.743 59.624 58.000 -0.199 0.000 1.239 90 F CB -0.701 38.193 39.000 -0.176 0.000 0.991 90 F HN 0.677 nan 8.300 nan 0.000 0.474 91 H N -0.656 118.425 119.070 0.020 0.000 2.321 91 H HA -0.064 4.673 4.556 0.301 0.000 0.300 91 H C 2.476 177.795 175.328 -0.016 0.000 1.087 91 H CA 1.244 57.277 56.048 -0.024 0.000 1.319 91 H CB -1.089 28.673 29.762 0.001 0.000 1.379 91 H HN 0.257 nan 8.280 nan 0.000 0.501 92 G N 0.667 109.526 108.800 0.099 0.000 2.480 92 G HA2 -0.231 3.909 3.960 0.300 0.000 0.216 92 G HA3 -0.231 3.909 3.960 0.300 0.000 0.216 92 G C 1.644 176.540 174.900 -0.005 0.000 1.200 92 G CA 1.073 46.206 45.100 0.055 0.000 0.782 92 G HN 0.301 nan 8.290 nan 0.000 0.554 93 L N 0.668 121.850 121.223 -0.067 0.000 2.083 93 L HA -0.069 4.451 4.340 0.300 0.000 0.209 93 L C 3.421 180.308 176.870 0.027 0.000 1.083 93 L CA 1.005 55.815 54.840 -0.050 0.000 0.752 93 L CB -0.602 41.541 42.059 0.141 0.000 0.899 93 L HN 0.342 nan 8.230 nan 0.000 0.433 94 A N -0.712 122.050 122.820 -0.096 0.000 1.902 94 A HA -0.275 4.225 4.320 0.300 0.000 0.217 94 A C 2.186 179.810 177.584 0.067 0.000 1.181 94 A CA 1.706 53.666 52.037 -0.129 0.000 0.623 94 A CB -0.966 17.836 19.000 -0.330 0.000 0.818 94 A HN 0.514 nan 8.150 nan 0.000 0.443 95 H N -0.835 118.231 119.070 -0.006 0.000 2.267 95 H HA -0.188 4.548 4.556 0.300 0.000 0.297 95 H C 2.455 177.854 175.328 0.119 0.000 1.080 95 H CA 1.623 57.730 56.048 0.097 0.000 1.278 95 H CB -0.056 29.759 29.762 0.088 0.000 1.365 95 H HN 0.452 nan 8.280 nan 0.000 0.489 96 R N 0.335 120.860 120.500 0.041 0.000 2.113 96 R HA -0.179 4.341 4.340 0.300 0.000 0.244 96 R C 2.574 178.968 176.300 0.158 0.000 1.142 96 R CA 1.915 57.979 56.100 -0.061 0.000 0.953 96 R CB -0.231 29.884 30.300 -0.309 0.000 0.860 96 R HN 0.373 nan 8.270 nan 0.000 0.438 97 L N 0.134 121.491 121.223 0.223 0.000 2.093 97 L HA -0.160 4.360 4.340 0.300 0.000 0.208 97 L C 2.348 179.378 176.870 0.265 0.000 1.085 97 L CA 0.977 55.974 54.840 0.262 0.000 0.755 97 L CB -0.292 41.817 42.059 0.083 0.000 0.904 97 L HN 0.280 nan 8.230 nan 0.000 0.435 98 L N -1.104 120.277 121.223 0.263 0.000 2.109 98 L HA -0.121 4.399 4.340 0.300 0.000 0.207 98 L C 2.903 180.041 176.870 0.448 0.000 1.086 98 L CA 0.637 55.700 54.840 0.372 0.000 0.760 98 L CB -0.514 41.792 42.059 0.413 0.000 0.910 98 L HN 0.237 nan 8.230 nan 0.000 0.437 99 R N 0.737 121.419 120.500 0.304 0.000 2.075 99 R HA -0.083 4.437 4.340 0.300 0.000 0.230 99 R C 2.144 178.571 176.300 0.212 0.000 1.140 99 R CA 1.610 57.746 56.100 0.059 0.000 0.928 99 R CB -0.983 29.251 30.300 -0.111 0.000 0.834 99 R HN 0.288 nan 8.270 nan 0.000 0.429 100 A N 0.913 123.900 122.820 0.279 0.000 2.259 100 A HA -0.108 4.391 4.320 0.300 0.000 0.212 100 A C 0.566 178.254 177.584 0.173 0.000 1.178 100 A CA 0.981 53.182 52.037 0.273 0.000 0.734 100 A CB -0.438 18.771 19.000 0.350 0.000 0.774 100 A HN 0.442 nan 8.150 nan 0.000 0.481 101 H N -2.140 117.077 119.070 0.245 0.000 3.124 101 H HA 0.022 4.758 4.556 0.300 0.000 0.250 101 H C 1.077 176.467 175.328 0.103 0.000 1.184 101 H CA 0.283 56.426 56.048 0.159 0.000 1.013 101 H CB -0.082 29.798 29.762 0.197 0.000 1.891 101 H HN 0.846 nan 8.280 nan 0.000 0.687 102 H N 0.075 119.281 119.070 0.227 0.000 2.437 102 H HA -0.166 4.570 4.556 0.300 0.000 0.296 102 H C 1.646 177.077 175.328 0.173 0.000 1.121 102 H CA 0.995 57.173 56.048 0.217 0.000 1.255 102 H CB -0.063 29.784 29.762 0.142 0.000 1.366 102 H HN 0.189 nan 8.280 nan 0.000 0.512 103 M N 1.630 120.946 119.600 -0.473 0.000 2.126 103 M HA -0.148 4.512 4.480 0.300 0.000 0.259 103 M C 1.723 178.014 176.300 -0.015 0.000 1.073 103 M CA 1.434 56.586 55.300 -0.248 0.000 1.103 103 M CB -0.856 31.576 32.600 -0.281 0.000 1.284 103 M HN 0.320 nan 8.290 nan 0.000 0.420 104 D N -0.140 120.288 120.400 0.046 0.000 2.392 104 D HA 0.013 4.833 4.640 0.300 0.000 0.228 104 D C 1.077 177.441 176.300 0.107 0.000 1.003 104 D CA 0.723 54.785 54.000 0.104 0.000 0.917 104 D CB 0.143 41.039 40.800 0.160 0.000 0.890 104 D HN 0.324 nan 8.370 nan 0.000 0.532 105 A N 0.955 123.847 122.820 0.121 0.000 2.387 105 A HA 0.063 4.563 4.320 0.300 0.000 0.234 105 A C 0.924 178.582 177.584 0.124 0.000 1.253 105 A CA -0.143 51.972 52.037 0.131 0.000 0.894 105 A CB -0.232 18.883 19.000 0.192 0.000 0.963 105 A HN 0.158 nan 8.150 nan 0.000 0.508 106 N N -0.979 117.786 118.700 0.108 0.000 2.696 106 N HA -0.168 4.752 4.740 0.300 0.000 0.249 106 N C -0.821 174.771 175.510 0.136 0.000 1.090 106 N CA 0.907 54.016 53.050 0.099 0.000 0.716 106 N CB -1.643 36.884 38.487 0.066 0.000 1.020 106 N HN 0.488 nan 8.380 nan 0.000 0.548 107 L N 0.164 121.522 121.223 0.225 0.000 2.362 107 L HA 0.569 5.089 4.340 0.300 0.000 0.275 107 L C -1.986 175.106 176.870 0.370 0.000 0.998 107 L CA -2.039 52.989 54.840 0.313 0.000 0.820 107 L CB 1.950 44.294 42.059 0.474 0.000 1.270 107 L HN -0.029 nan 8.230 nan 0.000 0.415 108 P HA -0.065 nan 4.420 nan 0.000 0.267 108 P C 0.236 177.524 177.300 -0.020 0.000 1.209 108 P CA 0.060 63.255 63.100 0.158 0.000 0.763 108 P CB 1.039 32.796 31.700 0.096 0.000 0.816 109 Q N 3.124 122.707 119.800 -0.361 0.000 2.250 109 Q HA -0.250 4.270 4.340 0.300 0.000 0.215 109 Q C 0.523 176.192 176.000 -0.552 0.000 1.002 109 Q CA 2.339 57.568 55.803 -0.957 0.000 0.910 109 Q CB -0.141 28.069 28.738 -0.880 0.000 0.939 109 Q HN 0.541 nan 8.270 nan 0.000 0.416 110 D N -0.072 120.149 120.400 -0.298 0.000 2.722 110 D HA 0.041 4.861 4.640 0.300 0.000 0.239 110 D C 0.004 176.244 176.300 -0.100 0.000 1.249 110 D CA -0.574 53.292 54.000 -0.223 0.000 0.830 110 D CB -0.930 39.796 40.800 -0.123 0.000 1.025 110 D HN 0.198 nan 8.370 nan 0.000 0.486 111 F N 0.126 120.057 119.950 -0.032 0.000 2.595 111 F HA 0.385 5.092 4.527 0.300 0.000 0.359 111 F C 0.408 176.200 175.800 -0.014 0.000 1.147 111 F CA -1.235 56.756 58.000 -0.015 0.000 1.341 111 F CB 0.076 39.079 39.000 0.005 0.000 1.104 111 F HN -0.138 nan 8.300 nan 0.000 0.603 112 Q N 2.549 122.534 119.800 0.308 0.000 2.245 112 Q HA 0.559 5.079 4.340 0.300 0.000 0.256 112 Q C -0.919 175.116 176.000 0.060 0.000 0.942 112 Q CA -0.579 55.320 55.803 0.160 0.000 0.896 112 Q CB 1.290 30.062 28.738 0.056 0.000 1.272 112 Q HN 0.765 nan 8.270 nan 0.000 0.442 113 I N 3.637 124.201 120.570 -0.010 0.000 2.395 113 I HA 0.141 4.491 4.170 0.300 0.000 0.289 113 I C -0.533 175.438 176.117 -0.243 0.000 1.023 113 I CA -0.744 60.439 61.300 -0.195 0.000 1.350 113 I CB 0.822 38.673 38.000 -0.248 0.000 1.409 113 I HN 0.481 nan 8.210 nan 0.000 0.507 114 L N 7.942 128.968 121.223 -0.328 0.000 2.262 114 L HA 0.287 4.807 4.340 0.300 0.000 0.288 114 L C 0.018 176.624 176.870 -0.441 0.000 1.035 114 L CA -0.252 54.429 54.840 -0.264 0.000 0.820 114 L CB 0.369 42.335 42.059 -0.154 0.000 1.204 114 L HN 0.590 nan 8.230 nan 0.000 0.424 115 D N 2.206 122.433 120.400 -0.288 0.000 2.376 115 D HA 0.131 4.951 4.640 0.300 0.000 0.268 115 D C 0.831 177.174 176.300 0.072 0.000 1.252 115 D CA -0.083 53.829 54.000 -0.146 0.000 1.041 115 D CB 0.262 41.124 40.800 0.103 0.000 1.109 115 D HN 0.402 nan 8.370 nan 0.000 0.552 116 S N -0.982 114.867 115.700 0.248 0.000 2.336 116 S HA -0.186 4.464 4.470 0.300 0.000 0.214 116 S C 1.651 176.318 174.600 0.112 0.000 1.032 116 S CA 1.256 59.566 58.200 0.183 0.000 1.001 116 S CB -0.613 62.694 63.200 0.178 0.000 0.953 116 S HN 0.720 nan 8.310 nan 0.000 0.430 117 E N 0.891 121.151 120.200 0.101 0.000 2.136 117 E HA -0.286 4.244 4.350 0.300 0.000 0.202 117 E C 1.224 177.866 176.600 0.070 0.000 1.019 117 E CA 1.785 58.231 56.400 0.077 0.000 0.819 117 E CB -0.171 29.571 29.700 0.069 0.000 0.739 117 E HN 0.334 nan 8.360 nan 0.000 0.458 118 D N -0.141 120.297 120.400 0.063 0.000 2.144 118 D HA -0.156 4.664 4.640 0.300 0.000 0.200 118 D C 1.861 178.207 176.300 0.077 0.000 0.978 118 D CA 0.913 54.946 54.000 0.054 0.000 0.833 118 D CB -0.250 40.564 40.800 0.024 0.000 0.961 118 D HN 0.286 nan 8.370 nan 0.000 0.470 119 Q N -0.244 119.608 119.800 0.087 0.000 2.046 119 Q HA -0.120 4.400 4.340 0.300 0.000 0.200 119 Q C 2.081 178.153 176.000 0.120 0.000 0.975 119 Q CA 0.653 56.539 55.803 0.140 0.000 0.836 119 Q CB -0.113 28.695 28.738 0.115 0.000 0.896 119 Q HN 0.175 nan 8.270 nan 0.000 0.428 120 L N 1.095 122.370 121.223 0.086 0.000 2.042 120 L HA -0.209 4.311 4.340 0.300 0.000 0.210 120 L C 2.246 179.168 176.870 0.085 0.000 1.076 120 L CA 1.806 56.690 54.840 0.074 0.000 0.749 120 L CB -0.348 41.752 42.059 0.067 0.000 0.893 120 L HN 0.127 nan 8.230 nan 0.000 0.432 121 R N -1.123 119.428 120.500 0.086 0.000 2.062 121 R HA -0.128 4.392 4.340 0.300 0.000 0.231 121 R C 2.190 178.551 176.300 0.102 0.000 1.136 121 R CA 1.483 57.633 56.100 0.084 0.000 0.948 121 R CB -0.854 29.489 30.300 0.071 0.000 0.845 121 R HN 0.318 nan 8.270 nan 0.000 0.430 122 L N 1.431 122.726 121.223 0.119 0.000 2.129 122 L HA -0.159 4.361 4.340 0.300 0.000 0.212 122 L C 1.916 178.891 176.870 0.175 0.000 1.087 122 L CA 1.593 56.517 54.840 0.139 0.000 0.757 122 L CB -0.253 41.897 42.059 0.153 0.000 0.896 122 L HN 0.150 nan 8.230 nan 0.000 0.434 123 L N -1.145 120.185 121.223 0.179 0.000 2.072 123 L HA -0.169 4.351 4.340 0.300 0.000 0.205 123 L C 2.600 179.556 176.870 0.143 0.000 1.079 123 L CA 1.103 56.042 54.840 0.165 0.000 0.752 123 L CB -0.517 41.597 42.059 0.091 0.000 0.906 123 L HN 0.215 nan 8.230 nan 0.000 0.436 124 K N 0.237 120.709 120.400 0.121 0.000 1.977 124 K HA -0.226 4.274 4.320 0.300 0.000 0.218 124 K C 2.230 178.895 176.600 0.107 0.000 1.051 124 K CA 1.799 58.153 56.287 0.112 0.000 0.953 124 K CB -0.208 32.346 32.500 0.091 0.000 0.727 124 K HN 0.176 nan 8.250 nan 0.000 0.445 125 R N 0.882 121.440 120.500 0.097 0.000 2.117 125 R HA -0.138 4.382 4.340 0.300 0.000 0.243 125 R C 2.417 178.770 176.300 0.090 0.000 1.143 125 R CA 1.248 57.400 56.100 0.085 0.000 0.968 125 R CB -0.433 29.916 30.300 0.081 0.000 0.863 125 R HN 0.252 nan 8.270 nan 0.000 0.444 126 L N 0.483 121.772 121.223 0.111 0.000 2.083 126 L HA -0.160 4.360 4.340 0.300 0.000 0.209 126 L C 2.072 179.006 176.870 0.107 0.000 1.083 126 L CA 1.407 56.315 54.840 0.114 0.000 0.752 126 L CB -0.055 42.101 42.059 0.161 0.000 0.899 126 L HN 0.253 nan 8.230 nan 0.000 0.433 127 I N -0.347 120.298 120.570 0.125 0.000 2.333 127 I HA -0.285 4.065 4.170 0.300 0.000 0.246 127 I C 2.489 178.659 176.117 0.089 0.000 1.106 127 I CA 0.961 62.334 61.300 0.122 0.000 1.411 127 I CB -0.168 37.943 38.000 0.185 0.000 1.082 127 I HN 0.194 nan 8.210 nan 0.000 0.420 128 K N 1.625 122.078 120.400 0.089 0.000 2.147 128 K HA -0.159 4.341 4.320 0.300 0.000 0.205 128 K C 2.055 178.685 176.600 0.051 0.000 1.049 128 K CA 1.467 57.795 56.287 0.069 0.000 0.936 128 K CB -0.072 32.467 32.500 0.066 0.000 0.722 128 K HN 0.284 nan 8.250 nan 0.000 0.446 129 A N 1.009 123.859 122.820 0.051 0.000 1.855 129 A HA -0.103 4.397 4.320 0.300 0.000 0.215 129 A C 1.989 179.587 177.584 0.024 0.000 1.191 129 A CA 1.630 53.689 52.037 0.037 0.000 0.613 129 A CB -0.501 18.523 19.000 0.041 0.000 0.829 129 A HN 0.387 nan 8.150 nan 0.000 0.442 130 M N 0.308 119.922 119.600 0.023 0.000 2.771 130 M HA -0.065 4.595 4.480 0.300 0.000 0.246 130 M C -0.422 175.867 176.300 -0.017 0.000 1.054 130 M CA 0.349 55.648 55.300 -0.003 0.000 1.068 130 M CB -0.728 31.863 32.600 -0.015 0.000 1.452 130 M HN 0.402 nan 8.290 nan 0.000 0.549 131 N N 1.908 120.610 118.700 0.003 0.000 2.641 131 N HA -0.150 4.770 4.740 0.300 0.000 0.267 131 N C -1.450 174.059 175.510 -0.002 0.000 1.087 131 N CA 0.800 53.854 53.050 0.006 0.000 0.731 131 N CB -1.189 37.297 38.487 -0.002 0.000 0.886 131 N HN 0.411 nan 8.380 nan 0.000 0.547 132 L N 0.325 121.562 121.223 0.023 0.000 2.436 132 L HA 0.336 4.856 4.340 0.300 0.000 0.268 132 L C 0.201 177.151 176.870 0.133 0.000 0.974 132 L CA -0.979 53.892 54.840 0.050 0.000 0.826 132 L CB 2.127 44.163 42.059 -0.038 0.000 1.291 132 L HN 0.019 nan 8.230 nan 0.000 0.406 133 D N 1.138 121.646 120.400 0.180 0.000 2.417 133 D HA 0.005 4.825 4.640 0.300 0.000 0.250 133 D C 1.132 177.530 176.300 0.163 0.000 1.166 133 D CA 0.283 54.368 54.000 0.141 0.000 0.881 133 D CB 1.352 42.213 40.800 0.102 0.000 1.164 133 D HN 0.404 nan 8.370 nan 0.000 0.467 134 E N 2.927 123.200 120.200 0.121 0.000 2.147 134 E HA -0.241 4.289 4.350 0.300 0.000 0.199 134 E C 1.654 178.310 176.600 0.095 0.000 1.005 134 E CA 1.622 58.095 56.400 0.122 0.000 0.810 134 E CB -0.168 29.584 29.700 0.088 0.000 0.736 134 E HN 0.584 nan 8.360 nan 0.000 0.460 135 K N -0.757 119.668 120.400 0.043 0.000 2.228 135 K HA -0.053 4.447 4.320 0.300 0.000 0.202 135 K C 2.765 179.312 176.600 -0.089 0.000 1.051 135 K CA 1.155 57.436 56.287 -0.009 0.000 0.960 135 K CB -0.086 32.401 32.500 -0.023 0.000 0.743 135 K HN 0.361 nan 8.250 nan 0.000 0.458 136 Q N 0.029 119.747 119.800 -0.136 0.000 2.212 136 Q HA -0.081 4.439 4.340 0.300 0.000 0.199 136 Q C 0.220 175.687 176.000 -0.890 0.000 0.950 136 Q CA 0.974 56.496 55.803 -0.469 0.000 0.863 136 Q CB -0.477 28.025 28.738 -0.393 0.000 0.944 136 Q HN 0.480 nan 8.270 nan 0.000 0.465 137 W N 0.210 121.485 121.300 -0.041 0.000 2.036 137 W HA 0.463 5.303 4.660 0.301 0.000 0.294 137 W C -2.811 173.884 176.519 0.295 0.000 0.948 137 W CA -2.793 54.539 57.345 -0.022 0.000 1.774 137 W CB 0.747 30.022 29.460 -0.309 0.000 1.950 137 W HN 0.042 nan 8.180 nan 0.000 0.384 138 P HA -0.059 nan 4.420 nan 0.000 0.264 138 P C -1.703 175.800 177.300 0.339 0.000 1.183 138 P CA -0.256 63.016 63.100 0.287 0.000 0.763 138 P CB 0.723 32.529 31.700 0.176 0.000 0.807 139 P HA -0.162 nan 4.420 nan 0.000 0.213 139 P C 1.489 178.842 177.300 0.088 0.000 1.170 139 P CA 1.635 64.832 63.100 0.162 0.000 0.902 139 P CB -0.055 31.719 31.700 0.123 0.000 0.789 140 R N -0.579 119.969 120.500 0.080 0.000 2.112 140 R HA -0.263 4.257 4.340 0.300 0.000 0.242 140 R C 2.463 178.797 176.300 0.057 0.000 1.137 140 R CA 1.962 58.096 56.100 0.058 0.000 0.944 140 R CB -1.081 29.248 30.300 0.049 0.000 0.857 140 R HN 0.167 nan 8.270 nan 0.000 0.435 141 Q N 0.623 120.468 119.800 0.075 0.000 2.173 141 Q HA -0.172 4.348 4.340 0.300 0.000 0.208 141 Q C 1.806 177.676 176.000 -0.218 0.000 0.989 141 Q CA 2.233 58.079 55.803 0.072 0.000 0.872 141 Q CB -0.288 28.596 28.738 0.245 0.000 0.909 141 Q HN 0.412 nan 8.270 nan 0.000 0.420 142 A N -0.296 122.283 122.820 -0.403 0.000 1.929 142 A HA -0.073 4.427 4.320 0.300 0.000 0.216 142 A C 2.118 179.490 177.584 -0.353 0.000 1.176 142 A CA 1.313 52.921 52.037 -0.715 0.000 0.628 142 A CB -0.563 18.229 19.000 -0.347 0.000 0.816 142 A HN 0.569 nan 8.150 nan 0.000 0.444 143 M N -1.634 117.857 119.600 -0.182 0.000 2.067 143 M HA -0.147 4.513 4.480 0.300 0.000 0.260 143 M C 2.052 178.264 176.300 -0.147 0.000 1.069 143 M CA 2.408 57.606 55.300 -0.170 0.000 1.117 143 M CB -0.322 32.244 32.600 -0.056 0.000 1.334 143 M HN 0.647 nan 8.290 nan 0.000 0.407 144 W N 0.313 121.505 121.300 -0.180 0.000 2.317 144 W HA -0.332 4.509 4.660 0.302 0.000 0.318 144 W C 2.074 178.465 176.519 -0.213 0.000 1.227 144 W CA 2.381 59.639 57.345 -0.144 0.000 1.269 144 W CB -1.174 28.231 29.460 -0.093 0.000 1.155 144 W HN 0.430 nan 8.180 nan 0.000 0.484 145 Y N 0.735 120.731 120.300 -0.506 0.000 2.081 145 Y HA -0.323 4.407 4.550 0.299 0.000 0.280 145 Y C 2.403 177.833 175.900 -0.784 0.000 1.163 145 Y CA 2.994 60.597 58.100 -0.828 0.000 1.135 145 Y CB -0.798 37.218 38.460 -0.741 0.000 0.970 145 Y HN 0.025 nan 8.280 nan 0.000 0.498 146 I N 0.282 120.494 120.570 -0.596 0.000 2.113 146 I HA -0.382 3.968 4.170 0.300 0.000 0.238 146 I C 2.076 177.758 176.117 -0.724 0.000 1.070 146 I CA 2.085 62.909 61.300 -0.793 0.000 1.332 146 I CB -0.643 36.933 38.000 -0.706 0.000 1.044 146 I HN 0.339 nan 8.210 nan 0.000 0.402 147 N N 0.178 118.566 118.700 -0.520 0.000 2.104 147 N HA -0.178 4.742 4.740 0.300 0.000 0.190 147 N C 1.909 177.156 175.510 -0.438 0.000 1.024 147 N CA 1.510 54.343 53.050 -0.362 0.000 0.853 147 N CB -0.067 38.297 38.487 -0.206 0.000 1.008 147 N HN 0.217 nan 8.380 nan 0.000 0.424 148 S N 0.718 116.020 115.700 -0.664 0.000 2.370 148 S HA -0.145 4.505 4.470 0.300 0.000 0.226 148 S C 1.852 176.109 174.600 -0.571 0.000 1.033 148 S CA 0.983 58.765 58.200 -0.696 0.000 1.011 148 S CB -0.193 62.318 63.200 -1.149 0.000 0.852 148 S HN 0.333 nan 8.310 nan 0.000 0.457 149 Q N 1.275 120.670 119.800 -0.675 0.000 2.050 149 Q HA -0.043 4.477 4.340 0.300 0.000 0.202 149 Q C 2.087 177.919 176.000 -0.280 0.000 0.980 149 Q CA 1.291 56.802 55.803 -0.487 0.000 0.840 149 Q CB -0.397 27.997 28.738 -0.572 0.000 0.898 149 Q HN 0.550 nan 8.270 nan 0.000 0.424 150 K N 0.596 120.832 120.400 -0.273 0.000 2.148 150 K HA -0.116 4.384 4.320 0.300 0.000 0.204 150 K C 1.623 178.128 176.600 -0.158 0.000 1.050 150 K CA 1.005 57.209 56.287 -0.138 0.000 0.942 150 K CB 0.020 32.461 32.500 -0.099 0.000 0.724 150 K HN 0.123 nan 8.250 nan 0.000 0.446 151 D N 1.124 121.397 120.400 -0.211 0.000 2.221 151 D HA -0.131 4.689 4.640 0.300 0.000 0.204 151 D C 1.141 177.326 176.300 -0.192 0.000 0.982 151 D CA 1.089 54.964 54.000 -0.208 0.000 0.857 151 D CB 0.114 40.776 40.800 -0.230 0.000 0.934 151 D HN 0.164 nan 8.370 nan 0.000 0.475 152 E N -0.535 119.553 120.200 -0.186 0.000 2.465 152 E HA 0.210 4.740 4.350 0.300 0.000 0.195 152 E C 1.167 177.695 176.600 -0.120 0.000 1.028 152 E CA 0.015 56.324 56.400 -0.152 0.000 0.899 152 E CB 0.352 29.956 29.700 -0.160 0.000 1.032 152 E HN 0.205 nan 8.360 nan 0.000 0.468 153 G N 1.728 110.468 108.800 -0.100 0.000 2.233 153 G HA2 -0.302 3.838 3.960 0.300 0.000 0.270 153 G HA3 -0.302 3.838 3.960 0.300 0.000 0.270 153 G C 0.199 175.070 174.900 -0.048 0.000 1.011 153 G CA 0.352 45.426 45.100 -0.043 0.000 0.762 153 G HN 0.269 nan 8.290 nan 0.000 0.511 154 L N 0.549 121.745 121.223 -0.045 0.000 2.264 154 L HA 0.516 5.036 4.340 0.300 0.000 0.289 154 L C 1.027 178.025 176.870 0.213 0.000 1.044 154 L CA -1.112 53.734 54.840 0.009 0.000 0.807 154 L CB 0.810 42.857 42.059 -0.020 0.000 1.192 154 L HN 0.030 nan 8.230 nan 0.000 0.425 155 R N 3.397 124.083 120.500 0.310 0.000 2.541 155 R HA 0.293 4.813 4.340 0.300 0.000 0.263 155 R C -1.544 174.620 176.300 -0.228 0.000 1.112 155 R CA -2.121 53.980 56.100 0.000 0.000 1.170 155 R CB 0.249 30.397 30.300 -0.254 0.000 1.167 155 R HN 0.234 nan 8.270 nan 0.000 0.582 156 P HA -0.181 nan 4.420 nan 0.000 0.215 156 P C 1.128 178.327 177.300 -0.168 0.000 1.157 156 P CA 1.588 64.407 63.100 -0.468 0.000 0.874 156 P CB -0.147 31.217 31.700 -0.559 0.000 0.790 157 H N -1.637 117.326 119.070 -0.179 0.000 2.290 157 H HA -0.193 4.544 4.556 0.300 0.000 0.298 157 H C 1.734 177.017 175.328 -0.075 0.000 1.087 157 H CA 1.574 57.532 56.048 -0.149 0.000 1.291 157 H CB -1.922 27.709 29.762 -0.219 0.000 1.369 157 H HN 0.268 nan 8.280 nan 0.000 0.492 158 H N 1.418 120.331 119.070 -0.262 0.000 2.450 158 H HA -0.109 4.627 4.556 0.300 0.000 0.291 158 H C 0.993 176.322 175.328 0.001 0.000 1.128 158 H CA 1.541 57.530 56.048 -0.098 0.000 1.203 158 H CB -0.208 29.459 29.762 -0.158 0.000 1.356 158 H HN 0.332 nan 8.280 nan 0.000 0.503 164 N N 1.620 120.367 118.700 0.078 0.000 2.327 164 N HA 0.724 5.644 4.740 0.300 0.000 0.257 164 N C -0.756 174.803 175.510 0.081 0.000 1.281 164 N CA -0.420 52.684 53.050 0.091 0.000 0.942 164 N CB 0.020 38.582 38.487 0.125 0.000 1.199 164 N HN 0.189 nan 8.380 nan 0.000 0.532 165 P HA 0.193 nan 4.420 nan 0.000 0.302 165 P C 0.878 178.230 177.300 0.088 0.000 1.393 165 P CA 0.894 64.043 63.100 0.082 0.000 0.818 165 P CB -0.552 31.199 31.700 0.085 0.000 1.974 166 V N -0.249 119.729 119.914 0.106 0.000 3.292 166 V HA 0.065 4.365 4.120 0.300 0.000 0.372 166 V C 1.596 177.788 176.094 0.163 0.000 1.249 166 V CA 1.046 63.439 62.300 0.155 0.000 1.378 166 V CB -1.867 30.047 31.823 0.153 0.000 1.245 166 V HN 0.516 nan 8.190 nan 0.000 0.467 167 E N -2.207 118.068 120.200 0.125 0.000 2.572 167 E HA 0.011 4.541 4.350 0.300 0.000 0.220 167 E C 1.390 178.039 176.600 0.083 0.000 0.945 167 E CA 0.100 56.588 56.400 0.146 0.000 1.070 167 E CB 0.105 29.969 29.700 0.273 0.000 1.090 167 E HN 0.640 nan 8.360 nan 0.000 0.506 168 Q N 0.908 120.738 119.800 0.051 0.000 2.291 168 Q HA -0.103 4.417 4.340 0.300 0.000 0.205 168 Q C 2.039 178.015 176.000 -0.041 0.000 0.970 168 Q CA 2.012 57.836 55.803 0.036 0.000 0.876 168 Q CB -0.022 28.730 28.738 0.025 0.000 0.935 168 Q HN 0.523 nan 8.270 nan 0.000 0.455 169 T N -2.622 111.830 114.554 -0.172 0.000 2.770 169 T HA -0.162 4.368 4.350 0.300 0.000 0.263 169 T C 1.455 175.997 174.700 -0.263 0.000 1.039 169 T CA 0.448 62.316 62.100 -0.386 0.000 1.142 169 T CB -0.638 67.679 68.868 -0.919 0.000 0.868 169 T HN 0.439 nan 8.240 nan 0.000 0.435 170 W N 1.393 122.510 121.300 -0.305 0.000 2.338 170 W HA -0.097 4.743 4.660 0.300 0.000 0.304 170 W C 2.919 179.312 176.519 -0.211 0.000 1.212 170 W CA 0.549 57.669 57.345 -0.375 0.000 1.264 170 W CB -0.130 28.809 29.460 -0.868 0.000 1.142 170 W HN 0.283 nan 8.180 nan 0.000 0.512 171 Q N 1.297 121.192 119.800 0.158 0.000 2.291 171 Q HA -0.151 4.369 4.340 0.300 0.000 0.206 171 Q C 2.144 178.260 176.000 0.193 0.000 0.976 171 Q CA 2.523 58.490 55.803 0.273 0.000 0.875 171 Q CB -0.299 28.571 28.738 0.221 0.000 0.927 171 Q HN 0.210 nan 8.270 nan 0.000 0.450 172 K N -0.949 119.511 120.400 0.099 0.000 2.098 172 K HA 0.080 4.580 4.320 0.300 0.000 0.203 172 K C 1.997 178.660 176.600 0.105 0.000 1.051 172 K CA 1.132 57.450 56.287 0.051 0.000 0.957 172 K CB -0.840 31.633 32.500 -0.045 0.000 0.738 172 K HN 0.151 nan 8.250 nan 0.000 0.447 173 V N 0.188 120.195 119.914 0.156 0.000 2.427 173 V HA -0.206 4.094 4.120 0.300 0.000 0.248 173 V C 2.397 178.677 176.094 0.309 0.000 1.051 173 V CA 1.612 64.044 62.300 0.219 0.000 1.048 173 V CB -0.697 31.320 31.823 0.323 0.000 0.666 173 V HN 0.659 nan 8.190 nan 0.000 0.456 174 Y N 2.083 122.485 120.300 0.171 0.000 2.097 174 Y HA -0.326 4.405 4.550 0.301 0.000 0.282 174 Y C 2.700 178.717 175.900 0.196 0.000 1.152 174 Y CA 2.380 60.587 58.100 0.179 0.000 1.136 174 Y CB -1.185 37.399 38.460 0.208 0.000 0.975 174 Y HN 0.352 nan 8.280 nan 0.000 0.498 175 Q N 0.406 120.290 119.800 0.139 0.000 2.096 175 Q HA -0.138 4.382 4.340 0.300 0.000 0.204 175 Q C 2.567 178.615 176.000 0.080 0.000 0.982 175 Q CA 2.680 58.483 55.803 -0.001 0.000 0.850 175 Q CB -1.562 27.166 28.738 -0.017 0.000 0.901 175 Q HN 0.685 nan 8.270 nan 0.000 0.422 176 A N -0.456 122.441 122.820 0.129 0.000 1.851 176 A HA -0.121 4.379 4.320 0.300 0.000 0.216 176 A C 2.177 179.850 177.584 0.148 0.000 1.195 176 A CA 1.852 53.957 52.037 0.114 0.000 0.622 176 A CB -1.007 18.064 19.000 0.119 0.000 0.831 176 A HN 0.872 nan 8.150 nan 0.000 0.444 177 Y N 0.477 120.840 120.300 0.105 0.000 2.069 177 Y HA -0.350 4.381 4.550 0.301 0.000 0.278 177 Y C 2.640 178.593 175.900 0.087 0.000 1.175 177 Y CA 2.626 60.791 58.100 0.109 0.000 1.134 177 Y CB -0.382 38.175 38.460 0.162 0.000 0.965 177 Y HN 0.334 nan 8.280 nan 0.000 0.498 178 Q N 0.607 120.493 119.800 0.143 0.000 2.045 178 Q HA -0.258 4.262 4.340 0.300 0.000 0.206 178 Q C 2.194 178.141 176.000 -0.088 0.000 0.991 178 Q CA 2.320 58.120 55.803 -0.005 0.000 0.851 178 Q CB -0.601 28.160 28.738 0.038 0.000 0.911 178 Q HN 0.701 nan 8.270 nan 0.000 0.418 179 E N 0.273 120.450 120.200 -0.038 0.000 2.070 179 E HA -0.207 4.323 4.350 0.300 0.000 0.197 179 E C 1.918 178.478 176.600 -0.066 0.000 1.004 179 E CA 1.196 57.572 56.400 -0.040 0.000 0.805 179 E CB -0.183 29.509 29.700 -0.014 0.000 0.744 179 E HN 0.382 nan 8.360 nan 0.000 0.451 180 A N 0.721 123.492 122.820 -0.081 0.000 1.908 180 A HA -0.218 4.282 4.320 0.300 0.000 0.218 180 A C 2.449 179.946 177.584 -0.145 0.000 1.181 180 A CA 1.445 53.426 52.037 -0.092 0.000 0.627 180 A CB -0.860 18.096 19.000 -0.073 0.000 0.818 180 A HN 0.378 nan 8.150 nan 0.000 0.445 181 C N -0.440 118.704 119.300 -0.260 0.000 2.462 181 C HA -0.080 4.560 4.460 0.300 0.000 0.278 181 C C 2.429 177.331 174.990 -0.147 0.000 1.253 181 C CA 0.823 59.683 59.018 -0.264 0.000 1.713 181 C CB -1.196 26.291 27.740 -0.422 0.000 2.049 181 C HN 0.617 nan 8.230 nan 0.000 0.477 182 D N 0.439 120.768 120.400 -0.119 0.000 2.092 182 D HA -0.164 4.656 4.640 0.300 0.000 0.193 182 D C 2.274 178.551 176.300 -0.038 0.000 0.994 182 D CA 1.380 55.343 54.000 -0.062 0.000 0.828 182 D CB -0.469 40.305 40.800 -0.043 0.000 0.963 182 D HN 0.466 nan 8.370 nan 0.000 0.450 183 R N 0.660 121.136 120.500 -0.040 0.000 2.096 183 R HA -0.138 4.382 4.340 0.300 0.000 0.240 183 R C 2.320 178.606 176.300 -0.022 0.000 1.139 183 R CA 1.564 57.650 56.100 -0.024 0.000 0.952 183 R CB -0.261 30.024 30.300 -0.024 0.000 0.854 183 R HN 0.120 nan 8.270 nan 0.000 0.436 184 A N -0.620 122.177 122.820 -0.038 0.000 2.066 184 A HA 0.133 4.633 4.320 0.300 0.000 0.218 184 A C 1.406 178.979 177.584 -0.018 0.000 1.157 184 A CA 1.009 53.029 52.037 -0.029 0.000 0.670 184 A CB -0.237 18.739 19.000 -0.040 0.000 0.804 184 A HN 0.493 nan 8.150 nan 0.000 0.453 185 G N -1.276 107.513 108.800 -0.018 0.000 2.171 185 G HA2 -0.172 3.968 3.960 0.300 0.000 0.238 185 G HA3 -0.172 3.968 3.960 0.300 0.000 0.238 185 G C -0.130 174.775 174.900 0.010 0.000 1.039 185 G CA 0.292 45.404 45.100 0.019 0.000 0.759 185 G HN 0.441 nan 8.290 nan 0.000 0.501 186 L N -0.639 120.546 121.223 -0.064 0.000 2.334 186 L HA 0.832 5.352 4.340 0.300 0.000 0.272 186 L C 0.142 176.896 176.870 -0.193 0.000 1.020 186 L CA -1.349 53.426 54.840 -0.107 0.000 0.812 186 L CB 2.180 44.169 42.059 -0.118 0.000 1.264 186 L HN -0.042 nan 8.230 nan 0.000 0.439 187 V N 0.821 120.585 119.914 -0.249 0.000 2.612 187 V HA 0.190 4.490 4.120 0.300 0.000 0.301 187 V C -0.926 174.989 176.094 -0.298 0.000 1.059 187 V CA -0.888 61.219 62.300 -0.321 0.000 0.886 187 V CB 2.033 33.503 31.823 -0.589 0.000 1.007 187 V HN 0.875 nan 8.190 nan 0.000 0.426 188 D N 2.846 123.126 120.400 -0.201 0.000 2.423 188 D HA 0.349 5.169 4.640 0.300 0.000 0.255 188 D C 0.910 177.084 176.300 -0.209 0.000 1.174 188 D CA -0.465 53.389 54.000 -0.242 0.000 1.008 188 D CB 0.677 41.467 40.800 -0.017 0.000 1.101 188 D HN 0.199 nan 8.370 nan 0.000 0.516 189 F N -0.039 119.920 119.950 0.015 0.000 2.095 189 F HA -0.080 4.628 4.527 0.301 0.000 0.298 189 F C 2.735 178.565 175.800 0.049 0.000 1.104 189 F CA 1.643 59.691 58.000 0.081 0.000 1.232 189 F CB -1.199 37.876 39.000 0.125 0.000 0.987 189 F HN 0.503 nan 8.300 nan 0.000 0.475 190 A N -0.437 122.511 122.820 0.212 0.000 1.940 190 A HA -0.245 4.255 4.320 0.300 0.000 0.219 190 A C 2.100 179.669 177.584 -0.024 0.000 1.176 190 A CA 1.918 53.989 52.037 0.057 0.000 0.631 190 A CB -0.800 18.203 19.000 0.005 0.000 0.814 190 A HN 0.357 nan 8.150 nan 0.000 0.446 191 E N 0.281 120.472 120.200 -0.015 0.000 2.051 191 E HA -0.145 4.385 4.350 0.300 0.000 0.192 191 E C 1.840 178.371 176.600 -0.115 0.000 0.991 191 E CA 1.226 57.594 56.400 -0.054 0.000 0.799 191 E CB -0.440 29.215 29.700 -0.075 0.000 0.748 191 E HN 0.587 nan 8.360 nan 0.000 0.449 192 L N -0.011 121.125 121.223 -0.145 0.000 1.991 192 L HA -0.300 4.220 4.340 0.300 0.000 0.221 192 L C 2.585 179.328 176.870 -0.212 0.000 1.079 192 L CA 1.728 56.463 54.840 -0.175 0.000 0.778 192 L CB -0.717 41.259 42.059 -0.139 0.000 0.893 192 L HN 0.264 nan 8.230 nan 0.000 0.437 193 L N -1.171 119.874 121.223 -0.296 0.000 2.017 193 L HA -0.249 4.271 4.340 0.300 0.000 0.208 193 L C 2.563 179.315 176.870 -0.196 0.000 1.073 193 L CA 0.798 55.418 54.840 -0.366 0.000 0.745 193 L CB -0.642 41.145 42.059 -0.453 0.000 0.894 193 L HN 0.249 nan 8.230 nan 0.000 0.432 194 L N 0.091 121.247 121.223 -0.113 0.000 2.046 194 L HA -0.189 4.331 4.340 0.300 0.000 0.208 194 L C 2.702 179.593 176.870 0.035 0.000 1.077 194 L CA 1.660 56.497 54.840 -0.004 0.000 0.747 194 L CB -0.591 41.474 42.059 0.011 0.000 0.896 194 L HN 0.081 nan 8.230 nan 0.000 0.432 195 R N -0.146 120.342 120.500 -0.020 0.000 2.075 195 R HA -0.085 4.435 4.340 0.300 0.000 0.230 195 R C 2.282 178.566 176.300 -0.025 0.000 1.140 195 R CA 1.838 57.929 56.100 -0.015 0.000 0.928 195 R CB -1.034 29.235 30.300 -0.052 0.000 0.834 195 R HN 0.455 nan 8.270 nan 0.000 0.429 196 A N -0.025 122.750 122.820 -0.075 0.000 1.997 196 A HA -0.282 4.218 4.320 0.300 0.000 0.221 196 A C 2.215 179.725 177.584 -0.123 0.000 1.172 196 A CA 2.065 54.010 52.037 -0.154 0.000 0.645 196 A CB -1.057 17.828 19.000 -0.192 0.000 0.813 196 A HN 0.685 nan 8.150 nan 0.000 0.454 197 H N -0.605 118.438 119.070 -0.044 0.000 2.333 197 H HA -0.073 4.663 4.556 0.300 0.000 0.302 197 H C 2.015 177.394 175.328 0.085 0.000 1.075 197 H CA 1.486 57.599 56.048 0.109 0.000 1.348 197 H CB 0.061 29.907 29.762 0.140 0.000 1.393 197 H HN 0.654 nan 8.280 nan 0.000 0.509 198 E N 0.568 120.759 120.200 -0.015 0.000 2.118 198 E HA -0.187 4.342 4.350 0.300 0.000 0.195 198 E C 2.345 178.930 176.600 -0.025 0.000 0.992 198 E CA 0.868 57.241 56.400 -0.045 0.000 0.804 198 E CB -0.080 29.641 29.700 0.035 0.000 0.741 198 E HN 0.270 nan 8.360 nan 0.000 0.458 199 L N 0.663 121.861 121.223 -0.040 0.000 1.978 199 L HA -0.217 4.303 4.340 0.300 0.000 0.218 199 L C 1.785 178.703 176.870 0.080 0.000 1.075 199 L CA 1.854 56.675 54.840 -0.031 0.000 0.767 199 L CB -0.671 41.285 42.059 -0.171 0.000 0.890 199 L HN 0.276 nan 8.230 nan 0.000 0.434 200 W N -0.741 120.557 121.300 -0.003 0.000 2.699 200 W HA 0.036 4.876 4.660 0.300 0.000 0.249 200 W C 2.258 178.736 176.519 -0.067 0.000 1.280 200 W CA 0.322 57.649 57.345 -0.030 0.000 1.345 200 W CB -0.664 28.783 29.460 -0.022 0.000 1.128 200 W HN 0.238 nan 8.180 nan 0.000 0.642 201 L N 0.415 121.690 121.223 0.086 0.000 2.477 201 L HA 0.019 4.539 4.340 0.300 0.000 0.220 201 L C 0.780 177.680 176.870 0.050 0.000 1.106 201 L CA 0.743 55.592 54.840 0.015 0.000 0.851 201 L CB -0.167 41.835 42.059 -0.094 0.000 0.994 201 L HN -0.150 nan 8.230 nan 0.000 0.462 202 N N -0.430 118.312 118.700 0.070 0.000 2.238 202 N HA 0.106 5.026 4.740 0.300 0.000 0.235 202 N C -0.182 175.394 175.510 0.110 0.000 1.209 202 N CA 0.090 53.188 53.050 0.081 0.000 0.879 202 N CB 0.922 39.451 38.487 0.070 0.000 1.136 202 N HN -0.005 nan 8.380 nan 0.000 0.517 203 K N 0.213 120.676 120.400 0.105 0.000 3.394 203 K HA 0.274 4.774 4.320 0.300 0.000 0.175 203 K C -2.109 174.479 176.600 -0.020 0.000 1.047 203 K CA -1.309 55.005 56.287 0.045 0.000 0.814 203 K CB 1.821 34.292 32.500 -0.047 0.000 0.803 203 K HN -0.175 nan 8.250 nan 0.000 0.522 204 P HA -0.265 nan 4.420 nan 0.000 0.221 204 P C 1.196 178.544 177.300 0.078 0.000 1.153 204 P CA 1.589 64.740 63.100 0.085 0.000 0.858 204 P CB 0.020 31.782 31.700 0.104 0.000 0.783 205 H N -1.816 117.303 119.070 0.083 0.000 2.462 205 H HA 0.045 4.781 4.556 0.300 0.000 0.292 205 H C 1.897 177.299 175.328 0.122 0.000 1.049 205 H CA 0.860 56.952 56.048 0.074 0.000 1.334 205 H CB -1.190 28.608 29.762 0.060 0.000 1.404 205 H HN 0.196 nan 8.280 nan 0.000 0.544 206 I N 0.503 120.886 120.570 -0.311 0.000 2.286 206 I HA -0.196 4.154 4.170 0.300 0.000 0.245 206 I C 2.613 178.845 176.117 0.193 0.000 1.104 206 I CA 0.575 61.906 61.300 0.051 0.000 1.397 206 I CB -0.154 37.947 38.000 0.169 0.000 1.072 206 I HN 0.134 nan 8.210 nan 0.000 0.417 207 L N 0.668 121.908 121.223 0.028 0.000 1.994 207 L HA -0.240 4.280 4.340 0.300 0.000 0.208 207 L C 2.503 179.227 176.870 -0.243 0.000 1.071 207 L CA 1.945 56.584 54.840 -0.334 0.000 0.745 207 L CB -1.065 40.845 42.059 -0.248 0.000 0.892 207 L HN 0.201 nan 8.230 nan 0.000 0.431 208 Q N -0.826 118.909 119.800 -0.108 0.000 2.152 208 Q HA -0.306 4.214 4.340 0.300 0.000 0.206 208 Q C 2.291 178.225 176.000 -0.110 0.000 0.985 208 Q CA 2.127 57.875 55.803 -0.091 0.000 0.863 208 Q CB -0.398 28.330 28.738 -0.017 0.000 0.904 208 Q HN 0.809 nan 8.270 nan 0.000 0.422 209 H N -0.863 118.108 119.070 -0.164 0.000 2.321 209 H HA -0.153 4.583 4.556 0.300 0.000 0.300 209 H C 1.457 176.552 175.328 -0.388 0.000 1.087 209 H CA 2.130 58.020 56.048 -0.264 0.000 1.319 209 H CB -0.396 29.178 29.762 -0.314 0.000 1.379 209 H HN 0.220 nan 8.280 nan 0.000 0.501 210 Y N 0.568 120.609 120.300 -0.433 0.000 2.200 210 Y HA -0.032 4.699 4.550 0.300 0.000 0.290 210 Y C 2.797 178.429 175.900 -0.447 0.000 1.137 210 Y CA 1.318 59.118 58.100 -0.501 0.000 1.163 210 Y CB -0.218 38.049 38.460 -0.322 0.000 0.988 210 Y HN 0.134 nan 8.280 nan 0.000 0.518 211 R N 0.173 120.499 120.500 -0.290 0.000 2.117 211 R HA -0.209 4.311 4.340 0.300 0.000 0.243 211 R C 2.021 178.192 176.300 -0.214 0.000 1.143 211 R CA 1.776 57.731 56.100 -0.240 0.000 0.968 211 R CB -0.301 29.861 30.300 -0.230 0.000 0.863 211 R HN 0.503 nan 8.270 nan 0.000 0.444 212 E N -0.067 119.968 120.200 -0.276 0.000 2.047 212 E HA -0.192 4.338 4.350 0.300 0.000 0.191 212 E C 2.138 178.546 176.600 -0.320 0.000 0.987 212 E CA 0.905 57.147 56.400 -0.263 0.000 0.799 212 E CB 0.001 29.541 29.700 -0.267 0.000 0.752 212 E HN 0.218 nan 8.360 nan 0.000 0.449 213 R N 0.142 120.329 120.500 -0.521 0.000 2.055 213 R HA -0.060 4.460 4.340 0.300 0.000 0.228 213 R C 0.245 176.246 176.300 -0.498 0.000 1.143 213 R CA 0.892 56.618 56.100 -0.623 0.000 0.945 213 R CB -0.066 29.611 30.300 -1.039 0.000 0.841 213 R HN -0.016 nan 8.270 nan 0.000 0.429 214 F N 1.898 121.747 119.950 -0.169 0.000 2.567 214 F HA 0.147 4.854 4.527 0.301 0.000 0.352 214 F C 1.160 176.903 175.800 -0.096 0.000 1.229 214 F CA -0.187 57.743 58.000 -0.117 0.000 1.228 214 F CB 0.889 39.815 39.000 -0.123 0.000 1.568 214 F HN 0.137 nan 8.300 nan 0.000 0.634 215 T N -2.807 111.797 114.554 0.083 0.000 3.067 215 T HA 0.054 4.584 4.350 0.300 0.000 0.261 215 T C 0.613 175.364 174.700 0.085 0.000 1.110 215 T CA 0.293 62.420 62.100 0.046 0.000 1.113 215 T CB -0.055 68.820 68.868 0.013 0.000 0.917 215 T HN 0.174 nan 8.240 nan 0.000 0.499 216 N N 1.656 120.432 118.700 0.127 0.000 2.569 216 N HA 0.460 5.380 4.740 0.300 0.000 0.254 216 N C -1.294 174.285 175.510 0.115 0.000 1.004 216 N CA -0.328 52.794 53.050 0.120 0.000 0.904 216 N CB 1.533 40.092 38.487 0.120 0.000 1.165 216 N HN 0.408 nan 8.380 nan 0.000 0.513 217 I N 2.466 123.095 120.570 0.099 0.000 2.354 217 I HA 0.392 4.742 4.170 0.300 0.000 0.292 217 I C -0.571 175.592 176.117 0.076 0.000 0.989 217 I CA -0.763 60.584 61.300 0.078 0.000 1.188 217 I CB 1.163 39.222 38.000 0.098 0.000 1.342 217 I HN 0.081 nan 8.210 nan 0.000 0.457 218 L N 7.242 128.500 121.223 0.058 0.000 2.381 218 L HA 0.577 5.097 4.340 0.300 0.000 0.274 218 L C -0.613 176.285 176.870 0.047 0.000 0.988 218 L CA -0.565 54.300 54.840 0.041 0.000 0.824 218 L CB 1.991 44.071 42.059 0.035 0.000 1.263 218 L HN 0.230 nan 8.230 nan 0.000 0.410 219 V N 1.335 121.286 119.914 0.062 0.000 2.448 219 V HA 0.482 4.782 4.120 0.300 0.000 0.295 219 V C -0.624 175.538 176.094 0.114 0.000 1.025 219 V CA -0.599 61.776 62.300 0.126 0.000 0.859 219 V CB 1.806 33.831 31.823 0.336 0.000 0.988 219 V HN 0.637 nan 8.190 nan 0.000 0.431 220 D N 2.577 123.028 120.400 0.085 0.000 2.277 220 D HA 0.298 5.118 4.640 0.300 0.000 0.250 220 D C 0.432 176.807 176.300 0.125 0.000 1.032 220 D CA -0.147 53.899 54.000 0.078 0.000 0.947 220 D CB 1.264 42.084 40.800 0.034 0.000 1.159 220 D HN 0.616 nan 8.370 nan 0.000 0.460 221 E N 1.470 121.737 120.200 0.112 0.000 2.269 221 E HA -0.279 4.251 4.350 0.300 0.000 0.223 221 E C 0.837 177.529 176.600 0.154 0.000 1.244 221 E CA 0.135 56.611 56.400 0.127 0.000 0.713 221 E CB -1.745 28.031 29.700 0.125 0.000 1.178 221 E HN 0.528 nan 8.360 nan 0.000 0.370 222 F N 1.942 121.917 119.950 0.043 0.000 2.192 222 F HA -0.277 4.430 4.527 0.301 0.000 0.301 222 F C 2.554 178.370 175.800 0.027 0.000 1.079 222 F CA 2.324 60.349 58.000 0.042 0.000 1.303 222 F CB 0.145 39.117 39.000 -0.048 0.000 1.024 222 F HN 0.206 nan 8.300 nan 0.000 0.494 223 Q N -0.286 119.544 119.800 0.050 0.000 2.561 223 Q HA -0.172 4.348 4.340 0.300 0.000 0.217 223 Q C 0.741 176.662 176.000 -0.132 0.000 0.980 223 Q CA 1.464 57.245 55.803 -0.036 0.000 0.927 223 Q CB -0.834 27.935 28.738 0.052 0.000 0.980 223 Q HN 0.393 nan 8.270 nan 0.000 0.525 224 D N 1.473 121.780 120.400 -0.154 0.000 2.271 224 D HA -0.034 4.786 4.640 0.300 0.000 0.206 224 D C 0.328 176.331 176.300 -0.495 0.000 0.967 224 D CA 1.164 55.035 54.000 -0.216 0.000 0.867 224 D CB -0.052 40.684 40.800 -0.107 0.000 0.960 224 D HN 0.484 nan 8.370 nan 0.000 0.509 225 T N 0.352 114.580 114.554 -0.544 0.000 2.867 225 T HA 0.071 4.601 4.350 0.300 0.000 0.297 225 T C 0.367 174.728 174.700 -0.565 0.000 0.989 225 T CA -0.649 61.044 62.100 -0.678 0.000 1.159 225 T CB 0.142 68.540 68.868 -0.785 0.000 0.928 225 T HN 0.243 nan 8.240 nan 0.000 0.538 226 N N 3.107 121.477 118.700 -0.551 0.000 2.476 226 N HA 0.234 5.154 4.740 0.300 0.000 0.287 226 N C 0.957 176.303 175.510 -0.273 0.000 1.262 226 N CA -1.108 51.704 53.050 -0.396 0.000 0.980 226 N CB 0.804 39.049 38.487 -0.405 0.000 1.163 226 N HN 0.666 nan 8.380 nan 0.000 0.592 227 N N -0.709 117.872 118.700 -0.199 0.000 2.166 227 N HA -0.155 4.765 4.740 0.300 0.000 0.186 227 N C 1.527 176.986 175.510 -0.086 0.000 1.019 227 N CA 0.722 53.714 53.050 -0.098 0.000 0.856 227 N CB -0.185 38.245 38.487 -0.096 0.000 0.993 227 N HN 0.473 nan 8.380 nan 0.000 0.426 228 I N 1.687 122.151 120.570 -0.177 0.000 2.353 228 I HA -0.199 4.151 4.170 0.300 0.000 0.248 228 I C 1.984 177.967 176.117 -0.223 0.000 1.119 228 I CA 1.386 62.557 61.300 -0.215 0.000 1.417 228 I CB -0.142 37.726 38.000 -0.221 0.000 1.078 228 I HN 0.109 nan 8.210 nan 0.000 0.421 229 Q N -1.156 118.463 119.800 -0.301 0.000 2.119 229 Q HA -0.239 4.281 4.340 0.300 0.000 0.201 229 Q C 2.155 178.116 176.000 -0.064 0.000 0.972 229 Q CA 1.932 57.492 55.803 -0.404 0.000 0.847 229 Q CB -0.429 27.708 28.738 -1.002 0.000 0.903 229 Q HN 0.625 nan 8.270 nan 0.000 0.433 230 Y N 1.065 121.287 120.300 -0.131 0.000 2.114 230 Y HA -0.260 4.470 4.550 0.300 0.000 0.284 230 Y C 2.238 178.259 175.900 0.201 0.000 1.143 230 Y CA 1.482 59.644 58.100 0.103 0.000 1.135 230 Y CB -0.577 37.936 38.460 0.088 0.000 0.980 230 Y HN 0.078 nan 8.280 nan 0.000 0.499 231 A N -0.133 122.739 122.820 0.086 0.000 1.892 231 A HA -0.297 4.203 4.320 0.300 0.000 0.218 231 A C 2.138 179.736 177.584 0.023 0.000 1.188 231 A CA 1.882 53.900 52.037 -0.031 0.000 0.631 231 A CB -1.865 17.035 19.000 -0.165 0.000 0.822 231 A HN 0.834 nan 8.150 nan 0.000 0.447 232 W N 0.661 121.864 121.300 -0.162 0.000 2.318 232 W HA -0.218 4.623 4.660 0.301 0.000 0.313 232 W C 1.856 178.531 176.519 0.262 0.000 1.221 232 W CA 2.225 59.634 57.345 0.106 0.000 1.266 232 W CB -0.248 29.251 29.460 0.066 0.000 1.150 232 W HN 0.332 nan 8.180 nan 0.000 0.496 233 I N -0.130 120.658 120.570 0.364 0.000 2.286 233 I HA -0.233 4.117 4.170 0.300 0.000 0.245 233 I C 2.668 178.854 176.117 0.115 0.000 1.104 233 I CA 1.517 62.960 61.300 0.238 0.000 1.397 233 I CB -0.818 37.457 38.000 0.457 0.000 1.072 233 I HN -0.044 nan 8.210 nan 0.000 0.417 234 R N 1.457 121.951 120.500 -0.011 0.000 2.091 234 R HA -0.203 4.317 4.340 0.300 0.000 0.238 234 R C 2.403 178.551 176.300 -0.253 0.000 1.136 234 R CA 1.470 57.377 56.100 -0.322 0.000 0.959 234 R CB -0.274 29.738 30.300 -0.479 0.000 0.856 234 R HN 0.323 nan 8.270 nan 0.000 0.437 235 L N 0.674 121.846 121.223 -0.085 0.000 1.961 235 L HA -0.194 4.326 4.340 0.300 0.000 0.210 235 L C 2.337 179.102 176.870 -0.176 0.000 1.072 235 L CA 1.324 56.140 54.840 -0.041 0.000 0.749 235 L CB -0.444 41.735 42.059 0.199 0.000 0.889 235 L HN 0.312 nan 8.230 nan 0.000 0.432 236 L N 0.091 121.162 121.223 -0.253 0.000 2.189 236 L HA -0.201 4.319 4.340 0.300 0.000 0.214 236 L C 2.284 178.981 176.870 -0.289 0.000 1.097 236 L CA 2.083 56.630 54.840 -0.489 0.000 0.764 236 L CB -0.771 40.934 42.059 -0.589 0.000 0.900 236 L HN 0.328 nan 8.230 nan 0.000 0.436 237 A N -1.337 121.383 122.820 -0.166 0.000 1.903 237 A HA 0.413 4.913 4.320 0.300 0.000 0.213 237 A C 1.916 179.410 177.584 -0.150 0.000 1.185 237 A CA 1.139 53.122 52.037 -0.090 0.000 0.628 237 A CB -1.058 17.977 19.000 0.060 0.000 0.830 237 A HN 0.726 nan 8.150 nan 0.000 0.446 238 G N -0.271 108.398 108.800 -0.218 0.000 2.596 238 G HA2 -0.363 3.777 3.960 0.300 0.000 0.304 238 G HA3 -0.363 3.777 3.960 0.300 0.000 0.304 238 G C 0.270 175.060 174.900 -0.184 0.000 1.189 238 G CA 0.812 45.793 45.100 -0.197 0.000 0.986 238 G HN 0.433 nan 8.290 nan 0.000 0.548 239 D N -0.389 119.936 120.400 -0.125 0.000 2.500 239 D HA 0.202 5.022 4.640 0.300 0.000 0.218 239 D C 2.227 178.490 176.300 -0.062 0.000 1.140 239 D CA 1.463 55.407 54.000 -0.094 0.000 0.830 239 D CB 0.133 40.886 40.800 -0.078 0.000 1.055 239 D HN 0.664 nan 8.370 nan 0.000 0.512 240 T N -1.078 113.435 114.554 -0.067 0.000 2.901 240 T HA 0.108 4.638 4.350 0.300 0.000 0.252 240 T C 1.331 176.016 174.700 -0.026 0.000 1.035 240 T CA 0.621 62.690 62.100 -0.050 0.000 1.142 240 T CB -0.353 68.473 68.868 -0.071 0.000 0.869 240 T HN 0.015 nan 8.240 nan 0.000 0.442 241 G N 2.136 110.921 108.800 -0.025 0.000 2.441 241 G HA2 0.468 4.608 3.960 0.300 0.000 0.243 241 G HA3 0.468 4.608 3.960 0.300 0.000 0.243 241 G C -0.688 174.257 174.900 0.076 0.000 1.281 241 G CA -0.555 44.559 45.100 0.023 0.000 0.854 241 G HN 0.274 nan 8.290 nan 0.000 0.560 242 K N 1.371 121.826 120.400 0.092 0.000 2.339 242 K HA 0.437 4.937 4.320 0.300 0.000 0.264 242 K C -0.579 176.105 176.600 0.140 0.000 0.986 242 K CA -0.550 55.806 56.287 0.114 0.000 0.866 242 K CB 1.844 34.396 32.500 0.087 0.000 1.103 242 K HN 0.218 nan 8.250 nan 0.000 0.441 243 V N 3.588 123.616 119.914 0.190 0.000 2.628 243 V HA 0.492 4.792 4.120 0.300 0.000 0.306 243 V C -0.068 176.092 176.094 0.111 0.000 1.045 243 V CA -0.955 61.449 62.300 0.173 0.000 0.905 243 V CB 1.965 33.939 31.823 0.251 0.000 0.997 243 V HN 0.717 nan 8.190 nan 0.000 0.436 244 M N 6.674 126.283 119.600 0.014 0.000 2.125 244 M HA 0.663 5.323 4.480 0.300 0.000 0.321 244 M C -1.110 175.074 176.300 -0.194 0.000 0.983 244 M CA -0.583 54.672 55.300 -0.075 0.000 0.934 244 M CB 1.041 33.621 32.600 -0.033 0.000 1.542 244 M HN 0.798 nan 8.290 nan 0.000 0.424 245 I N 4.351 124.658 120.570 -0.438 0.000 2.530 245 I HA 0.853 5.203 4.170 0.300 0.000 0.297 245 I C -1.060 174.846 176.117 -0.352 0.000 1.011 245 I CA -0.974 60.024 61.300 -0.503 0.000 1.107 245 I CB 1.880 39.144 38.000 -1.227 0.000 1.285 245 I HN 0.536 nan 8.210 nan 0.000 0.436 246 V N 2.344 122.168 119.914 -0.150 0.000 2.876 246 V HA 1.099 5.399 4.120 0.300 0.000 0.312 246 V C -0.174 175.928 176.094 0.012 0.000 1.085 246 V CA 0.235 62.484 62.300 -0.084 0.000 0.945 246 V CB 1.033 32.825 31.823 -0.051 0.000 1.017 246 V HN 1.316 nan 8.190 nan 0.000 0.428 247 G N 1.866 110.674 108.800 0.014 0.000 2.428 247 G HA2 0.558 4.698 3.960 0.300 0.000 0.304 247 G HA3 0.558 4.698 3.960 0.300 0.000 0.304 247 G C -2.362 172.567 174.900 0.049 0.000 1.303 247 G CA 0.010 45.153 45.100 0.072 0.000 0.825 247 G HN 1.059 nan 8.290 nan 0.000 0.484 248 D N -0.543 119.897 120.400 0.067 0.000 2.890 248 D HA 0.269 5.089 4.640 0.300 0.000 0.233 248 D C 0.510 176.842 176.300 0.052 0.000 1.306 248 D CA -0.336 53.698 54.000 0.057 0.000 0.929 248 D CB 1.673 42.525 40.800 0.087 0.000 1.512 248 D HN 0.340 nan 8.370 nan 0.000 0.568 249 D N 2.004 122.420 120.400 0.027 0.000 2.312 249 D HA -0.145 4.675 4.640 0.300 0.000 0.211 249 D C 0.528 176.821 176.300 -0.011 0.000 0.964 249 D CA 0.273 54.281 54.000 0.014 0.000 0.877 249 D CB 0.358 41.160 40.800 0.004 0.000 0.924 249 D HN 0.304 nan 8.370 nan 0.000 0.515 250 D N 0.731 121.111 120.400 -0.033 0.000 2.348 250 D HA -0.050 4.770 4.640 0.300 0.000 0.216 250 D C 0.957 177.262 176.300 0.008 0.000 0.970 250 D CA 0.520 54.456 54.000 -0.107 0.000 0.889 250 D CB 0.079 40.680 40.800 -0.331 0.000 0.912 250 D HN 0.452 nan 8.370 nan 0.000 0.524 251 Q N -0.076 119.773 119.800 0.082 0.000 2.225 251 Q HA 0.149 4.669 4.340 0.300 0.000 0.259 251 Q C -0.092 175.938 176.000 0.050 0.000 0.872 251 Q CA -0.169 55.698 55.803 0.106 0.000 1.042 251 Q CB 0.872 29.687 28.738 0.129 0.000 1.142 251 Q HN -0.132 nan 8.270 nan 0.000 0.463 252 S N 1.758 117.472 115.700 0.024 0.000 2.405 252 S HA 0.273 4.923 4.470 0.300 0.000 0.291 252 S C 0.546 175.133 174.600 -0.023 0.000 1.137 252 S CA -0.428 57.777 58.200 0.008 0.000 1.061 252 S CB -0.105 63.092 63.200 -0.005 0.000 1.001 252 S HN 0.534 nan 8.310 nan 0.000 0.507 253 I N 2.082 122.609 120.570 -0.072 0.000 3.813 253 I HA 0.396 4.746 4.170 0.300 0.000 0.323 253 I C -0.959 174.952 176.117 -0.342 0.000 1.536 253 I CA -0.506 60.696 61.300 -0.163 0.000 1.083 253 I CB 0.061 37.867 38.000 -0.323 0.000 1.265 253 I HN 0.483 nan 8.210 nan 0.000 0.507 254 Y N 1.290 121.464 120.300 -0.211 0.000 2.713 254 Y HA 0.494 5.226 4.550 0.304 0.000 0.269 254 Y C 2.034 177.479 175.900 -0.757 0.000 1.106 254 Y CA -0.368 57.281 58.100 -0.753 0.000 1.174 254 Y CB 1.152 39.167 38.460 -0.742 0.000 1.186 254 Y HN 0.221 nan 8.280 nan 0.000 0.555 255 G N 1.018 109.642 108.800 -0.293 0.000 2.442 255 G HA2 -0.261 3.879 3.960 0.300 0.000 0.219 255 G HA3 -0.261 3.879 3.960 0.300 0.000 0.219 255 G C 1.325 176.166 174.900 -0.098 0.000 1.141 255 G CA 0.851 45.873 45.100 -0.131 0.000 0.763 255 G HN 0.753 nan 8.290 nan 0.000 0.554 256 W N 1.347 122.687 121.300 0.066 0.000 2.747 256 W HA 0.105 4.949 4.660 0.307 0.000 0.244 256 W C 0.928 177.500 176.519 0.089 0.000 1.270 256 W CA 0.442 57.839 57.345 0.087 0.000 1.333 256 W CB -0.542 28.963 29.460 0.074 0.000 1.139 256 W HN 0.409 nan 8.180 nan 0.000 0.662 257 R N -0.415 119.912 120.500 -0.288 0.000 2.617 257 R HA 0.447 4.967 4.340 0.300 0.000 0.432 257 R C 0.945 177.060 176.300 -0.308 0.000 1.018 257 R CA 0.010 55.947 56.100 -0.271 0.000 1.077 257 R CB -0.104 29.905 30.300 -0.486 0.000 1.394 257 R HN -0.027 nan 8.270 nan 0.000 0.608 258 G N 0.025 108.692 108.800 -0.222 0.000 2.179 258 G HA2 -0.352 3.788 3.960 0.300 0.000 0.260 258 G HA3 -0.352 3.788 3.960 0.300 0.000 0.260 258 G C 0.377 175.128 174.900 -0.247 0.000 0.977 258 G CA -0.011 44.960 45.100 -0.215 0.000 0.641 258 G HN 0.712 nan 8.290 nan 0.000 0.533 259 A N 0.755 123.396 122.820 -0.299 0.000 2.437 259 A HA 0.633 5.133 4.320 0.300 0.000 0.303 259 A C 0.503 177.975 177.584 -0.188 0.000 1.324 259 A CA 0.406 52.271 52.037 -0.286 0.000 0.983 259 A CB -0.023 18.779 19.000 -0.330 0.000 1.142 259 A HN 0.753 nan 8.150 nan 0.000 0.541 260 Q N 2.154 121.857 119.800 -0.162 0.000 2.256 260 Q HA 0.475 4.995 4.340 0.300 0.000 0.257 260 Q C 0.671 176.618 176.000 -0.088 0.000 0.936 260 Q CA -0.996 54.743 55.803 -0.106 0.000 0.903 260 Q CB 1.418 30.101 28.738 -0.092 0.000 1.263 260 Q HN 0.272 nan 8.270 nan 0.000 0.440 261 V N 1.260 121.143 119.914 -0.052 0.000 2.317 261 V HA -0.355 3.945 4.120 0.300 0.000 0.251 261 V C 1.503 177.592 176.094 -0.008 0.000 1.065 261 V CA 2.305 64.592 62.300 -0.022 0.000 1.049 261 V CB -0.833 30.982 31.823 -0.012 0.000 0.651 261 V HN 0.812 nan 8.190 nan 0.000 0.450 262 E N 0.723 120.906 120.200 -0.028 0.000 2.233 262 E HA -0.224 4.305 4.350 0.300 0.000 0.199 262 E C 1.961 178.538 176.600 -0.037 0.000 1.004 262 E CA 1.277 57.660 56.400 -0.028 0.000 0.819 262 E CB -0.539 29.135 29.700 -0.044 0.000 0.738 262 E HN 0.591 nan 8.360 nan 0.000 0.478 263 N N 0.150 118.807 118.700 -0.071 0.000 2.417 263 N HA -0.158 4.762 4.740 0.300 0.000 0.187 263 N C 1.416 177.045 175.510 0.199 0.000 1.027 263 N CA 0.844 53.830 53.050 -0.106 0.000 0.891 263 N CB -0.065 38.338 38.487 -0.140 0.000 0.956 263 N HN 0.323 nan 8.380 nan 0.000 0.442 264 I N 0.170 120.858 120.570 0.197 0.000 2.188 264 I HA -0.235 4.115 4.170 0.300 0.000 0.237 264 I C 2.396 178.582 176.117 0.114 0.000 1.073 264 I CA 0.818 62.211 61.300 0.155 0.000 1.359 264 I CB -0.311 37.752 38.000 0.105 0.000 1.083 264 I HN 0.029 nan 8.210 nan 0.000 0.412 265 Q N 1.495 121.343 119.800 0.079 0.000 2.181 265 Q HA -0.238 4.282 4.340 0.300 0.000 0.205 265 Q C 2.133 178.193 176.000 0.100 0.000 0.980 265 Q CA 1.657 57.505 55.803 0.075 0.000 0.862 265 Q CB -0.388 28.375 28.738 0.042 0.000 0.905 265 Q HN 0.223 nan 8.270 nan 0.000 0.429 266 R N -1.109 119.440 120.500 0.082 0.000 2.091 266 R HA -0.166 4.354 4.340 0.300 0.000 0.238 266 R C 2.086 178.558 176.300 0.286 0.000 1.136 266 R CA 1.561 57.715 56.100 0.089 0.000 0.959 266 R CB -0.543 29.681 30.300 -0.127 0.000 0.856 266 R HN 0.443 nan 8.270 nan 0.000 0.437 267 F N 1.024 121.083 119.950 0.182 0.000 2.161 267 F HA -0.161 4.546 4.527 0.301 0.000 0.300 267 F C 1.630 177.525 175.800 0.158 0.000 1.089 267 F CA 1.404 59.536 58.000 0.220 0.000 1.282 267 F CB -0.086 38.784 39.000 -0.216 0.000 1.010 267 F HN -0.005 nan 8.300 nan 0.000 0.485 268 L N 0.117 121.433 121.223 0.156 0.000 2.141 268 L HA -0.196 4.324 4.340 0.300 0.000 0.209 268 L C 1.992 178.871 176.870 0.014 0.000 1.094 268 L CA 0.934 55.799 54.840 0.042 0.000 0.763 268 L CB -0.750 41.369 42.059 0.099 0.000 0.908 268 L HN 0.204 nan 8.230 nan 0.000 0.437 269 N N -0.225 118.515 118.700 0.067 0.000 2.290 269 N HA -0.110 4.810 4.740 0.300 0.000 0.179 269 N C 1.305 176.849 175.510 0.056 0.000 1.016 269 N CA 1.083 54.166 53.050 0.055 0.000 0.871 269 N CB -0.129 38.397 38.487 0.066 0.000 0.987 269 N HN 0.290 nan 8.380 nan 0.000 0.431 270 D N -0.058 120.418 120.400 0.127 0.000 2.183 270 D HA 0.028 4.848 4.640 0.300 0.000 0.205 270 D C 0.098 176.368 176.300 -0.050 0.000 0.962 270 D CA 0.458 54.510 54.000 0.087 0.000 0.849 270 D CB -0.181 40.746 40.800 0.211 0.000 0.978 270 D HN 0.080 nan 8.370 nan 0.000 0.488 271 F N 0.928 120.694 119.950 -0.307 0.000 2.396 271 F HA 0.310 5.017 4.527 0.300 0.000 0.343 271 F C -1.805 173.832 175.800 -0.272 0.000 1.104 271 F CA -2.825 54.953 58.000 -0.371 0.000 1.161 271 F CB 0.277 38.828 39.000 -0.749 0.000 1.146 271 F HN -0.327 nan 8.300 nan 0.000 0.522 272 P HA 0.093 nan 4.420 nan 0.000 0.261 272 P C 0.500 177.787 177.300 -0.021 0.000 1.183 272 P CA 0.734 63.813 63.100 -0.036 0.000 0.761 272 P CB 0.325 32.003 31.700 -0.036 0.000 0.785 273 G N 2.876 111.663 108.800 -0.021 0.000 2.321 273 G HA2 -0.204 3.936 3.960 0.300 0.000 0.287 273 G HA3 -0.204 3.936 3.960 0.300 0.000 0.287 273 G C 0.524 175.418 174.900 -0.010 0.000 1.018 273 G CA 0.036 45.130 45.100 -0.010 0.000 0.855 273 G HN 0.836 nan 8.290 nan 0.000 0.507 274 A N -0.667 122.126 122.820 -0.044 0.000 2.498 274 A HA 0.571 5.071 4.320 0.300 0.000 0.239 274 A C 0.614 178.210 177.584 0.019 0.000 1.068 274 A CA 0.710 52.715 52.037 -0.054 0.000 0.766 274 A CB 0.376 19.243 19.000 -0.222 0.000 1.003 274 A HN 0.615 nan 8.150 nan 0.000 0.497 275 E N 0.090 120.330 120.200 0.067 0.000 2.429 275 E HA 0.501 5.031 4.350 0.300 0.000 0.276 275 E C -1.284 175.353 176.600 0.063 0.000 0.953 275 E CA -0.791 55.641 56.400 0.054 0.000 0.787 275 E CB 2.240 31.960 29.700 0.033 0.000 1.307 275 E HN 0.584 nan 8.360 nan 0.000 0.458 276 T N 1.335 115.910 114.554 0.036 0.000 2.855 276 T HA 0.579 5.109 4.350 0.300 0.000 0.281 276 T C -0.154 174.547 174.700 0.003 0.000 1.007 276 T CA -0.497 61.613 62.100 0.017 0.000 1.009 276 T CB 0.711 69.588 68.868 0.015 0.000 0.983 276 T HN 0.247 nan 8.240 nan 0.000 0.455 277 I N 2.655 123.217 120.570 -0.013 0.000 2.466 277 I HA 0.420 4.770 4.170 0.300 0.000 0.289 277 I C -0.122 175.985 176.117 -0.018 0.000 1.026 277 I CA -0.827 60.464 61.300 -0.016 0.000 1.078 277 I CB 1.955 39.938 38.000 -0.029 0.000 1.249 277 I HN 0.352 nan 8.210 nan 0.000 0.429 278 R N 6.677 127.174 120.500 -0.006 0.000 2.310 278 R HA 0.578 5.098 4.340 0.300 0.000 0.324 278 R C -0.917 175.385 176.300 0.003 0.000 0.955 278 R CA -0.755 55.344 56.100 -0.001 0.000 0.830 278 R CB 1.642 31.948 30.300 0.010 0.000 1.154 278 R HN 0.493 nan 8.270 nan 0.000 0.458 279 L N 3.486 124.703 121.223 -0.010 0.000 2.397 279 L HA 0.142 4.662 4.340 0.300 0.000 0.271 279 L C 1.447 178.305 176.870 -0.020 0.000 1.148 279 L CA 0.185 55.014 54.840 -0.017 0.000 0.825 279 L CB 0.721 42.761 42.059 -0.033 0.000 1.117 279 L HN 0.773 nan 8.230 nan 0.000 0.456 280 E N 1.569 121.750 120.200 -0.032 0.000 2.641 280 E HA 0.042 4.572 4.350 0.300 0.000 0.224 280 E C 0.054 176.397 176.600 -0.429 0.000 0.951 280 E CA -0.196 56.183 56.400 -0.035 0.000 1.102 280 E CB 0.934 30.762 29.700 0.213 0.000 1.091 280 E HN 0.667 nan 8.360 nan 0.000 0.507 281 Q N 1.691 121.134 119.800 -0.594 0.000 2.331 281 Q HA 0.227 4.747 4.340 0.300 0.000 0.267 281 Q C -1.014 174.522 176.000 -0.773 0.000 1.006 281 Q CA -0.687 54.406 55.803 -1.184 0.000 0.818 281 Q CB 1.441 29.346 28.738 -1.388 0.000 1.276 281 Q HN -0.012 nan 8.270 nan 0.000 0.450 282 N N 3.339 121.606 118.700 -0.723 0.000 2.499 282 N HA 0.088 5.008 4.740 0.300 0.000 0.281 282 N C -0.812 174.407 175.510 -0.486 0.000 1.098 282 N CA 0.321 53.128 53.050 -0.405 0.000 0.979 282 N CB 0.617 38.952 38.487 -0.253 0.000 1.121 282 N HN 0.711 nan 8.380 nan 0.000 0.466 283 Y N 1.495 121.686 120.300 -0.181 0.000 2.432 283 Y HA 0.275 5.004 4.550 0.299 0.000 0.252 283 Y C 2.186 178.026 175.900 -0.100 0.000 1.097 283 Y CA -0.359 57.658 58.100 -0.138 0.000 1.250 283 Y CB 0.424 38.805 38.460 -0.132 0.000 1.245 283 Y HN 0.540 nan 8.280 nan 0.000 0.522 284 R N 0.252 120.768 120.500 0.026 0.000 2.080 284 R HA 0.109 4.629 4.340 0.300 0.000 0.222 284 R C 0.027 176.311 176.300 -0.027 0.000 1.107 284 R CA 0.992 57.085 56.100 -0.011 0.000 0.980 284 R CB 0.207 30.479 30.300 -0.046 0.000 0.879 284 R HN 0.072 nan 8.270 nan 0.000 0.439 285 S N -0.176 115.498 115.700 -0.044 0.000 2.648 285 S HA 0.247 4.897 4.470 0.300 0.000 0.305 285 S C -0.409 174.173 174.600 -0.030 0.000 1.094 285 S CA -0.666 57.509 58.200 -0.040 0.000 0.983 285 S CB 1.844 65.010 63.200 -0.055 0.000 1.101 285 S HN 0.386 nan 8.310 nan 0.000 0.514 286 T N -1.144 113.399 114.554 -0.019 0.000 2.856 286 T HA 0.172 4.702 4.350 0.300 0.000 0.306 286 T C 1.392 176.088 174.700 -0.005 0.000 1.062 286 T CA 0.085 62.181 62.100 -0.006 0.000 1.083 286 T CB 0.714 69.582 68.868 0.000 0.000 0.984 286 T HN 0.504 nan 8.240 nan 0.000 0.542 287 S N 1.030 116.734 115.700 0.007 0.000 2.400 287 S HA -0.194 4.456 4.470 0.300 0.000 0.232 287 S C 1.900 176.509 174.600 0.015 0.000 1.025 287 S CA 1.833 60.043 58.200 0.016 0.000 0.993 287 S CB -0.959 62.258 63.200 0.028 0.000 0.808 287 S HN 0.802 nan 8.310 nan 0.000 0.478 288 N N 0.235 118.942 118.700 0.011 0.000 2.058 288 N HA -0.036 4.884 4.740 0.300 0.000 0.191 288 N C 1.777 177.290 175.510 0.006 0.000 1.037 288 N CA 1.788 54.845 53.050 0.011 0.000 0.848 288 N CB -0.222 38.271 38.487 0.010 0.000 1.021 288 N HN 0.404 nan 8.380 nan 0.000 0.422 289 I N 0.525 121.091 120.570 -0.007 0.000 2.179 289 I HA -0.242 4.108 4.170 0.300 0.000 0.242 289 I C 2.185 178.295 176.117 -0.013 0.000 1.088 289 I CA 0.666 61.955 61.300 -0.018 0.000 1.357 289 I CB -0.163 37.813 38.000 -0.039 0.000 1.051 289 I HN 0.230 nan 8.210 nan 0.000 0.409 290 L N 0.438 121.655 121.223 -0.010 0.000 2.083 290 L HA -0.182 4.338 4.340 0.300 0.000 0.209 290 L C 2.537 179.426 176.870 0.031 0.000 1.083 290 L CA 1.860 56.701 54.840 0.002 0.000 0.752 290 L CB -0.600 41.455 42.059 -0.006 0.000 0.899 290 L HN 0.105 nan 8.230 nan 0.000 0.433 291 S N -0.418 115.300 115.700 0.029 0.000 2.406 291 S HA -0.044 4.606 4.470 0.300 0.000 0.228 291 S C 2.088 176.711 174.600 0.038 0.000 1.020 291 S CA 0.823 59.045 58.200 0.037 0.000 0.965 291 S CB -0.477 62.741 63.200 0.031 0.000 0.798 291 S HN 0.627 nan 8.310 nan 0.000 0.488 292 A N 2.074 124.912 122.820 0.031 0.000 1.855 292 A HA 0.144 4.643 4.320 0.300 0.000 0.215 292 A C 2.411 180.027 177.584 0.053 0.000 1.191 292 A CA 1.641 53.698 52.037 0.033 0.000 0.613 292 A CB -1.304 17.709 19.000 0.022 0.000 0.829 292 A HN 0.502 nan 8.150 nan 0.000 0.442 293 A N 0.579 123.436 122.820 0.063 0.000 1.873 293 A HA -0.271 4.229 4.320 0.300 0.000 0.218 293 A C 1.955 179.661 177.584 0.205 0.000 1.193 293 A CA 2.042 54.167 52.037 0.147 0.000 0.629 293 A CB -0.832 18.226 19.000 0.097 0.000 0.826 293 A HN 0.577 nan 8.150 nan 0.000 0.447 294 N N 0.412 119.194 118.700 0.137 0.000 2.069 294 N HA -0.153 4.767 4.740 0.300 0.000 0.191 294 N C 1.927 177.457 175.510 0.035 0.000 1.031 294 N CA 1.730 54.827 53.050 0.079 0.000 0.852 294 N CB -0.729 37.795 38.487 0.061 0.000 1.018 294 N HN 0.503 nan 8.380 nan 0.000 0.423 295 A N 1.291 124.134 122.820 0.039 0.000 1.883 295 A HA -0.116 4.384 4.320 0.300 0.000 0.217 295 A C 2.282 179.878 177.584 0.019 0.000 1.186 295 A CA 1.104 53.155 52.037 0.024 0.000 0.624 295 A CB -0.809 18.207 19.000 0.027 0.000 0.822 295 A HN 0.233 nan 8.150 nan 0.000 0.444 296 L N -0.652 120.592 121.223 0.035 0.000 1.989 296 L HA -0.142 4.378 4.340 0.300 0.000 0.211 296 L C 2.235 179.095 176.870 -0.018 0.000 1.071 296 L CA 2.197 57.052 54.840 0.025 0.000 0.749 296 L CB -0.559 41.522 42.059 0.037 0.000 0.890 296 L HN 0.367 nan 8.230 nan 0.000 0.431 297 I N -0.011 120.528 120.570 -0.052 0.000 2.226 297 I HA -0.266 4.084 4.170 0.300 0.000 0.245 297 I C 2.315 178.355 176.117 -0.127 0.000 1.100 297 I CA 1.356 62.540 61.300 -0.193 0.000 1.374 297 I CB -0.436 37.260 38.000 -0.507 0.000 1.057 297 I HN 0.403 nan 8.210 nan 0.000 0.413 298 E N 0.354 120.506 120.200 -0.079 0.000 2.448 298 E HA -0.219 4.311 4.350 0.300 0.000 0.203 298 E C 1.521 178.101 176.600 -0.034 0.000 1.046 298 E CA 0.790 57.159 56.400 -0.051 0.000 0.871 298 E CB -0.242 29.443 29.700 -0.025 0.000 0.790 298 E HN 0.517 nan 8.360 nan 0.000 0.545 299 N N 0.311 118.995 118.700 -0.028 0.000 2.412 299 N HA -0.017 4.903 4.740 0.300 0.000 0.184 299 N C -0.309 175.194 175.510 -0.012 0.000 1.101 299 N CA 0.149 53.194 53.050 -0.008 0.000 0.881 299 N CB 0.195 38.694 38.487 0.018 0.000 0.969 299 N HN 0.103 nan 8.380 nan 0.000 0.459 300 N N 1.354 120.035 118.700 -0.033 0.000 2.524 300 N HA 0.164 5.084 4.740 0.300 0.000 0.283 300 N C -0.092 175.399 175.510 -0.031 0.000 1.142 300 N CA -0.082 52.949 53.050 -0.031 0.000 0.984 300 N CB 0.667 39.122 38.487 -0.052 0.000 1.155 300 N HN 0.043 nan 8.380 nan 0.000 0.467 301 N N -0.068 118.619 118.700 -0.022 0.000 2.458 301 N HA 0.401 5.321 4.740 0.300 0.000 0.271 301 N C 1.328 176.825 175.510 -0.021 0.000 1.210 301 N CA 0.184 53.223 53.050 -0.019 0.000 0.978 301 N CB 0.980 39.460 38.487 -0.012 0.000 1.206 301 N HN 0.632 nan 8.380 nan 0.000 0.536 302 G N 0.503 109.292 108.800 -0.018 0.000 4.766 302 G HA2 -0.423 3.717 3.960 0.300 0.000 0.314 302 G HA3 -0.423 3.717 3.960 0.300 0.000 0.314 302 G C 0.631 175.517 174.900 -0.023 0.000 1.427 302 G CA 0.941 46.031 45.100 -0.017 0.000 1.024 302 G HN 0.708 nan 8.290 nan 0.000 0.754 303 R N -0.889 119.593 120.500 -0.031 0.000 3.731 303 R HA -0.331 4.189 4.340 0.300 0.000 0.488 303 R C 1.921 178.202 176.300 -0.031 0.000 0.241 303 R CA 3.575 59.650 56.100 -0.041 0.000 1.531 303 R CB -1.453 28.812 30.300 -0.058 0.000 0.923 303 R HN 1.673 nan 8.270 nan 0.000 0.596 304 L N -6.208 114.996 121.223 -0.032 0.000 1.268 304 L HA 0.325 4.845 4.340 0.300 0.000 0.077 304 L C 0.559 177.417 176.870 -0.020 0.000 1.481 304 L CA 0.258 55.085 54.840 -0.021 0.000 1.138 304 L CB 0.248 42.296 42.059 -0.018 0.000 2.323 304 L HN 1.029 nan 8.230 nan 0.000 0.449 305 G N 2.853 111.638 108.800 -0.026 0.000 2.797 305 G HA2 -0.141 3.998 3.960 0.300 0.000 0.192 305 G HA3 -0.141 3.998 3.960 0.300 0.000 0.192 305 G C 0.322 175.220 174.900 -0.004 0.000 1.101 305 G CA 0.365 45.454 45.100 -0.018 0.000 0.930 305 G HN 0.777 nan 8.290 nan 0.000 0.512 306 K N -0.378 120.019 120.400 -0.005 0.000 2.098 306 K HA 0.329 4.829 4.320 0.300 0.000 0.203 306 K C 0.995 177.619 176.600 0.040 0.000 1.051 306 K CA 0.626 56.922 56.287 0.016 0.000 0.957 306 K CB 0.105 32.610 32.500 0.008 0.000 0.738 306 K HN 0.655 nan 8.250 nan 0.000 0.447 307 K N 0.823 121.242 120.400 0.031 0.000 5.705 307 K HA -0.108 4.392 4.320 0.300 0.000 0.638 307 K C -0.356 176.304 176.600 0.100 0.000 1.874 307 K CA 0.643 56.965 56.287 0.058 0.000 1.442 307 K CB -1.527 31.008 32.500 0.059 0.000 1.832 307 K HN 0.344 nan 8.250 nan 0.000 0.290 308 L N 3.640 124.902 121.223 0.066 0.000 2.479 308 L HA 0.781 5.301 4.340 0.300 0.000 0.249 308 L C 1.078 178.002 176.870 0.089 0.000 1.178 308 L CA -0.177 54.664 54.840 0.002 0.000 0.811 308 L CB 0.334 42.328 42.059 -0.108 0.000 1.187 308 L HN 0.821 nan 8.230 nan 0.000 0.480 309 W N -1.637 119.629 121.300 -0.056 0.000 3.047 309 W HA 0.745 5.585 4.660 0.300 0.000 0.341 309 W C -1.169 175.284 176.519 -0.110 0.000 1.225 309 W CA -0.814 56.491 57.345 -0.066 0.000 1.150 309 W CB 1.472 30.896 29.460 -0.059 0.000 1.470 309 W HN 0.569 nan 8.180 nan 0.000 0.578 310 T N 0.234 114.894 114.554 0.177 0.000 2.923 310 T HA 0.163 4.693 4.350 0.300 0.000 0.311 310 T C -0.063 174.737 174.700 0.168 0.000 1.183 310 T CA -0.259 61.828 62.100 -0.023 0.000 1.020 310 T CB 1.853 70.656 68.868 -0.108 0.000 1.165 310 T HN 0.335 nan 8.240 nan 0.000 0.482 311 D N 2.271 122.735 120.400 0.106 0.000 2.123 311 D HA 0.136 4.956 4.640 0.300 0.000 0.200 311 D C 1.452 177.791 176.300 0.066 0.000 0.976 311 D CA 1.181 55.257 54.000 0.127 0.000 0.831 311 D CB -0.750 40.111 40.800 0.101 0.000 0.974 311 D HN 0.821 nan 8.370 nan 0.000 0.469 312 G N 0.552 109.369 108.800 0.029 0.000 2.669 312 G HA2 0.162 4.302 3.960 0.300 0.000 0.227 312 G HA3 0.162 4.302 3.960 0.300 0.000 0.227 312 G C 0.284 175.202 174.900 0.031 0.000 1.210 312 G CA 0.348 45.462 45.100 0.024 0.000 0.855 312 G HN 0.315 nan 8.290 nan 0.000 0.551 313 A N 1.378 124.215 122.820 0.029 0.000 2.346 313 A HA 0.385 4.885 4.320 0.300 0.000 0.252 313 A C 1.468 179.067 177.584 0.024 0.000 1.089 313 A CA 0.277 52.330 52.037 0.028 0.000 0.797 313 A CB 0.327 19.344 19.000 0.028 0.000 1.047 313 A HN 0.669 nan 8.150 nan 0.000 0.494 314 D N 0.377 120.791 120.400 0.024 0.000 2.133 314 D HA 0.094 4.914 4.640 0.300 0.000 0.195 314 D C 1.322 177.634 176.300 0.019 0.000 0.997 314 D CA 2.012 56.025 54.000 0.021 0.000 0.840 314 D CB -0.635 40.178 40.800 0.022 0.000 0.947 314 D HN 1.266 nan 8.370 nan 0.000 0.452 315 G N 0.696 109.510 108.800 0.022 0.000 2.796 315 G HA2 -0.266 3.874 3.960 0.300 0.000 0.226 315 G HA3 -0.266 3.874 3.960 0.300 0.000 0.226 315 G C -0.307 174.606 174.900 0.023 0.000 1.381 315 G CA -0.250 44.864 45.100 0.023 0.000 0.867 315 G HN 0.239 nan 8.290 nan 0.000 0.552 316 E N 0.901 121.116 120.200 0.024 0.000 2.455 316 E HA 0.258 4.788 4.350 0.300 0.000 0.259 316 E C -1.858 174.753 176.600 0.019 0.000 1.245 316 E CA -0.401 56.014 56.400 0.025 0.000 1.013 316 E CB 0.182 29.897 29.700 0.026 0.000 0.978 316 E HN 0.348 nan 8.360 nan 0.000 0.479 317 P HA 0.218 nan 4.420 nan 0.000 0.297 317 P C -0.605 176.707 177.300 0.019 0.000 1.307 317 P CA -0.406 62.710 63.100 0.026 0.000 0.773 317 P CB 0.560 32.283 31.700 0.038 0.000 1.265 318 I N 0.074 120.659 120.570 0.025 0.000 2.331 318 I HA 0.164 4.514 4.170 0.300 0.000 0.292 318 I C 0.262 176.413 176.117 0.056 0.000 0.998 318 I CA -0.105 61.209 61.300 0.022 0.000 1.267 318 I CB 0.835 38.850 38.000 0.025 0.000 1.386 318 I HN 0.137 nan 8.210 nan 0.000 0.476 319 S N 6.605 122.345 115.700 0.067 0.000 2.545 319 S HA 0.438 5.088 4.470 0.300 0.000 0.275 319 S C -0.490 174.214 174.600 0.173 0.000 1.299 319 S CA -0.391 57.889 58.200 0.135 0.000 1.048 319 S CB 1.020 64.327 63.200 0.178 0.000 0.938 319 S HN 0.347 nan 8.310 nan 0.000 0.496 320 L N 4.975 126.309 121.223 0.186 0.000 2.377 320 L HA 0.533 5.053 4.340 0.300 0.000 0.270 320 L C -1.536 175.440 176.870 0.176 0.000 0.991 320 L CA -0.595 54.366 54.840 0.200 0.000 0.851 320 L CB 0.867 43.035 42.059 0.183 0.000 1.218 320 L HN 0.667 nan 8.230 nan 0.000 0.420 321 Y N 5.108 125.363 120.300 -0.075 0.000 2.364 321 Y HA 0.490 5.223 4.550 0.304 0.000 0.340 321 Y C -0.543 175.021 175.900 -0.560 0.000 0.975 321 Y CA -0.982 56.891 58.100 -0.379 0.000 1.089 321 Y CB 1.499 39.390 38.460 -0.949 0.000 1.192 321 Y HN 0.779 nan 8.280 nan 0.000 0.454 322 C N 7.812 126.345 119.300 -1.278 0.000 2.200 322 C HA 0.873 5.513 4.460 0.300 0.000 0.328 322 C C 0.453 174.539 174.990 -1.507 0.000 1.148 322 C CA -0.366 57.745 59.018 -1.512 0.000 1.624 322 C CB -2.242 24.925 27.740 -0.954 0.000 2.167 322 C HN 0.986 nan 8.230 nan 0.000 0.484 323 A N 4.613 126.695 122.820 -1.230 0.000 2.313 323 A HA 0.460 4.960 4.320 0.300 0.000 0.261 323 A C 0.464 177.850 177.584 -0.330 0.000 1.090 323 A CA -0.403 51.227 52.037 -0.678 0.000 0.807 323 A CB 0.073 18.956 19.000 -0.195 0.000 1.055 323 A HN 0.999 nan 8.150 nan 0.000 0.492 324 F N 0.826 120.637 119.950 -0.231 0.000 2.206 324 F HA 0.031 4.748 4.527 0.316 0.000 0.298 324 F C 0.870 176.571 175.800 -0.164 0.000 1.090 324 F CA 1.884 59.786 58.000 -0.162 0.000 1.323 324 F CB 0.031 38.981 39.000 -0.082 0.000 1.028 324 F HN 0.845 nan 8.300 nan 0.000 0.492 325 N N -1.951 116.733 118.700 -0.027 0.000 3.339 325 N HA 0.040 4.960 4.740 0.300 0.000 0.275 325 N C 0.194 175.681 175.510 -0.039 0.000 1.514 325 N CA -0.041 52.941 53.050 -0.114 0.000 0.879 325 N CB -0.127 38.313 38.487 -0.080 0.000 1.557 325 N HN -0.045 nan 8.380 nan 0.000 0.524 326 E N 0.174 120.340 120.200 -0.056 0.000 2.209 326 E HA -0.144 4.386 4.350 0.300 0.000 0.196 326 E C 1.042 177.637 176.600 -0.008 0.000 0.993 326 E CA 1.278 57.658 56.400 -0.033 0.000 0.819 326 E CB -0.381 29.285 29.700 -0.056 0.000 0.745 326 E HN 0.668 nan 8.360 nan 0.000 0.477 327 L N 0.722 121.951 121.223 0.009 0.000 2.068 327 L HA -0.053 4.467 4.340 0.300 0.000 0.204 327 L C 2.516 179.416 176.870 0.049 0.000 1.076 327 L CA 1.405 56.255 54.840 0.016 0.000 0.753 327 L CB -0.487 41.583 42.059 0.018 0.000 0.910 327 L HN 0.078 nan 8.230 nan 0.000 0.439 328 D N 0.223 120.677 120.400 0.090 0.000 2.218 328 D HA -0.249 4.571 4.640 0.300 0.000 0.204 328 D C 2.054 178.466 176.300 0.187 0.000 0.976 328 D CA 1.127 55.212 54.000 0.142 0.000 0.853 328 D CB 0.227 41.141 40.800 0.191 0.000 0.939 328 D HN 0.319 nan 8.370 nan 0.000 0.481 329 E N -0.490 119.791 120.200 0.135 0.000 2.028 329 E HA -0.171 4.359 4.350 0.300 0.000 0.191 329 E C 2.051 178.738 176.600 0.145 0.000 0.988 329 E CA 1.019 57.515 56.400 0.161 0.000 0.799 329 E CB -0.219 29.529 29.700 0.080 0.000 0.755 329 E HN 0.295 nan 8.360 nan 0.000 0.447 330 A N 1.062 123.915 122.820 0.055 0.000 1.883 330 A HA -0.223 4.277 4.320 0.300 0.000 0.217 330 A C 2.200 179.773 177.584 -0.020 0.000 1.186 330 A CA 1.813 53.845 52.037 -0.009 0.000 0.624 330 A CB -0.582 18.388 19.000 -0.050 0.000 0.822 330 A HN 0.165 nan 8.150 nan 0.000 0.444 331 R N -1.631 118.878 120.500 0.015 0.000 2.080 331 R HA -0.141 4.379 4.340 0.300 0.000 0.236 331 R C 1.952 178.249 176.300 -0.005 0.000 1.137 331 R CA 1.929 58.028 56.100 -0.000 0.000 0.943 331 R CB -0.622 29.694 30.300 0.026 0.000 0.846 331 R HN 0.625 nan 8.270 nan 0.000 0.431 332 F N 0.244 120.123 119.950 -0.118 0.000 2.161 332 F HA -0.199 4.512 4.527 0.306 0.000 0.300 332 F C 1.722 177.377 175.800 -0.241 0.000 1.089 332 F CA 1.220 59.085 58.000 -0.225 0.000 1.282 332 F CB -0.116 38.650 39.000 -0.390 0.000 1.010 332 F HN -0.197 nan 8.300 nan 0.000 0.485 333 V N -0.212 119.629 119.914 -0.122 0.000 2.270 333 V HA -0.274 4.026 4.120 0.300 0.000 0.245 333 V C 2.402 178.154 176.094 -0.570 0.000 1.043 333 V CA 1.693 63.704 62.300 -0.482 0.000 1.014 333 V CB -0.742 30.855 31.823 -0.377 0.000 0.645 333 V HN 0.266 nan 8.190 nan 0.000 0.447 334 V N 1.290 121.003 119.914 -0.336 0.000 2.469 334 V HA -0.283 4.017 4.120 0.300 0.000 0.251 334 V C 2.418 178.369 176.094 -0.239 0.000 1.064 334 V CA 2.260 64.406 62.300 -0.258 0.000 1.066 334 V CB -0.948 30.780 31.823 -0.159 0.000 0.667 334 V HN 0.686 nan 8.190 nan 0.000 0.461 335 N N 0.753 119.286 118.700 -0.277 0.000 2.106 335 N HA -0.172 4.748 4.740 0.300 0.000 0.188 335 N C 2.009 177.358 175.510 -0.268 0.000 1.029 335 N CA 1.438 54.338 53.050 -0.250 0.000 0.848 335 N CB -0.124 38.198 38.487 -0.275 0.000 1.007 335 N HN 0.405 nan 8.380 nan 0.000 0.423 336 R N 0.237 120.486 120.500 -0.419 0.000 2.189 336 R HA 0.053 4.573 4.340 0.300 0.000 0.223 336 R C 2.224 178.499 176.300 -0.041 0.000 1.092 336 R CA 0.417 56.362 56.100 -0.259 0.000 0.989 336 R CB -0.092 30.019 30.300 -0.316 0.000 0.876 336 R HN 0.389 nan 8.270 nan 0.000 0.457 337 I N 0.563 121.053 120.570 -0.133 0.000 2.353 337 I HA -0.230 4.120 4.170 0.300 0.000 0.248 337 I C 2.386 178.579 176.117 0.126 0.000 1.119 337 I CA 1.105 62.417 61.300 0.020 0.000 1.417 337 I CB -0.115 37.819 38.000 -0.110 0.000 1.078 337 I HN 0.073 nan 8.210 nan 0.000 0.421 338 K N 0.416 120.828 120.400 0.020 0.000 2.009 338 K HA -0.188 4.312 4.320 0.300 0.000 0.210 338 K C 2.076 178.710 176.600 0.057 0.000 1.049 338 K CA 2.190 58.494 56.287 0.028 0.000 0.929 338 K CB -0.186 32.301 32.500 -0.021 0.000 0.714 338 K HN 0.252 nan 8.250 nan 0.000 0.440 339 T N 0.632 115.215 114.554 0.048 0.000 2.665 339 T HA -0.236 4.294 4.350 0.300 0.000 0.268 339 T C 1.210 175.985 174.700 0.126 0.000 1.035 339 T CA 1.545 63.681 62.100 0.061 0.000 1.151 339 T CB -0.435 68.463 68.868 0.051 0.000 0.862 339 T HN 0.496 nan 8.240 nan 0.000 0.438 340 W N 2.007 123.307 121.300 -0.001 0.000 2.338 340 W HA -0.230 4.613 4.660 0.305 0.000 0.304 340 W C 2.198 178.727 176.519 0.016 0.000 1.212 340 W CA 1.729 59.086 57.345 0.021 0.000 1.264 340 W CB -0.437 29.056 29.460 0.056 0.000 1.142 340 W HN 0.370 nan 8.180 nan 0.000 0.512 341 Q N 0.453 120.304 119.800 0.084 0.000 2.016 341 Q HA -0.215 4.305 4.340 0.300 0.000 0.200 341 Q C 1.736 177.679 176.000 -0.095 0.000 0.978 341 Q CA 2.166 57.944 55.803 -0.042 0.000 0.833 341 Q CB -0.469 28.307 28.738 0.064 0.000 0.895 341 Q HN 0.018 nan 8.270 nan 0.000 0.427 342 D N 0.477 120.851 120.400 -0.043 0.000 2.311 342 D HA -0.114 4.706 4.640 0.300 0.000 0.212 342 D C 0.433 176.686 176.300 -0.079 0.000 0.972 342 D CA 0.733 54.704 54.000 -0.048 0.000 0.887 342 D CB -0.154 40.632 40.800 -0.023 0.000 0.915 342 D HN 0.272 nan 8.370 nan 0.000 0.497 343 N N -0.376 118.248 118.700 -0.126 0.000 2.321 343 N HA 0.206 5.126 4.740 0.300 0.000 0.242 343 N C 0.828 176.192 175.510 -0.242 0.000 1.141 343 N CA 0.345 53.305 53.050 -0.150 0.000 0.864 343 N CB 1.106 39.519 38.487 -0.122 0.000 1.100 343 N HN 0.108 nan 8.380 nan 0.000 0.510 344 G N -0.116 108.538 108.800 -0.242 0.000 2.160 344 G HA2 -0.196 3.944 3.960 0.300 0.000 0.244 344 G HA3 -0.196 3.944 3.960 0.300 0.000 0.244 344 G C 0.359 175.008 174.900 -0.419 0.000 1.022 344 G CA -0.020 44.925 45.100 -0.258 0.000 0.741 344 G HN 0.552 nan 8.290 nan 0.000 0.508 345 G N -0.642 107.736 108.800 -0.703 0.000 2.412 345 G HA2 0.825 4.965 3.960 0.300 0.000 0.318 345 G HA3 0.825 4.965 3.960 0.300 0.000 0.318 345 G C 0.260 174.967 174.900 -0.321 0.000 1.146 345 G CA 0.397 44.824 45.100 -1.122 0.000 0.882 345 G HN 1.492 nan 8.290 nan 0.000 0.501 346 A N 1.277 124.162 122.820 0.108 0.000 2.354 346 A HA 0.493 4.993 4.320 0.300 0.000 0.269 346 A C 1.415 179.261 177.584 0.437 0.000 1.109 346 A CA -0.614 51.564 52.037 0.234 0.000 0.800 346 A CB 0.523 19.645 19.000 0.203 0.000 1.045 346 A HN 0.687 nan 8.150 nan 0.000 0.489 347 L N 1.982 123.366 121.223 0.268 0.000 2.046 347 L HA -0.212 4.308 4.340 0.300 0.000 0.208 347 L C 2.862 179.853 176.870 0.202 0.000 1.077 347 L CA 1.697 56.680 54.840 0.237 0.000 0.747 347 L CB -0.580 41.560 42.059 0.134 0.000 0.896 347 L HN 0.851 nan 8.230 nan 0.000 0.432 348 A N -0.321 122.609 122.820 0.182 0.000 2.131 348 A HA -0.182 4.318 4.320 0.300 0.000 0.220 348 A C 1.896 179.625 177.584 0.242 0.000 1.158 348 A CA 1.252 53.398 52.037 0.182 0.000 0.665 348 A CB -0.428 18.661 19.000 0.148 0.000 0.795 348 A HN 0.488 nan 8.150 nan 0.000 0.460 349 E N -1.217 119.149 120.200 0.276 0.000 2.494 349 E HA 0.066 4.596 4.350 0.300 0.000 0.193 349 E C -0.668 175.985 176.600 0.089 0.000 1.074 349 E CA -0.319 56.246 56.400 0.275 0.000 0.867 349 E CB -0.143 29.820 29.700 0.439 0.000 0.924 349 E HN 0.545 nan 8.360 nan 0.000 0.502 350 C N 1.060 120.382 119.300 0.037 0.000 2.369 350 C HA 0.742 5.382 4.460 0.300 0.000 0.322 350 C C 0.203 175.090 174.990 -0.172 0.000 1.258 350 C CA -0.807 58.149 59.018 -0.104 0.000 1.487 350 C CB 0.883 28.579 27.740 -0.073 0.000 2.165 350 C HN 0.290 nan 8.230 nan 0.000 0.483 351 A N 3.695 126.314 122.820 -0.335 0.000 2.365 351 A HA 0.908 5.408 4.320 0.300 0.000 0.318 351 A C -0.926 176.536 177.584 -0.204 0.000 1.091 351 A CA -0.423 51.283 52.037 -0.553 0.000 0.763 351 A CB 0.670 18.787 19.000 -1.471 0.000 1.248 351 A HN 0.828 nan 8.150 nan 0.000 0.442 352 I N 2.796 123.277 120.570 -0.149 0.000 2.362 352 I HA 0.352 4.702 4.170 0.300 0.000 0.289 352 I C -0.854 175.185 176.117 -0.129 0.000 0.994 352 I CA -0.233 61.056 61.300 -0.018 0.000 1.158 352 I CB 1.315 39.331 38.000 0.026 0.000 1.315 352 I HN 0.468 nan 8.210 nan 0.000 0.451 353 L N 7.361 128.510 121.223 -0.123 0.000 2.329 353 L HA 0.584 5.104 4.340 0.300 0.000 0.279 353 L C -1.034 175.738 176.870 -0.163 0.000 1.014 353 L CA -0.936 53.718 54.840 -0.310 0.000 0.814 353 L CB 1.451 43.361 42.059 -0.249 0.000 1.257 353 L HN 0.483 nan 8.230 nan 0.000 0.424 354 Y N -0.319 119.934 120.300 -0.078 0.000 2.581 354 Y HA 0.613 5.338 4.550 0.292 0.000 0.345 354 Y C 0.511 176.320 175.900 -0.152 0.000 1.036 354 Y CA -1.490 56.557 58.100 -0.088 0.000 1.042 354 Y CB 1.140 39.570 38.460 -0.050 0.000 1.289 354 Y HN 0.380 nan 8.280 nan 0.000 0.471 355 R N 1.328 121.828 120.500 0.000 0.000 2.090 355 R HA 0.123 4.642 4.340 0.300 0.000 0.228 355 R C -0.348 175.978 176.300 0.042 0.000 1.110 355 R CA 1.374 57.401 56.100 -0.122 0.000 0.973 355 R CB -0.189 30.027 30.300 -0.141 0.000 0.869 355 R HN 0.815 nan 8.270 nan 0.000 0.440 356 S N -1.309 114.472 115.700 0.135 0.000 2.549 356 S HA 0.354 5.004 4.470 0.300 0.000 0.280 356 S C -0.028 174.657 174.600 0.142 0.000 1.109 356 S CA -1.014 57.248 58.200 0.104 0.000 0.905 356 S CB 1.569 64.779 63.200 0.016 0.000 1.081 356 S HN 0.173 nan 8.310 nan 0.000 0.477 357 N N 1.621 120.390 118.700 0.116 0.000 2.137 357 N HA -0.173 4.747 4.740 0.300 0.000 0.190 357 N C 1.996 177.395 175.510 -0.185 0.000 1.017 357 N CA 1.581 54.651 53.050 0.034 0.000 0.859 357 N CB -0.768 37.758 38.487 0.066 0.000 1.002 357 N HN 0.873 nan 8.380 nan 0.000 0.428 358 A N 1.481 124.229 122.820 -0.121 0.000 2.042 358 A HA -0.227 4.273 4.320 0.300 0.000 0.222 358 A C 2.072 179.521 177.584 -0.225 0.000 1.167 358 A CA 1.437 53.388 52.037 -0.143 0.000 0.649 358 A CB -0.597 18.345 19.000 -0.097 0.000 0.809 358 A HN 0.432 nan 8.150 nan 0.000 0.457 359 Q N -0.149 119.463 119.800 -0.312 0.000 2.436 359 Q HA -0.084 4.436 4.340 0.300 0.000 0.209 359 Q C 2.222 177.911 176.000 -0.518 0.000 0.965 359 Q CA 1.193 56.782 55.803 -0.357 0.000 0.910 359 Q CB -0.188 28.385 28.738 -0.275 0.000 0.980 359 Q HN 0.890 nan 8.270 nan 0.000 0.491 360 S N 0.455 115.725 115.700 -0.718 0.000 2.428 360 S HA -0.150 4.500 4.470 0.300 0.000 0.230 360 S C 1.874 176.286 174.600 -0.313 0.000 1.014 360 S CA 0.477 58.315 58.200 -0.604 0.000 0.957 360 S CB -0.070 62.812 63.200 -0.530 0.000 0.784 360 S HN 0.288 nan 8.310 nan 0.000 0.499 361 R N 0.799 121.156 120.500 -0.238 0.000 2.080 361 R HA -0.074 4.446 4.340 0.300 0.000 0.236 361 R C 2.075 178.282 176.300 -0.156 0.000 1.137 361 R CA 1.982 57.986 56.100 -0.161 0.000 0.943 361 R CB -0.761 29.465 30.300 -0.124 0.000 0.846 361 R HN 0.399 nan 8.270 nan 0.000 0.431 362 V N 1.298 121.120 119.914 -0.155 0.000 2.407 362 V HA -0.242 4.058 4.120 0.300 0.000 0.248 362 V C 2.303 178.313 176.094 -0.140 0.000 1.055 362 V CA 1.629 63.853 62.300 -0.126 0.000 1.049 362 V CB -0.342 31.418 31.823 -0.106 0.000 0.662 362 V HN 0.333 nan 8.190 nan 0.000 0.455 363 L N -0.316 120.799 121.223 -0.180 0.000 2.056 363 L HA -0.171 4.349 4.340 0.300 0.000 0.207 363 L C 2.555 179.256 176.870 -0.283 0.000 1.078 363 L CA 1.874 56.595 54.840 -0.198 0.000 0.749 363 L CB -0.568 41.375 42.059 -0.193 0.000 0.901 363 L HN 0.373 nan 8.230 nan 0.000 0.433 364 E N 0.589 120.590 120.200 -0.331 0.000 2.058 364 E HA -0.269 4.261 4.350 0.300 0.000 0.194 364 E C 1.977 178.420 176.600 -0.263 0.000 0.997 364 E CA 1.675 57.805 56.400 -0.451 0.000 0.801 364 E CB 0.059 29.594 29.700 -0.275 0.000 0.746 364 E HN 0.507 nan 8.360 nan 0.000 0.450 365 E N -0.032 120.075 120.200 -0.154 0.000 2.150 365 E HA -0.170 4.360 4.350 0.300 0.000 0.193 365 E C 2.029 178.580 176.600 -0.082 0.000 0.985 365 E CA 0.783 57.131 56.400 -0.087 0.000 0.814 365 E CB -0.107 29.553 29.700 -0.067 0.000 0.752 365 E HN 0.362 nan 8.360 nan 0.000 0.466 366 A N 1.299 124.054 122.820 -0.108 0.000 1.929 366 A HA -0.090 4.410 4.320 0.300 0.000 0.216 366 A C 2.197 179.727 177.584 -0.089 0.000 1.176 366 A CA 0.751 52.735 52.037 -0.088 0.000 0.628 366 A CB -0.493 18.452 19.000 -0.091 0.000 0.816 366 A HN 0.102 nan 8.150 nan 0.000 0.444 367 L N -0.630 120.509 121.223 -0.140 0.000 2.017 367 L HA -0.190 4.330 4.340 0.300 0.000 0.208 367 L C 2.592 179.471 176.870 0.015 0.000 1.073 367 L CA 1.156 55.939 54.840 -0.096 0.000 0.745 367 L CB -0.553 41.360 42.059 -0.243 0.000 0.894 367 L HN 0.374 nan 8.230 nan 0.000 0.432 368 L N -0.628 120.615 121.223 0.033 0.000 2.012 368 L HA -0.267 4.253 4.340 0.300 0.000 0.210 368 L C 2.573 179.459 176.870 0.027 0.000 1.073 368 L CA 1.363 56.250 54.840 0.077 0.000 0.748 368 L CB -0.538 41.563 42.059 0.070 0.000 0.891 368 L HN 0.365 nan 8.230 nan 0.000 0.431 369 Q N -0.041 119.758 119.800 -0.001 0.000 2.561 369 Q HA -0.142 4.378 4.340 0.300 0.000 0.217 369 Q C 1.143 177.137 176.000 -0.010 0.000 0.980 369 Q CA 0.970 56.768 55.803 -0.009 0.000 0.927 369 Q CB 0.159 28.885 28.738 -0.021 0.000 0.980 369 Q HN 0.525 nan 8.270 nan 0.000 0.525 370 A N -1.149 121.667 122.820 -0.006 0.000 2.628 370 A HA 0.256 4.756 4.320 0.300 0.000 0.267 370 A C 0.547 178.133 177.584 0.004 0.000 1.159 370 A CA 0.261 52.292 52.037 -0.009 0.000 0.972 370 A CB 0.623 19.609 19.000 -0.025 0.000 1.211 370 A HN 0.211 nan 8.150 nan 0.000 0.576 371 S N -1.072 114.638 115.700 0.017 0.000 3.521 371 S HA -0.210 4.440 4.470 0.300 0.000 0.328 371 S C 0.180 174.797 174.600 0.027 0.000 1.165 371 S CA 1.310 59.522 58.200 0.021 0.000 0.941 371 S CB -1.811 61.395 63.200 0.009 0.000 0.951 371 S HN 0.806 nan 8.310 nan 0.000 0.539 372 M N 1.803 121.431 119.600 0.046 0.000 2.108 372 M HA 0.325 4.985 4.480 0.300 0.000 0.354 372 M C -2.645 173.721 176.300 0.111 0.000 1.229 372 M CA -1.951 53.383 55.300 0.057 0.000 1.081 372 M CB 0.978 33.603 32.600 0.041 0.000 1.606 372 M HN -0.191 nan 8.290 nan 0.000 0.467 373 P HA 0.204 nan 4.420 nan 0.000 0.271 373 P C -1.910 175.416 177.300 0.044 0.000 1.218 373 P CA 0.234 63.314 63.100 -0.034 0.000 0.780 373 P CB 0.350 31.995 31.700 -0.091 0.000 0.901 374 Y N -1.390 118.868 120.300 -0.071 0.000 2.656 374 Y HA 0.749 5.483 4.550 0.307 0.000 0.334 374 Y C -1.042 174.803 175.900 -0.093 0.000 1.179 374 Y CA -1.319 56.745 58.100 -0.060 0.000 1.050 374 Y CB 0.918 39.350 38.460 -0.047 0.000 1.308 374 Y HN -0.029 nan 8.280 nan 0.000 0.456 375 R N 1.743 122.295 120.500 0.087 0.000 2.502 375 R HA 0.655 5.175 4.340 0.300 0.000 0.300 375 R C -1.239 175.041 176.300 -0.033 0.000 0.984 375 R CA -0.721 55.300 56.100 -0.131 0.000 0.882 375 R CB 1.380 31.497 30.300 -0.304 0.000 1.180 375 R HN 0.789 nan 8.270 nan 0.000 0.444 376 I N 3.413 123.962 120.570 -0.035 0.000 2.312 376 I HA 0.356 4.706 4.170 0.300 0.000 0.290 376 I C -0.490 175.559 176.117 -0.113 0.000 1.008 376 I CA -0.738 60.601 61.300 0.066 0.000 1.226 376 I CB 0.965 39.055 38.000 0.151 0.000 1.371 376 I HN 0.672 nan 8.210 nan 0.000 0.468 377 Y N 4.986 125.338 120.300 0.085 0.000 2.636 377 Y HA 0.251 4.979 4.550 0.297 0.000 0.341 377 Y C 1.388 177.328 175.900 0.067 0.000 1.169 377 Y CA -0.501 57.633 58.100 0.057 0.000 1.498 377 Y CB 0.661 39.142 38.460 0.034 0.000 1.362 377 Y HN 0.659 nan 8.280 nan 0.000 0.494 378 G N 1.446 110.322 108.800 0.127 0.000 3.284 378 G HA2 0.224 4.364 3.960 0.300 0.000 0.236 378 G HA3 0.224 4.364 3.960 0.300 0.000 0.236 378 G C 0.890 175.851 174.900 0.103 0.000 1.158 378 G CA -0.192 44.977 45.100 0.116 0.000 0.774 378 G HN 0.884 nan 8.290 nan 0.000 0.545 379 G N 0.775 109.649 108.800 0.123 0.000 2.557 379 G HA2 -0.021 4.119 3.960 0.300 0.000 0.299 379 G HA3 -0.021 4.119 3.960 0.300 0.000 0.299 379 G C 0.504 175.459 174.900 0.092 0.000 0.146 379 G CA 0.757 45.920 45.100 0.105 0.000 1.150 379 G HN 1.081 nan 8.290 nan 0.000 0.532 380 M N -0.359 119.329 119.600 0.147 0.000 2.812 380 M HA -0.160 4.500 4.480 0.300 0.000 0.187 380 M C 1.016 177.440 176.300 0.207 0.000 1.037 380 M CA 1.400 56.840 55.300 0.233 0.000 0.675 380 M CB -1.160 31.530 32.600 0.149 0.000 1.329 380 M HN 0.924 nan 8.290 nan 0.000 0.802 381 R N -0.862 119.745 120.500 0.178 0.000 2.576 381 R HA 0.226 4.746 4.340 0.300 0.000 0.237 381 R C 1.488 177.825 176.300 0.063 0.000 0.917 381 R CA 0.442 56.609 56.100 0.112 0.000 1.002 381 R CB -0.032 30.314 30.300 0.078 0.000 1.428 381 R HN 0.439 nan 8.270 nan 0.000 0.603 382 F N 0.804 120.658 119.950 -0.159 0.000 2.171 382 F HA -0.031 4.675 4.527 0.298 0.000 0.300 382 F C 0.666 176.249 175.800 -0.362 0.000 1.090 382 F CA 1.465 59.254 58.000 -0.352 0.000 1.293 382 F CB 0.001 38.623 39.000 -0.631 0.000 1.013 382 F HN -0.013 nan 8.300 nan 0.000 0.486 383 F N 0.337 120.287 119.950 -0.000 0.000 2.725 383 F HA 0.091 4.798 4.527 0.300 0.000 0.303 383 F C 1.719 177.472 175.800 -0.079 0.000 1.167 383 F CA -0.042 57.905 58.000 -0.088 0.000 1.403 383 F CB -0.376 38.643 39.000 0.032 0.000 1.077 383 F HN -0.012 nan 8.300 nan 0.000 0.537 384 E N 0.195 120.405 120.200 0.017 0.000 2.290 384 E HA 0.093 4.623 4.350 0.300 0.000 0.197 384 E C 0.755 177.328 176.600 -0.044 0.000 0.948 384 E CA 0.095 56.510 56.400 0.025 0.000 0.895 384 E CB -0.053 29.671 29.700 0.039 0.000 0.865 384 E HN 0.306 nan 8.360 nan 0.000 0.486 385 R N 2.387 122.801 120.500 -0.143 0.000 2.494 385 R HA -0.095 4.425 4.340 0.300 0.000 0.291 385 R C 1.435 177.659 176.300 -0.126 0.000 0.953 385 R CA 0.219 56.219 56.100 -0.167 0.000 1.098 385 R CB 0.239 30.359 30.300 -0.301 0.000 0.911 385 R HN 0.255 nan 8.270 nan 0.000 0.407 386 Q N 2.922 122.687 119.800 -0.059 0.000 2.045 386 Q HA -0.355 4.165 4.340 0.300 0.000 0.215 386 Q C 1.739 177.748 176.000 0.016 0.000 1.026 386 Q CA 2.548 58.356 55.803 0.009 0.000 0.885 386 Q CB 0.034 28.806 28.738 0.057 0.000 0.984 386 Q HN 0.725 nan 8.270 nan 0.000 0.414 387 E N 0.091 120.230 120.200 -0.101 0.000 2.130 387 E HA -0.224 4.306 4.350 0.300 0.000 0.196 387 E C 1.960 178.509 176.600 -0.085 0.000 0.998 387 E CA 1.439 57.717 56.400 -0.202 0.000 0.806 387 E CB -0.537 28.754 29.700 -0.681 0.000 0.738 387 E HN 0.485 nan 8.360 nan 0.000 0.459 388 I N 1.240 121.711 120.570 -0.165 0.000 2.286 388 I HA -0.115 4.235 4.170 0.300 0.000 0.245 388 I C 2.378 178.514 176.117 0.033 0.000 1.104 388 I CA 0.846 62.075 61.300 -0.118 0.000 1.397 388 I CB -0.881 36.888 38.000 -0.384 0.000 1.072 388 I HN 0.056 nan 8.210 nan 0.000 0.417 389 K N 0.917 121.331 120.400 0.025 0.000 2.103 389 K HA -0.175 4.325 4.320 0.300 0.000 0.207 389 K C 1.627 178.279 176.600 0.087 0.000 1.048 389 K CA 1.238 57.567 56.287 0.069 0.000 0.930 389 K CB -0.291 32.240 32.500 0.052 0.000 0.716 389 K HN 0.345 nan 8.250 nan 0.000 0.444 390 D N 0.323 120.790 120.400 0.111 0.000 2.084 390 D HA -0.107 4.713 4.640 0.300 0.000 0.196 390 D C 1.843 178.274 176.300 0.218 0.000 0.985 390 D CA 1.409 55.499 54.000 0.152 0.000 0.826 390 D CB -0.220 40.725 40.800 0.241 0.000 0.978 390 D HN 0.114 nan 8.370 nan 0.000 0.456 391 A N 1.308 124.271 122.820 0.238 0.000 1.873 391 A HA -0.164 4.336 4.320 0.300 0.000 0.218 391 A C 2.395 180.123 177.584 0.240 0.000 1.193 391 A CA 1.193 53.388 52.037 0.263 0.000 0.629 391 A CB -1.001 18.108 19.000 0.182 0.000 0.826 391 A HN 0.242 nan 8.150 nan 0.000 0.447 392 L N -0.185 121.151 121.223 0.189 0.000 2.450 392 L HA -0.110 4.410 4.340 0.300 0.000 0.224 392 L C 2.487 179.429 176.870 0.121 0.000 1.149 392 L CA 1.008 55.949 54.840 0.168 0.000 0.816 392 L CB -0.400 41.763 42.059 0.174 0.000 0.932 392 L HN 0.328 nan 8.230 nan 0.000 0.449 393 S N -1.311 114.446 115.700 0.095 0.000 2.395 393 S HA -0.079 4.571 4.470 0.300 0.000 0.225 393 S C 1.828 176.413 174.600 -0.024 0.000 1.027 393 S CA 0.626 58.830 58.200 0.008 0.000 0.965 393 S CB -0.141 63.020 63.200 -0.064 0.000 0.812 393 S HN 0.346 nan 8.310 nan 0.000 0.482 394 Y N 2.113 122.454 120.300 0.069 0.000 2.145 394 Y HA -0.058 4.672 4.550 0.300 0.000 0.286 394 Y C 2.131 178.046 175.900 0.024 0.000 1.145 394 Y CA 0.997 59.125 58.100 0.047 0.000 1.148 394 Y CB -0.475 38.007 38.460 0.038 0.000 0.981 394 Y HN 0.146 nan 8.280 nan 0.000 0.507 395 L N -0.410 120.928 121.223 0.191 0.000 2.013 395 L HA -0.302 4.218 4.340 0.300 0.000 0.212 395 L C 2.455 179.362 176.870 0.062 0.000 1.073 395 L CA 1.618 56.522 54.840 0.107 0.000 0.753 395 L CB -0.637 41.483 42.059 0.101 0.000 0.890 395 L HN 0.167 nan 8.230 nan 0.000 0.432 396 R N -0.044 120.489 120.500 0.056 0.000 2.091 396 R HA -0.158 4.362 4.340 0.300 0.000 0.238 396 R C 2.329 178.630 176.300 0.001 0.000 1.136 396 R CA 1.274 57.391 56.100 0.027 0.000 0.959 396 R CB -0.459 29.858 30.300 0.028 0.000 0.856 396 R HN 0.310 nan 8.270 nan 0.000 0.437 397 L N 0.374 121.599 121.223 0.003 0.000 2.046 397 L HA -0.178 4.342 4.340 0.300 0.000 0.208 397 L C 2.332 179.148 176.870 -0.090 0.000 1.077 397 L CA 1.221 56.038 54.840 -0.039 0.000 0.747 397 L CB -0.357 41.703 42.059 0.001 0.000 0.896 397 L HN 0.207 nan 8.230 nan 0.000 0.432 398 I N -0.281 120.269 120.570 -0.034 0.000 2.335 398 I HA -0.277 4.073 4.170 0.300 0.000 0.251 398 I C 2.558 178.640 176.117 -0.058 0.000 1.129 398 I CA 1.558 62.833 61.300 -0.042 0.000 1.402 398 I CB -0.476 37.525 38.000 0.002 0.000 1.069 398 I HN 0.236 nan 8.210 nan 0.000 0.424 399 V N -0.337 119.551 119.914 -0.044 0.000 2.649 399 V HA -0.012 4.288 4.120 0.300 0.000 0.248 399 V C 0.750 176.802 176.094 -0.071 0.000 1.054 399 V CA 1.568 63.841 62.300 -0.045 0.000 1.073 399 V CB -0.191 31.619 31.823 -0.021 0.000 0.699 399 V HN 0.489 nan 8.190 nan 0.000 0.463 400 N N -1.044 117.598 118.700 -0.097 0.000 2.666 400 N HA 0.249 5.169 4.740 0.300 0.000 0.260 400 N C 0.390 175.783 175.510 -0.195 0.000 1.077 400 N CA -0.580 52.391 53.050 -0.131 0.000 1.026 400 N CB 1.132 39.574 38.487 -0.074 0.000 1.653 400 N HN 0.048 nan 8.380 nan 0.000 0.533 401 R N 1.702 121.985 120.500 -0.362 0.000 2.189 401 R HA 0.131 4.651 4.340 0.300 0.000 0.218 401 R C 0.307 176.457 176.300 -0.249 0.000 1.074 401 R CA 0.508 56.256 56.100 -0.587 0.000 0.991 401 R CB -0.370 29.051 30.300 -1.464 0.000 0.883 401 R HN 0.556 nan 8.270 nan 0.000 0.457 402 N N 1.558 120.165 118.700 -0.153 0.000 2.521 402 N HA -0.091 4.829 4.740 0.300 0.000 0.188 402 N C 0.092 175.598 175.510 -0.006 0.000 1.146 402 N CA 0.334 53.354 53.050 -0.050 0.000 0.893 402 N CB -0.071 38.392 38.487 -0.040 0.000 0.975 402 N HN 0.128 nan 8.380 nan 0.000 0.451 403 D N 1.872 122.278 120.400 0.010 0.000 2.597 403 D HA -0.018 4.802 4.640 0.300 0.000 0.228 403 D C 0.257 176.619 176.300 0.104 0.000 1.120 403 D CA -0.110 53.914 54.000 0.041 0.000 1.083 403 D CB 0.160 40.980 40.800 0.034 0.000 1.116 403 D HN 0.009 nan 8.370 nan 0.000 0.487 404 D N 1.705 122.155 120.400 0.083 0.000 2.154 404 D HA -0.251 4.569 4.640 0.300 0.000 0.190 404 D C 1.950 178.344 176.300 0.157 0.000 1.003 404 D CA 1.759 55.833 54.000 0.124 0.000 0.849 404 D CB -0.139 40.694 40.800 0.055 0.000 0.942 404 D HN 0.492 nan 8.370 nan 0.000 0.446 405 A N 0.546 123.420 122.820 0.090 0.000 1.917 405 A HA -0.145 4.354 4.320 0.300 0.000 0.219 405 A C 2.280 179.910 177.584 0.077 0.000 1.182 405 A CA 2.822 54.904 52.037 0.073 0.000 0.633 405 A CB -0.785 18.239 19.000 0.040 0.000 0.819 405 A HN 0.294 nan 8.150 nan 0.000 0.448 406 A N -1.724 121.147 122.820 0.086 0.000 1.898 406 A HA 0.124 4.624 4.320 0.300 0.000 0.214 406 A C 2.015 179.648 177.584 0.081 0.000 1.183 406 A CA 1.250 53.321 52.037 0.057 0.000 0.622 406 A CB -0.685 18.342 19.000 0.046 0.000 0.824 406 A HN 0.620 nan 8.150 nan 0.000 0.444 407 F N 1.149 121.131 119.950 0.053 0.000 2.120 407 F HA -0.218 4.489 4.527 0.300 0.000 0.300 407 F C 2.342 178.167 175.800 0.042 0.000 1.095 407 F CA 2.272 60.344 58.000 0.121 0.000 1.249 407 F CB 0.020 39.125 39.000 0.175 0.000 0.995 407 F HN 0.249 nan 8.300 nan 0.000 0.480 408 E N 0.028 120.328 120.200 0.166 0.000 2.047 408 E HA -0.234 4.296 4.350 0.300 0.000 0.191 408 E C 2.402 178.964 176.600 -0.063 0.000 0.987 408 E CA 1.003 57.434 56.400 0.051 0.000 0.799 408 E CB -0.488 29.277 29.700 0.108 0.000 0.752 408 E HN 0.426 nan 8.360 nan 0.000 0.449 409 R N 0.919 121.393 120.500 -0.043 0.000 2.152 409 R HA -0.110 4.410 4.340 0.300 0.000 0.232 409 R C 1.956 178.189 176.300 -0.112 0.000 1.117 409 R CA 1.457 57.524 56.100 -0.056 0.000 0.981 409 R CB 0.230 30.515 30.300 -0.025 0.000 0.870 409 R HN 0.164 nan 8.270 nan 0.000 0.451 410 V N -4.535 115.256 119.914 -0.205 0.000 3.382 410 V HA 0.120 4.420 4.120 0.300 0.000 0.296 410 V C 1.510 177.447 176.094 -0.262 0.000 1.529 410 V CA 0.152 62.314 62.300 -0.231 0.000 1.048 410 V CB 0.244 31.759 31.823 -0.514 0.000 0.878 410 V HN 0.009 nan 8.190 nan 0.000 0.442 411 V N 2.348 121.931 119.914 -0.553 0.000 2.370 411 V HA -0.241 4.059 4.120 0.300 0.000 0.252 411 V C 1.527 177.146 176.094 -0.791 0.000 1.068 411 V CA 3.043 64.609 62.300 -1.223 0.000 1.061 411 V CB -0.437 30.637 31.823 -1.249 0.000 0.656 411 V HN 0.815 nan 8.190 nan 0.000 0.455 412 N N -0.276 118.197 118.700 -0.379 0.000 2.553 412 N HA 0.225 5.145 4.740 0.300 0.000 0.298 412 N C -1.078 174.376 175.510 -0.095 0.000 1.596 412 N CA 0.060 52.988 53.050 -0.204 0.000 0.910 412 N CB 0.578 38.963 38.487 -0.170 0.000 1.336 412 N HN 0.408 nan 8.380 nan 0.000 0.497 413 T N 1.607 116.138 114.554 -0.039 0.000 3.170 413 T HA 0.333 4.863 4.350 0.300 0.000 0.315 413 T C -2.910 171.868 174.700 0.130 0.000 0.967 413 T CA -0.867 61.238 62.100 0.009 0.000 1.024 413 T CB 2.299 71.160 68.868 -0.011 0.000 1.018 413 T HN 0.072 nan 8.240 nan 0.000 0.449 414 P HA 0.137 nan 4.420 nan 0.000 0.272 414 P C 0.276 177.576 177.300 0.001 0.000 1.240 414 P CA -0.271 62.824 63.100 -0.010 0.000 0.791 414 P CB 0.147 31.826 31.700 -0.035 0.000 0.978 415 T N -0.914 113.624 114.554 -0.027 0.000 2.891 415 T HA 0.055 4.585 4.350 0.300 0.000 0.296 415 T C 0.653 175.348 174.700 -0.008 0.000 1.025 415 T CA -0.263 61.821 62.100 -0.027 0.000 1.149 415 T CB -0.366 68.484 68.868 -0.030 0.000 1.007 415 T HN 0.659 nan 8.240 nan 0.000 0.528 416 R N 1.836 122.329 120.500 -0.013 0.000 2.583 416 R HA 0.527 5.047 4.340 0.300 0.000 0.282 416 R C 1.075 177.370 176.300 -0.008 0.000 1.288 416 R CA -0.518 55.588 56.100 0.009 0.000 1.415 416 R CB -0.130 30.203 30.300 0.056 0.000 1.331 416 R HN 1.058 nan 8.270 nan 0.000 0.719 417 G N 2.051 110.840 108.800 -0.018 0.000 5.155 417 G HA2 -0.365 3.775 3.960 0.300 0.000 0.239 417 G HA3 -0.365 3.775 3.960 0.300 0.000 0.239 417 G C 0.406 175.282 174.900 -0.039 0.000 1.409 417 G CA 0.050 45.138 45.100 -0.021 0.000 0.927 417 G HN 0.367 nan 8.290 nan 0.000 0.710 418 I N 3.728 124.263 120.570 -0.059 0.000 3.650 418 I HA 0.139 4.489 4.170 0.300 0.000 0.313 418 I C 1.572 177.641 176.117 -0.080 0.000 1.250 418 I CA 0.838 62.087 61.300 -0.085 0.000 1.457 418 I CB -1.004 36.896 38.000 -0.167 0.000 1.469 418 I HN 0.589 nan 8.210 nan 0.000 0.532 419 G N 4.067 112.837 108.800 -0.050 0.000 2.613 419 G HA2 0.183 4.323 3.960 0.300 0.000 0.303 419 G HA3 0.183 4.323 3.960 0.300 0.000 0.303 419 G C 0.610 175.492 174.900 -0.031 0.000 1.312 419 G CA -0.378 44.698 45.100 -0.040 0.000 1.036 419 G HN 0.513 nan 8.290 nan 0.000 0.513 420 D N -0.106 120.282 120.400 -0.021 0.000 2.106 420 D HA -0.136 4.684 4.640 0.300 0.000 0.191 420 D C 2.613 178.910 176.300 -0.005 0.000 0.997 420 D CA 0.944 54.938 54.000 -0.010 0.000 0.834 420 D CB 0.054 40.852 40.800 -0.004 0.000 0.956 420 D HN 0.133 nan 8.370 nan 0.000 0.448 421 R N 0.493 120.990 120.500 -0.005 0.000 2.122 421 R HA -0.111 4.409 4.340 0.300 0.000 0.236 421 R C 2.473 178.771 176.300 -0.003 0.000 1.129 421 R CA 1.280 57.379 56.100 -0.003 0.000 0.925 421 R CB -1.721 28.577 30.300 -0.004 0.000 0.850 421 R HN 0.241 nan 8.270 nan 0.000 0.431 422 T N 2.447 116.996 114.554 -0.008 0.000 2.721 422 T HA -0.130 4.400 4.350 0.300 0.000 0.268 422 T C 2.036 176.736 174.700 0.000 0.000 1.038 422 T CA 1.453 63.548 62.100 -0.008 0.000 1.145 422 T CB -0.219 68.638 68.868 -0.017 0.000 0.858 422 T HN 0.153 nan 8.240 nan 0.000 0.459 423 L N 0.618 121.842 121.223 0.003 0.000 2.095 423 L HA -0.040 4.480 4.340 0.300 0.000 0.204 423 L C 2.534 179.419 176.870 0.025 0.000 1.080 423 L CA 1.037 55.891 54.840 0.023 0.000 0.759 423 L CB -0.576 41.495 42.059 0.020 0.000 0.914 423 L HN 0.138 nan 8.230 nan 0.000 0.439 424 D N 0.066 120.476 120.400 0.016 0.000 2.228 424 D HA -0.168 4.652 4.640 0.300 0.000 0.203 424 D C 2.239 178.547 176.300 0.012 0.000 0.988 424 D CA 1.231 55.241 54.000 0.017 0.000 0.864 424 D CB 0.018 40.826 40.800 0.013 0.000 0.928 424 D HN 0.167 nan 8.370 nan 0.000 0.469 425 V N 0.715 120.634 119.914 0.008 0.000 2.283 425 V HA -0.194 4.106 4.120 0.300 0.000 0.243 425 V C 2.721 178.816 176.094 0.001 0.000 1.039 425 V CA 0.961 63.263 62.300 0.003 0.000 1.016 425 V CB -0.447 31.376 31.823 -0.001 0.000 0.650 425 V HN 0.038 nan 8.190 nan 0.000 0.449 426 V N 0.350 120.267 119.914 0.005 0.000 2.295 426 V HA -0.284 4.016 4.120 0.300 0.000 0.246 426 V C 2.584 178.676 176.094 -0.004 0.000 1.049 426 V CA 2.206 64.504 62.300 -0.003 0.000 1.024 426 V CB -0.945 30.890 31.823 0.021 0.000 0.648 426 V HN 0.485 nan 8.190 nan 0.000 0.447 427 R N 0.122 120.631 120.500 0.016 0.000 2.097 427 R HA -0.254 4.266 4.340 0.300 0.000 0.236 427 R C 2.494 178.799 176.300 0.008 0.000 1.135 427 R CA 2.047 58.158 56.100 0.018 0.000 0.934 427 R CB -0.926 29.394 30.300 0.033 0.000 0.846 427 R HN 0.525 nan 8.270 nan 0.000 0.431 428 Q N 0.540 120.345 119.800 0.008 0.000 2.112 428 Q HA -0.186 4.334 4.340 0.300 0.000 0.206 428 Q C 2.103 178.101 176.000 -0.003 0.000 0.987 428 Q CA 2.354 58.160 55.803 0.004 0.000 0.858 428 Q CB -0.803 27.937 28.738 0.004 0.000 0.905 428 Q HN 0.637 nan 8.270 nan 0.000 0.420 429 T N 0.207 114.756 114.554 -0.008 0.000 2.684 429 T HA -0.146 4.384 4.350 0.300 0.000 0.267 429 T C 2.088 176.778 174.700 -0.016 0.000 1.036 429 T CA 1.615 63.706 62.100 -0.015 0.000 1.148 429 T CB -0.516 68.338 68.868 -0.023 0.000 0.863 429 T HN 0.523 nan 8.240 nan 0.000 0.436 430 S N 0.902 116.590 115.700 -0.020 0.000 2.356 430 S HA -0.106 4.543 4.470 0.300 0.000 0.223 430 S C 2.143 176.737 174.600 -0.009 0.000 1.032 430 S CA 1.194 59.382 58.200 -0.020 0.000 1.005 430 S CB -0.268 62.916 63.200 -0.026 0.000 0.867 430 S HN 0.296 nan 8.310 nan 0.000 0.449 431 R N 2.093 122.592 120.500 -0.002 0.000 2.080 431 R HA -0.098 4.422 4.340 0.300 0.000 0.236 431 R C 1.538 177.837 176.300 -0.001 0.000 1.137 431 R CA 2.071 58.172 56.100 0.003 0.000 0.943 431 R CB -0.975 29.329 30.300 0.008 0.000 0.846 431 R HN 0.324 nan 8.270 nan 0.000 0.431 432 D N -0.141 120.257 120.400 -0.003 0.000 2.123 432 D HA -0.094 4.726 4.640 0.300 0.000 0.200 432 D C 1.374 177.671 176.300 -0.005 0.000 0.976 432 D CA 1.170 55.167 54.000 -0.004 0.000 0.831 432 D CB -0.110 40.687 40.800 -0.005 0.000 0.974 432 D HN 0.303 nan 8.370 nan 0.000 0.469 433 R N 0.312 120.808 120.500 -0.007 0.000 2.388 433 R HA 0.073 4.593 4.340 0.300 0.000 0.247 433 R C -0.144 176.152 176.300 -0.006 0.000 0.931 433 R CA -0.025 56.071 56.100 -0.007 0.000 1.082 433 R CB 0.444 30.738 30.300 -0.009 0.000 1.135 433 R HN -0.116 nan 8.270 nan 0.000 0.525 434 Q N 0.246 120.042 119.800 -0.006 0.000 2.447 434 Q HA -0.152 4.368 4.340 0.300 0.000 0.348 434 Q C -0.510 175.486 176.000 -0.007 0.000 1.421 434 Q CA 0.904 56.703 55.803 -0.006 0.000 0.978 434 Q CB -2.194 26.541 28.738 -0.005 0.000 1.191 434 Q HN 0.421 nan 8.270 nan 0.000 0.371 435 L N -1.108 120.109 121.223 -0.010 0.000 2.303 435 L HA 0.808 5.328 4.340 0.300 0.000 0.256 435 L C 0.975 177.834 176.870 -0.018 0.000 1.034 435 L CA -0.874 53.961 54.840 -0.009 0.000 0.832 435 L CB 2.042 44.095 42.059 -0.011 0.000 1.403 435 L HN 0.390 nan 8.230 nan 0.000 0.419 436 T N -2.025 112.521 114.554 -0.013 0.000 2.910 436 T HA 0.335 4.865 4.350 0.300 0.000 0.293 436 T C 1.317 175.966 174.700 -0.084 0.000 1.015 436 T CA -0.711 61.372 62.100 -0.028 0.000 1.094 436 T CB 0.930 69.798 68.868 -0.001 0.000 0.968 436 T HN 0.489 nan 8.240 nan 0.000 0.521 437 L N 0.684 121.811 121.223 -0.160 0.000 2.103 437 L HA -0.142 4.378 4.340 0.300 0.000 0.215 437 L C 2.430 178.949 176.870 -0.585 0.000 1.080 437 L CA 1.760 56.387 54.840 -0.355 0.000 0.764 437 L CB -0.469 41.331 42.059 -0.431 0.000 0.890 437 L HN 0.806 nan 8.230 nan 0.000 0.435 438 W N 0.914 121.788 121.300 -0.709 0.000 2.453 438 W HA -0.170 4.670 4.660 0.300 0.000 0.289 438 W C 2.409 178.798 176.519 -0.217 0.000 1.215 438 W CA 1.304 58.344 57.345 -0.508 0.000 1.297 438 W CB -0.085 29.220 29.460 -0.258 0.000 1.113 438 W HN 0.220 nan 8.180 nan 0.000 0.551 439 Q N 1.385 121.250 119.800 0.109 0.000 2.084 439 Q HA -0.125 4.395 4.340 0.300 0.000 0.202 439 Q C 2.315 178.290 176.000 -0.042 0.000 0.978 439 Q CA 2.911 58.758 55.803 0.074 0.000 0.844 439 Q CB -0.905 27.869 28.738 0.060 0.000 0.898 439 Q HN 0.189 nan 8.270 nan 0.000 0.426 440 A N -0.739 122.030 122.820 -0.085 0.000 1.902 440 A HA -0.188 4.312 4.320 0.300 0.000 0.217 440 A C 2.485 179.999 177.584 -0.117 0.000 1.181 440 A CA 1.478 53.463 52.037 -0.087 0.000 0.623 440 A CB -1.132 17.818 19.000 -0.082 0.000 0.818 440 A HN 0.574 nan 8.150 nan 0.000 0.443 441 C N -1.474 117.712 119.300 -0.190 0.000 2.429 441 C HA -0.065 4.575 4.460 0.300 0.000 0.277 441 C C 2.751 177.609 174.990 -0.220 0.000 1.262 441 C CA 1.295 60.191 59.018 -0.203 0.000 1.733 441 C CB -1.266 26.311 27.740 -0.272 0.000 2.010 441 C HN 0.697 nan 8.230 nan 0.000 0.483 442 R N 1.274 121.607 120.500 -0.279 0.000 2.115 442 R HA -0.170 4.350 4.340 0.300 0.000 0.239 442 R C 1.982 178.224 176.300 -0.098 0.000 1.133 442 R CA 2.070 58.054 56.100 -0.193 0.000 0.935 442 R CB -0.541 29.704 30.300 -0.091 0.000 0.853 442 R HN 0.640 nan 8.270 nan 0.000 0.433 443 E N -0.294 119.864 120.200 -0.070 0.000 2.006 443 E HA -0.156 4.373 4.350 0.300 0.000 0.192 443 E C 2.037 178.611 176.600 -0.043 0.000 0.993 443 E CA 1.468 57.843 56.400 -0.043 0.000 0.808 443 E CB -0.260 29.422 29.700 -0.030 0.000 0.764 443 E HN 0.262 nan 8.360 nan 0.000 0.449 444 L N 1.021 122.214 121.223 -0.049 0.000 2.270 444 L HA -0.249 4.271 4.340 0.300 0.000 0.217 444 L C 2.356 179.204 176.870 -0.038 0.000 1.107 444 L CA 0.798 55.614 54.840 -0.039 0.000 0.772 444 L CB -0.462 41.573 42.059 -0.040 0.000 0.902 444 L HN 0.222 nan 8.230 nan 0.000 0.439 445 L N -0.481 120.712 121.223 -0.050 0.000 2.102 445 L HA -0.137 4.383 4.340 0.300 0.000 0.202 445 L C 2.708 179.561 176.870 -0.029 0.000 1.076 445 L CA 1.199 56.013 54.840 -0.042 0.000 0.761 445 L CB -0.705 41.318 42.059 -0.060 0.000 0.921 445 L HN 0.314 nan 8.230 nan 0.000 0.444 446 Q N 0.456 120.238 119.800 -0.029 0.000 2.307 446 Q HA -0.010 4.510 4.340 0.300 0.000 0.216 446 Q C 1.055 177.047 176.000 -0.014 0.000 0.931 446 Q CA 0.593 56.386 55.803 -0.017 0.000 0.953 446 Q CB -0.573 28.157 28.738 -0.013 0.000 1.006 446 Q HN 0.587 nan 8.270 nan 0.000 0.472 447 E N -1.926 118.264 120.200 -0.016 0.000 2.712 447 E HA 0.057 4.587 4.350 0.300 0.000 0.221 447 E C 0.239 176.832 176.600 -0.011 0.000 0.943 447 E CA 0.227 56.620 56.400 -0.012 0.000 1.259 447 E CB 0.804 30.496 29.700 -0.015 0.000 1.167 447 E HN 0.271 nan 8.360 nan 0.000 0.569 448 K N -1.475 118.918 120.400 -0.012 0.000 3.548 448 K HA -0.357 4.143 4.320 0.300 0.000 0.303 448 K C 1.481 178.075 176.600 -0.010 0.000 1.234 448 K CA 1.054 57.335 56.287 -0.010 0.000 1.024 448 K CB -2.296 30.200 32.500 -0.007 0.000 1.306 448 K HN 0.480 nan 8.250 nan 0.000 0.423 449 A N 0.131 122.944 122.820 -0.011 0.000 2.023 449 A HA 0.107 4.607 4.320 0.300 0.000 0.223 449 A C 1.767 179.345 177.584 -0.010 0.000 1.180 449 A CA 2.422 54.453 52.037 -0.010 0.000 0.659 449 A CB -1.030 17.963 19.000 -0.012 0.000 0.817 449 A HN 1.532 nan 8.150 nan 0.000 0.466 450 L N -1.798 119.418 121.223 -0.012 0.000 2.464 450 L HA 0.689 5.209 4.340 0.300 0.000 0.264 450 L C 1.238 178.104 176.870 -0.007 0.000 1.199 450 L CA -0.108 54.726 54.840 -0.010 0.000 0.818 450 L CB -1.291 40.761 42.059 -0.013 0.000 1.102 450 L HN 1.052 nan 8.230 nan 0.000 0.473 451 A N 1.622 124.438 122.820 -0.006 0.000 2.227 451 A HA 0.554 5.054 4.320 0.300 0.000 0.279 451 A C 1.698 179.280 177.584 -0.004 0.000 1.367 451 A CA 0.738 52.773 52.037 -0.005 0.000 0.824 451 A CB -0.997 18.001 19.000 -0.004 0.000 1.214 451 A HN 2.132 nan 8.150 nan 0.000 0.514 452 G N -1.295 107.503 108.800 -0.002 0.000 2.629 452 G HA2 -0.033 4.107 3.960 0.300 0.000 0.213 452 G HA3 -0.033 4.107 3.960 0.300 0.000 0.213 452 G C 1.278 176.178 174.900 -0.000 0.000 1.425 452 G CA 0.547 45.646 45.100 -0.001 0.000 0.929 452 G HN 0.652 nan 8.290 nan 0.000 0.527 453 R N 0.778 121.278 120.500 0.000 0.000 2.355 453 R HA 0.018 4.538 4.340 0.300 0.000 0.219 453 R C 2.580 178.880 176.300 0.001 0.000 1.107 453 R CA 0.633 56.734 56.100 0.002 0.000 1.021 453 R CB -0.204 30.097 30.300 0.001 0.000 0.852 453 R HN 0.360 nan 8.270 nan 0.000 0.475 454 A N 1.064 123.883 122.820 -0.002 0.000 1.823 454 A HA -0.004 4.496 4.320 0.300 0.000 0.214 454 A C 2.264 179.846 177.584 -0.003 0.000 1.225 454 A CA 1.139 53.173 52.037 -0.005 0.000 0.604 454 A CB -0.964 18.032 19.000 -0.007 0.000 0.878 454 A HN 0.326 nan 8.150 nan 0.000 0.450 455 A N -0.823 121.995 122.820 -0.004 0.000 2.194 455 A HA -0.094 4.406 4.320 0.300 0.000 0.220 455 A C 2.295 179.880 177.584 0.002 0.000 1.162 455 A CA 2.209 54.243 52.037 -0.005 0.000 0.674 455 A CB -0.671 18.324 19.000 -0.008 0.000 0.789 455 A HN 0.591 nan 8.150 nan 0.000 0.470 456 S N -1.368 114.336 115.700 0.006 0.000 2.470 456 S HA 0.265 4.915 4.470 0.300 0.000 0.222 456 S C 2.018 176.633 174.600 0.025 0.000 1.024 456 S CA 0.994 59.202 58.200 0.014 0.000 0.931 456 S CB -0.264 62.943 63.200 0.011 0.000 0.791 456 S HN 0.738 nan 8.310 nan 0.000 0.513 457 A N 1.518 124.351 122.820 0.021 0.000 1.898 457 A HA 0.233 4.733 4.320 0.300 0.000 0.214 457 A C 2.088 179.706 177.584 0.056 0.000 1.183 457 A CA 0.802 52.858 52.037 0.032 0.000 0.622 457 A CB -0.639 18.366 19.000 0.009 0.000 0.824 457 A HN 0.534 nan 8.150 nan 0.000 0.444 458 L N -0.745 120.499 121.223 0.036 0.000 2.056 458 L HA -0.211 4.309 4.340 0.300 0.000 0.207 458 L C 2.869 179.796 176.870 0.094 0.000 1.078 458 L CA 1.698 56.572 54.840 0.057 0.000 0.749 458 L CB -0.446 41.623 42.059 0.017 0.000 0.901 458 L HN 0.519 nan 8.230 nan 0.000 0.433 459 Q N 0.531 120.360 119.800 0.048 0.000 2.061 459 Q HA -0.197 4.323 4.340 0.300 0.000 0.204 459 Q C 2.354 178.395 176.000 0.068 0.000 0.984 459 Q CA 2.118 57.941 55.803 0.034 0.000 0.846 459 Q CB -0.191 28.558 28.738 0.017 0.000 0.902 459 Q HN 0.124 nan 8.270 nan 0.000 0.421 460 R N -0.415 120.135 120.500 0.083 0.000 2.097 460 R HA -0.164 4.356 4.340 0.300 0.000 0.236 460 R C 2.207 178.588 176.300 0.134 0.000 1.135 460 R CA 1.443 57.598 56.100 0.092 0.000 0.934 460 R CB -1.974 28.379 30.300 0.090 0.000 0.846 460 R HN 0.620 nan 8.270 nan 0.000 0.431 461 F N 1.104 121.073 119.950 0.032 0.000 2.015 461 F HA -0.255 4.452 4.527 0.300 0.000 0.297 461 F C 2.495 178.366 175.800 0.117 0.000 1.141 461 F CA 2.222 60.260 58.000 0.063 0.000 1.192 461 F CB -0.564 38.454 39.000 0.029 0.000 0.957 461 F HN 0.026 nan 8.300 nan 0.000 0.491 462 M N 0.169 119.862 119.600 0.156 0.000 2.260 462 M HA -0.231 4.429 4.480 0.300 0.000 0.261 462 M C 2.242 178.607 176.300 0.109 0.000 1.066 462 M CA 2.101 57.439 55.300 0.063 0.000 1.082 462 M CB -0.912 31.570 32.600 -0.196 0.000 1.388 462 M HN 0.509 nan 8.290 nan 0.000 0.419 463 E N 0.472 120.704 120.200 0.054 0.000 2.107 463 E HA -0.141 4.389 4.350 0.300 0.000 0.191 463 E C 1.741 178.355 176.600 0.023 0.000 0.982 463 E CA 1.261 57.692 56.400 0.052 0.000 0.809 463 E CB -0.814 28.909 29.700 0.039 0.000 0.756 463 E HN 0.493 nan 8.360 nan 0.000 0.459 464 L N 0.796 122.001 121.223 -0.030 0.000 1.988 464 L HA 0.002 4.522 4.340 0.300 0.000 0.207 464 L C 2.949 179.770 176.870 -0.081 0.000 1.071 464 L CA 2.739 57.538 54.840 -0.068 0.000 0.744 464 L CB -0.793 41.205 42.059 -0.101 0.000 0.893 464 L HN 0.444 nan 8.230 nan 0.000 0.433 465 I N -0.840 119.637 120.570 -0.155 0.000 2.118 465 I HA -0.344 4.006 4.170 0.300 0.000 0.241 465 I C 2.364 178.482 176.117 0.001 0.000 1.070 465 I CA 2.683 63.936 61.300 -0.077 0.000 1.327 465 I CB -1.661 36.300 38.000 -0.065 0.000 1.034 465 I HN 0.474 nan 8.210 nan 0.000 0.405 466 D N 0.339 120.784 120.400 0.075 0.000 2.218 466 D HA -0.028 4.792 4.640 0.300 0.000 0.204 466 D C 2.442 178.759 176.300 0.028 0.000 0.976 466 D CA 1.585 55.624 54.000 0.066 0.000 0.853 466 D CB -0.177 40.705 40.800 0.137 0.000 0.939 466 D HN 0.671 nan 8.370 nan 0.000 0.481 467 A N 0.691 123.521 122.820 0.017 0.000 1.898 467 A HA -0.093 4.407 4.320 0.300 0.000 0.216 467 A C 2.346 179.923 177.584 -0.011 0.000 1.181 467 A CA 0.759 52.797 52.037 0.002 0.000 0.620 467 A CB -0.616 18.381 19.000 -0.005 0.000 0.819 467 A HN 0.198 nan 8.150 nan 0.000 0.442 468 L N -0.947 120.264 121.223 -0.020 0.000 2.313 468 L HA -0.051 4.469 4.340 0.300 0.000 0.214 468 L C 2.735 179.595 176.870 -0.017 0.000 1.119 468 L CA 0.680 55.504 54.840 -0.026 0.000 0.809 468 L CB -0.351 41.687 42.059 -0.035 0.000 0.933 468 L HN 0.413 nan 8.230 nan 0.000 0.449 469 A N -0.732 122.079 122.820 -0.014 0.000 2.239 469 A HA -0.112 4.388 4.320 0.300 0.000 0.209 469 A C 2.054 179.630 177.584 -0.013 0.000 1.171 469 A CA 0.932 52.959 52.037 -0.017 0.000 0.768 469 A CB -0.122 18.860 19.000 -0.029 0.000 0.790 469 A HN 0.487 nan 8.150 nan 0.000 0.478 470 Q N -1.145 118.650 119.800 -0.009 0.000 2.499 470 Q HA 0.012 4.532 4.340 0.300 0.000 0.213 470 Q C 1.623 177.617 176.000 -0.010 0.000 0.929 470 Q CA 0.652 56.452 55.803 -0.006 0.000 0.904 470 Q CB 0.003 28.741 28.738 -0.000 0.000 1.052 470 Q HN 0.710 nan 8.270 nan 0.000 0.589 471 E N 0.593 120.785 120.200 -0.014 0.000 2.209 471 E HA -0.153 4.377 4.350 0.300 0.000 0.196 471 E C 1.087 177.674 176.600 -0.022 0.000 0.993 471 E CA 1.640 58.029 56.400 -0.018 0.000 0.819 471 E CB 0.006 29.692 29.700 -0.023 0.000 0.745 471 E HN 0.358 nan 8.360 nan 0.000 0.477 472 T N -3.022 111.519 114.554 -0.022 0.000 3.228 472 T HA 0.502 5.032 4.350 0.300 0.000 0.278 472 T C 1.210 175.899 174.700 -0.019 0.000 1.014 472 T CA 0.076 62.161 62.100 -0.025 0.000 0.904 472 T CB 0.896 69.746 68.868 -0.030 0.000 1.110 472 T HN 0.097 nan 8.240 nan 0.000 0.541 473 A N 1.194 124.005 122.820 -0.014 0.000 2.239 473 A HA 0.130 4.630 4.320 0.300 0.000 0.209 473 A C 1.648 179.227 177.584 -0.008 0.000 1.171 473 A CA 0.694 52.725 52.037 -0.010 0.000 0.768 473 A CB -0.218 18.777 19.000 -0.009 0.000 0.790 473 A HN 0.538 nan 8.150 nan 0.000 0.478 474 D N -1.332 119.062 120.400 -0.010 0.000 2.526 474 D HA 0.138 4.958 4.640 0.300 0.000 0.293 474 D C 0.563 176.858 176.300 -0.009 0.000 1.081 474 D CA 0.087 54.083 54.000 -0.007 0.000 0.924 474 D CB -0.255 40.541 40.800 -0.007 0.000 1.498 474 D HN 0.374 nan 8.370 nan 0.000 0.497 475 M N 3.272 122.859 119.600 -0.020 0.000 2.245 475 M HA 0.092 4.752 4.480 0.300 0.000 0.335 475 M C -2.179 174.104 176.300 -0.028 0.000 1.155 475 M CA -0.550 54.728 55.300 -0.035 0.000 1.055 475 M CB -0.093 32.472 32.600 -0.060 0.000 1.670 475 M HN -0.179 nan 8.290 nan 0.000 0.447 476 P HA 0.018 nan 4.420 nan 0.000 0.275 476 P C 0.429 177.724 177.300 -0.009 0.000 1.227 476 P CA -0.414 62.697 63.100 0.019 0.000 0.781 476 P CB 0.839 32.594 31.700 0.091 0.000 0.906 477 L N 3.924 125.165 121.223 0.030 0.000 2.198 477 L HA -0.260 4.260 4.340 0.300 0.000 0.218 477 L C 2.360 179.212 176.870 -0.030 0.000 1.084 477 L CA 2.578 57.416 54.840 -0.003 0.000 0.779 477 L CB -1.730 40.343 42.059 0.024 0.000 0.890 477 L HN 0.653 nan 8.230 nan 0.000 0.439 478 H N -2.555 116.491 119.070 -0.039 0.000 2.428 478 H HA -0.019 4.716 4.556 0.300 0.000 0.296 478 H C 1.927 177.237 175.328 -0.029 0.000 1.062 478 H CA 1.676 57.697 56.048 -0.044 0.000 1.350 478 H CB -0.481 29.274 29.762 -0.012 0.000 1.403 478 H HN 0.194 nan 8.280 nan 0.000 0.533 479 V N 0.002 119.527 119.914 -0.648 0.000 3.125 479 V HA -0.022 4.278 4.120 0.300 0.000 0.249 479 V C 2.330 178.293 176.094 -0.219 0.000 1.113 479 V CA 1.443 63.432 62.300 -0.518 0.000 1.106 479 V CB -0.040 31.478 31.823 -0.509 0.000 0.768 479 V HN 0.637 nan 8.190 nan 0.000 0.468 480 Q N 0.079 119.786 119.800 -0.155 0.000 2.079 480 Q HA -0.178 4.341 4.340 0.300 0.000 0.200 480 Q C 1.930 177.893 176.000 -0.062 0.000 0.974 480 Q CA 2.414 58.166 55.803 -0.085 0.000 0.840 480 Q CB -0.444 28.261 28.738 -0.054 0.000 0.898 480 Q HN 0.703 nan 8.270 nan 0.000 0.430 481 T N -0.712 113.804 114.554 -0.063 0.000 3.051 481 T HA -0.146 4.384 4.350 0.300 0.000 0.269 481 T C 1.246 175.935 174.700 -0.019 0.000 1.127 481 T CA 1.385 63.468 62.100 -0.028 0.000 1.107 481 T CB -0.305 68.537 68.868 -0.044 0.000 0.898 481 T HN 0.413 nan 8.240 nan 0.000 0.517 482 D N -0.274 120.096 120.400 -0.049 0.000 2.202 482 D HA -0.039 4.781 4.640 0.300 0.000 0.214 482 D C 2.618 178.895 176.300 -0.039 0.000 0.967 482 D CA 0.507 54.485 54.000 -0.036 0.000 0.871 482 D CB 0.299 41.065 40.800 -0.058 0.000 1.020 482 D HN 0.168 nan 8.370 nan 0.000 0.474 483 R N -0.170 120.296 120.500 -0.056 0.000 2.088 483 R HA -0.073 4.447 4.340 0.300 0.000 0.232 483 R C 2.625 178.887 176.300 -0.064 0.000 1.136 483 R CA 1.247 57.314 56.100 -0.056 0.000 0.926 483 R CB -1.561 28.704 30.300 -0.058 0.000 0.837 483 R HN 0.222 nan 8.270 nan 0.000 0.429 484 V N 1.434 121.310 119.914 -0.064 0.000 2.277 484 V HA -0.319 3.981 4.120 0.300 0.000 0.253 484 V C 2.352 178.366 176.094 -0.134 0.000 1.067 484 V CA 2.408 64.651 62.300 -0.095 0.000 1.047 484 V CB -0.730 31.072 31.823 -0.036 0.000 0.649 484 V HN 0.384 nan 8.190 nan 0.000 0.447 485 I N 0.557 121.091 120.570 -0.059 0.000 2.264 485 I HA -0.294 4.056 4.170 0.300 0.000 0.248 485 I C 2.727 178.815 176.117 -0.049 0.000 1.111 485 I CA 2.285 63.567 61.300 -0.030 0.000 1.382 485 I CB -0.474 37.541 38.000 0.025 0.000 1.060 485 I HN 0.514 nan 8.210 nan 0.000 0.418 486 K N -1.234 119.135 120.400 -0.051 0.000 2.098 486 K HA -0.011 4.489 4.320 0.300 0.000 0.203 486 K C 1.265 177.820 176.600 -0.075 0.000 1.051 486 K CA 1.005 57.266 56.287 -0.043 0.000 0.957 486 K CB -0.950 31.533 32.500 -0.028 0.000 0.738 486 K HN 0.268 nan 8.250 nan 0.000 0.447 487 D N 1.423 121.761 120.400 -0.103 0.000 2.371 487 D HA 0.042 4.862 4.640 0.300 0.000 0.234 487 D C 1.226 177.414 176.300 -0.188 0.000 1.049 487 D CA 1.247 55.177 54.000 -0.118 0.000 0.907 487 D CB 0.310 41.049 40.800 -0.102 0.000 0.891 487 D HN 0.657 nan 8.370 nan 0.000 0.531 488 S N -1.919 113.619 115.700 -0.270 0.000 2.526 488 S HA 0.327 4.977 4.470 0.300 0.000 0.220 488 S C 1.721 176.212 174.600 -0.182 0.000 1.017 488 S CA 0.463 58.413 58.200 -0.417 0.000 0.930 488 S CB 0.920 63.473 63.200 -1.078 0.000 0.856 488 S HN 0.186 nan 8.310 nan 0.000 0.497 489 G N 1.640 110.373 108.800 -0.112 0.000 2.176 489 G HA2 -0.265 3.875 3.960 0.300 0.000 0.253 489 G HA3 -0.265 3.875 3.960 0.300 0.000 0.253 489 G C 0.676 175.559 174.900 -0.028 0.000 0.979 489 G CA 0.403 45.474 45.100 -0.049 0.000 0.641 489 G HN 0.481 nan 8.290 nan 0.000 0.530 490 L N -0.597 120.618 121.223 -0.013 0.000 2.081 490 L HA -0.122 4.398 4.340 0.300 0.000 0.212 490 L C 3.168 180.134 176.870 0.160 0.000 1.080 490 L CA 2.225 57.110 54.840 0.075 0.000 0.754 490 L CB -0.418 41.754 42.059 0.187 0.000 0.893 490 L HN 0.343 nan 8.230 nan 0.000 0.433 491 R N -0.659 119.910 120.500 0.115 0.000 2.075 491 R HA -0.130 4.390 4.340 0.300 0.000 0.230 491 R C 2.300 178.656 176.300 0.093 0.000 1.140 491 R CA 2.063 58.238 56.100 0.124 0.000 0.928 491 R CB -0.824 29.515 30.300 0.064 0.000 0.834 491 R HN 0.321 nan 8.270 nan 0.000 0.429 492 T N 2.101 116.678 114.554 0.039 0.000 2.653 492 T HA -0.275 4.255 4.350 0.300 0.000 0.268 492 T C 1.853 176.556 174.700 0.004 0.000 1.035 492 T CA 2.245 64.356 62.100 0.018 0.000 1.154 492 T CB -0.317 68.550 68.868 -0.001 0.000 0.862 492 T HN 0.411 nan 8.240 nan 0.000 0.441 493 M N -0.267 119.309 119.600 -0.039 0.000 2.175 493 M HA -0.001 4.659 4.480 0.300 0.000 0.264 493 M C 1.981 178.192 176.300 -0.149 0.000 1.063 493 M CA 1.620 56.847 55.300 -0.121 0.000 1.119 493 M CB -0.702 31.773 32.600 -0.209 0.000 1.377 493 M HN 0.212 nan 8.290 nan 0.000 0.415 494 Y N 1.064 121.375 120.300 0.019 0.000 2.176 494 Y HA -0.065 4.665 4.550 0.300 0.000 0.291 494 Y C 2.394 178.301 175.900 0.013 0.000 1.122 494 Y CA 1.614 59.724 58.100 0.016 0.000 1.128 494 Y CB -0.278 38.193 38.460 0.018 0.000 1.005 494 Y HN 0.318 nan 8.280 nan 0.000 0.509 495 E N 0.152 120.457 120.200 0.176 0.000 2.072 495 E HA -0.349 4.181 4.350 0.300 0.000 0.218 495 E C 1.599 178.242 176.600 0.072 0.000 1.051 495 E CA 1.493 57.953 56.400 0.101 0.000 0.880 495 E CB -0.580 29.161 29.700 0.068 0.000 0.783 495 E HN 0.485 nan 8.360 nan 0.000 0.473 496 Q N 0.702 120.531 119.800 0.048 0.000 2.962 496 Q HA 0.289 4.809 4.340 0.300 0.000 0.251 496 Q C 0.673 176.690 176.000 0.028 0.000 1.380 496 Q CA 0.983 56.804 55.803 0.029 0.000 0.926 496 Q CB -0.980 27.767 28.738 0.014 0.000 1.704 496 Q HN 0.525 nan 8.270 nan 0.000 0.563 497 E N -1.229 118.998 120.200 0.045 0.000 2.603 497 E HA 0.256 4.785 4.350 0.300 0.000 0.218 497 E C 1.233 177.858 176.600 0.041 0.000 0.878 497 E CA 0.826 57.254 56.400 0.046 0.000 1.348 497 E CB -0.123 29.628 29.700 0.086 0.000 1.318 497 E HN 0.634 nan 8.360 nan 0.000 0.673 498 K N -1.883 118.541 120.400 0.039 0.000 7.465 498 K HA -0.175 4.325 4.320 0.300 0.000 0.355 498 K C 1.778 178.396 176.600 0.031 0.000 0.642 498 K CA 2.033 58.338 56.287 0.030 0.000 1.228 498 K CB -2.352 30.162 32.500 0.022 0.000 0.788 498 K HN 2.137 nan 8.250 nan 0.000 0.961 504 T N -0.327 114.222 114.554 -0.007 0.000 2.881 504 T HA -0.138 4.392 4.350 0.300 0.000 0.270 504 T C 1.857 176.534 174.700 -0.038 0.000 1.068 504 T CA 1.718 63.810 62.100 -0.013 0.000 1.131 504 T CB -0.185 68.678 68.868 -0.008 0.000 0.871 504 T HN 0.584 nan 8.240 nan 0.000 0.479 505 R N 0.394 120.855 120.500 -0.065 0.000 2.081 505 R HA -0.012 4.508 4.340 0.300 0.000 0.235 505 R C 2.428 178.603 176.300 -0.208 0.000 1.131 505 R CA 1.643 57.651 56.100 -0.154 0.000 0.960 505 R CB -0.467 29.731 30.300 -0.170 0.000 0.856 505 R HN 0.565 nan 8.270 nan 0.000 0.436 506 I N 0.735 121.232 120.570 -0.122 0.000 2.617 506 I HA -0.078 4.272 4.170 0.300 0.000 0.256 506 I C 1.301 177.399 176.117 -0.032 0.000 1.167 506 I CA 1.342 62.593 61.300 -0.082 0.000 1.469 506 I CB -0.020 37.983 38.000 0.005 0.000 1.098 506 I HN 0.173 nan 8.210 nan 0.000 0.436 507 E N 0.866 121.056 120.200 -0.016 0.000 2.077 507 E HA -0.236 4.294 4.350 0.300 0.000 0.193 507 E C 1.847 178.471 176.600 0.039 0.000 0.989 507 E CA 1.758 58.165 56.400 0.012 0.000 0.800 507 E CB -0.436 29.271 29.700 0.011 0.000 0.746 507 E HN 0.694 nan 8.360 nan 0.000 0.452 508 N N 0.645 119.369 118.700 0.039 0.000 2.166 508 N HA -0.142 4.778 4.740 0.300 0.000 0.186 508 N C 1.959 177.561 175.510 0.152 0.000 1.019 508 N CA 0.587 53.723 53.050 0.143 0.000 0.856 508 N CB -0.068 38.443 38.487 0.039 0.000 0.993 508 N HN 0.076 nan 8.380 nan 0.000 0.426 509 L N 1.269 122.508 121.223 0.028 0.000 2.046 509 L HA -0.169 4.351 4.340 0.300 0.000 0.208 509 L C 2.143 179.068 176.870 0.092 0.000 1.077 509 L CA 1.341 56.208 54.840 0.045 0.000 0.747 509 L CB -0.368 41.691 42.059 -0.001 0.000 0.896 509 L HN 0.231 nan 8.230 nan 0.000 0.432 510 E N -0.397 119.846 120.200 0.070 0.000 2.150 510 E HA -0.243 4.287 4.350 0.300 0.000 0.193 510 E C 2.068 178.718 176.600 0.084 0.000 0.985 510 E CA 0.847 57.288 56.400 0.068 0.000 0.814 510 E CB 0.001 29.730 29.700 0.047 0.000 0.752 510 E HN 0.429 nan 8.360 nan 0.000 0.466 511 E N 0.699 120.960 120.200 0.102 0.000 2.152 511 E HA -0.166 4.364 4.350 0.300 0.000 0.192 511 E C 2.137 178.810 176.600 0.121 0.000 0.983 511 E CA 0.326 56.773 56.400 0.077 0.000 0.818 511 E CB 0.080 29.801 29.700 0.034 0.000 0.758 511 E HN 0.115 nan 8.360 nan 0.000 0.467 512 L N 0.646 122.024 121.223 0.257 0.000 2.079 512 L HA -0.166 4.354 4.340 0.300 0.000 0.210 512 L C 2.121 179.105 176.870 0.189 0.000 1.081 512 L CA 1.351 56.399 54.840 0.346 0.000 0.752 512 L CB -0.452 41.838 42.059 0.385 0.000 0.896 512 L HN -0.044 nan 8.230 nan 0.000 0.433 513 V N -0.418 119.572 119.914 0.127 0.000 2.295 513 V HA -0.299 4.001 4.120 0.300 0.000 0.246 513 V C 2.468 178.616 176.094 0.090 0.000 1.049 513 V CA 2.291 64.642 62.300 0.084 0.000 1.024 513 V CB -1.534 30.337 31.823 0.079 0.000 0.648 513 V HN 0.618 nan 8.190 nan 0.000 0.447 514 T N 0.466 115.071 114.554 0.085 0.000 2.777 514 T HA -0.091 4.439 4.350 0.300 0.000 0.266 514 T C 2.102 176.848 174.700 0.077 0.000 1.040 514 T CA 1.390 63.531 62.100 0.068 0.000 1.141 514 T CB -0.508 68.387 68.868 0.045 0.000 0.868 514 T HN 0.541 nan 8.240 nan 0.000 0.444 515 A N 2.475 125.357 122.820 0.103 0.000 1.865 515 A HA -0.164 4.336 4.320 0.300 0.000 0.217 515 A C 2.714 180.410 177.584 0.188 0.000 1.191 515 A CA 2.539 54.691 52.037 0.192 0.000 0.623 515 A CB -1.565 17.615 19.000 0.300 0.000 0.826 515 A HN 0.643 nan 8.150 nan 0.000 0.444 516 T N -1.979 112.527 114.554 -0.080 0.000 2.881 516 T HA -0.194 4.336 4.350 0.300 0.000 0.270 516 T C 1.936 176.630 174.700 -0.011 0.000 1.068 516 T CA 1.445 63.277 62.100 -0.446 0.000 1.131 516 T CB -0.376 68.141 68.868 -0.584 0.000 0.871 516 T HN 0.557 nan 8.240 nan 0.000 0.479 517 R N 2.057 122.595 120.500 0.063 0.000 2.070 517 R HA -0.076 4.444 4.340 0.300 0.000 0.233 517 R C 1.829 178.129 176.300 0.001 0.000 1.137 517 R CA 1.597 57.716 56.100 0.032 0.000 0.945 517 R CB -0.232 30.061 30.300 -0.010 0.000 0.845 517 R HN 0.715 nan 8.270 nan 0.000 0.430 518 Q N 0.307 120.145 119.800 0.063 0.000 2.936 518 Q HA 0.139 4.659 4.340 0.300 0.000 0.383 518 Q C -1.120 174.993 176.000 0.189 0.000 1.167 518 Q CA -0.493 55.355 55.803 0.075 0.000 1.038 518 Q CB 0.137 28.906 28.738 0.052 0.000 1.409 518 Q HN 0.192 nan 8.270 nan 0.000 0.448 519 F N 0.723 120.713 119.950 0.066 0.000 2.492 519 F HA 0.702 5.409 4.527 0.300 0.000 0.327 519 F C 0.439 176.292 175.800 0.088 0.000 1.079 519 F CA -0.588 57.490 58.000 0.130 0.000 0.967 519 F CB 0.987 40.126 39.000 0.232 0.000 1.169 519 F HN 0.425 nan 8.300 nan 0.000 0.472 529 M N -1.056 118.576 119.600 0.055 0.000 2.225 529 M HA 0.576 5.236 4.480 0.300 0.000 0.233 529 M C 1.048 177.445 176.300 0.162 0.000 1.280 529 M CA 2.808 58.183 55.300 0.125 0.000 1.063 529 M CB -2.473 30.206 32.600 0.133 0.000 1.015 529 M HN 2.300 nan 8.290 nan 0.000 0.465 530 P HA -0.179 nan 4.420 nan 0.000 0.233 530 P C 1.751 179.114 177.300 0.104 0.000 1.100 530 P CA 5.119 68.320 63.100 0.168 0.000 1.009 530 P CB -1.698 30.061 31.700 0.099 0.000 0.759 531 L N -1.126 120.133 121.223 0.060 0.000 2.293 531 L HA -0.317 4.203 4.340 0.300 0.000 0.250 531 L C 2.802 179.693 176.870 0.034 0.000 1.091 531 L CA 4.707 59.563 54.840 0.026 0.000 0.838 531 L CB -2.335 39.715 42.059 -0.015 0.000 0.949 531 L HN 0.526 nan 8.230 nan 0.000 0.427 532 Q N -1.493 118.318 119.800 0.019 0.000 2.061 532 Q HA 0.192 4.712 4.340 0.300 0.000 0.195 532 Q C 2.259 178.262 176.000 0.005 0.000 0.967 532 Q CA 3.040 58.860 55.803 0.028 0.000 0.829 532 Q CB -0.820 27.966 28.738 0.079 0.000 0.900 532 Q HN 1.428 nan 8.270 nan 0.000 0.450 533 A N 0.379 123.226 122.820 0.044 0.000 1.933 533 A HA -0.325 4.175 4.320 0.300 0.000 0.252 533 A C 1.972 179.488 177.584 -0.113 0.000 2.192 533 A CA 2.357 54.469 52.037 0.125 0.000 0.766 533 A CB -1.543 17.674 19.000 0.362 0.000 0.834 533 A HN 0.631 nan 8.150 nan 0.000 0.553 534 F N -0.136 119.503 119.950 -0.518 0.000 2.049 534 F HA 0.140 4.847 4.527 0.301 0.000 0.288 534 F C 2.777 178.277 175.800 -0.500 0.000 1.141 534 F CA 1.973 59.430 58.000 -0.905 0.000 1.165 534 F CB -0.887 37.684 39.000 -0.715 0.000 1.012 534 F HN 0.362 nan 8.300 nan 0.000 0.475 535 L N -0.231 120.574 121.223 -0.697 0.000 2.211 535 L HA -0.212 4.308 4.340 0.300 0.000 0.216 535 L C 2.370 178.864 176.870 -0.628 0.000 1.092 535 L CA 2.642 56.993 54.840 -0.815 0.000 0.767 535 L CB -2.130 39.703 42.059 -0.377 0.000 0.894 535 L HN 0.535 nan 8.230 nan 0.000 0.437 536 S N -1.569 113.920 115.700 -0.351 0.000 2.269 536 S HA 0.124 4.774 4.470 0.300 0.000 0.167 536 S C 1.335 175.822 174.600 -0.187 0.000 1.319 536 S CA 0.853 58.964 58.200 -0.149 0.000 2.086 536 S CB -0.756 62.460 63.200 0.027 0.000 0.582 536 S HN 1.815 nan 8.310 nan 0.000 0.360 537 H N 0.139 119.160 119.070 -0.081 0.000 3.211 537 H HA 0.429 5.165 4.556 0.300 0.000 0.246 537 H C 0.215 175.501 175.328 -0.069 0.000 0.802 537 H CA 0.667 56.705 56.048 -0.016 0.000 1.421 537 H CB -1.447 28.382 29.762 0.112 0.000 1.432 537 H HN 1.097 nan 8.280 nan 0.000 0.503 549 T N -1.006 113.579 114.554 0.050 0.000 3.001 549 T HA 0.102 4.632 4.350 0.300 0.000 0.251 549 T C 1.950 176.593 174.700 -0.094 0.000 1.040 549 T CA 1.210 63.284 62.100 -0.042 0.000 0.985 549 T CB -0.533 68.368 68.868 0.055 0.000 1.011 549 T HN 0.658 nan 8.240 nan 0.000 0.509 550 W N 1.697 123.012 121.300 0.024 0.000 2.331 550 W HA -0.069 4.773 4.660 0.303 0.000 0.291 550 W C -0.164 176.368 176.519 0.022 0.000 1.214 550 W CA -0.022 57.337 57.345 0.024 0.000 1.228 550 W CB -1.182 28.288 29.460 0.017 0.000 1.135 550 W HN 0.302 nan 8.180 nan 0.000 0.537 551 Q N 2.256 121.413 119.800 -1.072 0.000 2.286 551 Q HA 0.086 4.606 4.340 0.300 0.000 0.267 551 Q C -0.677 175.120 176.000 -0.339 0.000 1.028 551 Q CA 0.256 55.536 55.803 -0.872 0.000 0.901 551 Q CB 0.498 28.559 28.738 -1.128 0.000 1.183 551 Q HN -0.053 nan 8.270 nan 0.000 0.392 552 D N 1.414 121.724 120.400 -0.149 0.000 2.450 552 D HA 0.383 5.203 4.640 0.300 0.000 0.247 552 D C -1.096 175.172 176.300 -0.054 0.000 1.162 552 D CA 0.377 54.352 54.000 -0.041 0.000 0.879 552 D CB 0.442 41.254 40.800 0.020 0.000 1.163 552 D HN 0.599 nan 8.370 nan 0.000 0.472 553 A N 2.785 125.600 122.820 -0.008 0.000 2.604 553 A HA 0.499 4.999 4.320 0.300 0.000 0.295 553 A C -1.018 176.612 177.584 0.078 0.000 1.067 553 A CA -0.828 51.212 52.037 0.006 0.000 0.683 553 A CB 1.119 20.075 19.000 -0.073 0.000 1.281 553 A HN 0.346 nan 8.150 nan 0.000 0.407 554 V N 2.417 122.393 119.914 0.103 0.000 2.740 554 V HA 0.159 4.459 4.120 0.300 0.000 0.303 554 V C 0.060 176.231 176.094 0.128 0.000 1.054 554 V CA -0.005 62.356 62.300 0.101 0.000 1.106 554 V CB 1.083 32.953 31.823 0.078 0.000 0.957 554 V HN 0.787 nan 8.190 nan 0.000 0.486 555 Q N 4.089 123.929 119.800 0.068 0.000 2.303 555 Q HA 0.493 5.013 4.340 0.300 0.000 0.257 555 Q C -1.268 174.749 176.000 0.028 0.000 0.941 555 Q CA -0.604 55.261 55.803 0.104 0.000 0.931 555 Q CB 1.855 30.564 28.738 -0.048 0.000 1.215 555 Q HN 0.446 nan 8.270 nan 0.000 0.437 556 L N 4.662 125.989 121.223 0.175 0.000 2.333 556 L HA 0.601 5.121 4.340 0.300 0.000 0.280 556 L C -0.118 176.842 176.870 0.149 0.000 1.004 556 L CA -0.055 54.871 54.840 0.145 0.000 0.820 556 L CB 1.451 43.650 42.059 0.233 0.000 1.247 556 L HN 0.647 nan 8.230 nan 0.000 0.416 557 M N 0.289 119.758 119.600 -0.219 0.000 2.732 557 M HA 0.536 5.196 4.480 0.300 0.000 0.272 557 M C -0.602 175.203 176.300 -0.825 0.000 1.203 557 M CA -0.801 54.326 55.300 -0.288 0.000 0.841 557 M CB 1.928 34.477 32.600 -0.085 0.000 1.685 557 M HN 0.418 nan 8.290 nan 0.000 0.492 558 T N -0.487 113.798 114.554 -0.449 0.000 2.898 558 T HA 0.368 4.898 4.350 0.300 0.000 0.301 558 T C 1.023 175.572 174.700 -0.253 0.000 1.049 558 T CA -0.588 61.299 62.100 -0.356 0.000 1.095 558 T CB 0.752 69.613 68.868 -0.011 0.000 0.976 558 T HN 0.685 nan 8.240 nan 0.000 0.539 559 L N 0.754 121.832 121.223 -0.241 0.000 2.127 559 L HA -0.100 4.420 4.340 0.300 0.000 0.211 559 L C 2.679 179.460 176.870 -0.149 0.000 1.089 559 L CA 1.523 56.222 54.840 -0.234 0.000 0.757 559 L CB -0.736 41.109 42.059 -0.357 0.000 0.899 559 L HN 0.809 nan 8.230 nan 0.000 0.434 560 H N -1.416 117.594 119.070 -0.100 0.000 2.326 560 H HA -0.110 4.623 4.556 0.295 0.000 0.301 560 H C 2.531 177.892 175.328 0.056 0.000 1.081 560 H CA 1.730 57.773 56.048 -0.009 0.000 1.334 560 H CB -0.001 29.798 29.762 0.062 0.000 1.385 560 H HN 0.155 nan 8.280 nan 0.000 0.504 561 S N -0.201 115.587 115.700 0.147 0.000 2.423 561 S HA -0.103 4.547 4.470 0.300 0.000 0.231 561 S C 2.301 176.912 174.600 0.019 0.000 1.014 561 S CA 0.643 58.891 58.200 0.079 0.000 0.965 561 S CB -0.232 62.990 63.200 0.038 0.000 0.785 561 S HN 0.567 nan 8.310 nan 0.000 0.495 562 A N 1.262 124.076 122.820 -0.010 0.000 2.070 562 A HA -0.011 4.489 4.320 0.300 0.000 0.220 562 A C 1.146 178.740 177.584 0.016 0.000 1.159 562 A CA 0.730 52.777 52.037 0.016 0.000 0.656 562 A CB -0.352 18.640 19.000 -0.014 0.000 0.800 562 A HN 0.426 nan 8.150 nan 0.000 0.453 563 K N -0.485 119.919 120.400 0.008 0.000 2.491 563 K HA 0.239 4.738 4.320 0.300 0.000 0.279 563 K C 1.184 177.786 176.600 0.002 0.000 1.026 563 K CA 0.898 57.190 56.287 0.007 0.000 1.070 563 K CB -0.172 32.359 32.500 0.052 0.000 0.887 563 K HN 0.664 nan 8.250 nan 0.000 0.481 564 G N 3.044 111.828 108.800 -0.028 0.000 2.258 564 G HA2 -0.248 3.892 3.960 0.300 0.000 0.233 564 G HA3 -0.248 3.892 3.960 0.300 0.000 0.233 564 G C 0.064 174.902 174.900 -0.103 0.000 1.006 564 G CA 0.055 45.127 45.100 -0.046 0.000 0.620 564 G HN 0.487 nan 8.290 nan 0.000 0.511 565 L N 1.012 122.161 121.223 -0.122 0.000 2.448 565 L HA 0.770 5.290 4.340 0.300 0.000 0.258 565 L C 0.573 177.253 176.870 -0.317 0.000 1.104 565 L CA -0.488 54.192 54.840 -0.266 0.000 0.800 565 L CB 1.250 43.163 42.059 -0.243 0.000 1.241 565 L HN 0.593 nan 8.230 nan 0.000 0.472 566 E N 0.023 119.832 120.200 -0.651 0.000 2.392 566 E HA 0.621 5.151 4.350 0.300 0.000 0.279 566 E C -1.866 174.233 176.600 -0.834 0.000 0.964 566 E CA -0.738 55.384 56.400 -0.463 0.000 0.777 566 E CB 2.072 31.614 29.700 -0.263 0.000 1.249 566 E HN 0.283 nan 8.360 nan 0.000 0.449 567 F N 0.117 120.007 119.950 -0.099 0.000 2.628 567 F HA 0.361 5.071 4.527 0.305 0.000 0.309 567 F C -2.185 173.540 175.800 -0.126 0.000 1.108 567 F CA -2.122 55.819 58.000 -0.099 0.000 0.971 567 F CB 2.106 41.038 39.000 -0.114 0.000 1.279 567 F HN 0.285 nan 8.300 nan 0.000 0.441 568 P HA -0.118 nan 4.420 nan 0.000 0.215 568 P C -0.353 176.799 177.300 -0.248 0.000 1.153 568 P CA 1.560 64.633 63.100 -0.044 0.000 0.853 568 P CB 0.271 32.014 31.700 0.073 0.000 0.788 569 Q N -0.407 119.156 119.800 -0.396 0.000 2.333 569 Q HA 0.414 4.934 4.340 0.300 0.000 0.268 569 Q C -1.105 174.643 176.000 -0.420 0.000 1.007 569 Q CA -0.510 54.952 55.803 -0.570 0.000 0.810 569 Q CB 2.529 30.736 28.738 -0.885 0.000 1.264 569 Q HN -0.124 nan 8.270 nan 0.000 0.452 570 V N 3.877 123.488 119.914 -0.503 0.000 2.588 570 V HA 0.545 4.845 4.120 0.300 0.000 0.304 570 V C -0.966 174.802 176.094 -0.543 0.000 1.042 570 V CA -0.632 61.442 62.300 -0.376 0.000 0.877 570 V CB 1.368 33.073 31.823 -0.196 0.000 0.996 570 V HN 0.554 nan 8.190 nan 0.000 0.425 571 F N 4.744 124.625 119.950 -0.115 0.000 2.477 571 F HA 0.631 5.334 4.527 0.293 0.000 0.335 571 F C 0.003 175.792 175.800 -0.018 0.000 1.130 571 F CA -0.554 57.425 58.000 -0.034 0.000 0.948 571 F CB 1.615 40.602 39.000 -0.021 0.000 1.154 571 F HN 0.215 nan 8.300 nan 0.000 0.439 572 I N 4.986 125.664 120.570 0.180 0.000 2.355 572 I HA 0.397 4.747 4.170 0.300 0.000 0.288 572 I C -0.303 175.939 176.117 0.208 0.000 0.999 572 I CA -1.021 60.364 61.300 0.141 0.000 1.163 572 I CB 1.239 39.308 38.000 0.115 0.000 1.316 572 I HN 0.378 nan 8.210 nan 0.000 0.454 573 V N 2.395 122.429 119.914 0.200 0.000 2.973 573 V HA 0.830 5.130 4.120 0.300 0.000 0.314 573 V C 0.965 177.180 176.094 0.202 0.000 1.066 573 V CA -0.188 62.235 62.300 0.205 0.000 1.021 573 V CB 1.117 33.045 31.823 0.175 0.000 1.076 573 V HN 1.036 nan 8.190 nan 0.000 0.462 574 G N 2.220 111.133 108.800 0.188 0.000 2.246 574 G HA2 -0.180 3.960 3.960 0.300 0.000 0.273 574 G HA3 -0.180 3.960 3.960 0.300 0.000 0.273 574 G C 0.050 175.087 174.900 0.228 0.000 1.055 574 G CA 0.252 45.460 45.100 0.181 0.000 0.851 574 G HN 0.732 nan 8.290 nan 0.000 0.500 575 M N 1.498 121.252 119.600 0.257 0.000 3.442 575 M HA 0.237 4.897 4.480 0.300 0.000 0.232 575 M C 0.647 176.985 176.300 0.063 0.000 1.508 575 M CA 0.565 55.996 55.300 0.219 0.000 1.647 575 M CB -1.235 31.495 32.600 0.217 0.000 1.126 575 M HN 0.660 nan 8.290 nan 0.000 0.557 576 E N -0.153 120.066 120.200 0.033 0.000 2.331 576 E HA 0.398 4.928 4.350 0.300 0.000 0.275 576 E C -0.979 175.512 176.600 -0.181 0.000 0.895 576 E CA -0.952 55.407 56.400 -0.068 0.000 0.753 576 E CB 1.598 31.332 29.700 0.057 0.000 1.216 576 E HN 0.150 nan 8.360 nan 0.000 0.434 577 E N 1.129 121.197 120.200 -0.221 0.000 2.491 577 E HA 0.104 4.634 4.350 0.300 0.000 0.250 577 E C 0.724 177.124 176.600 -0.334 0.000 1.061 577 E CA 1.416 57.666 56.400 -0.250 0.000 0.942 577 E CB 0.744 30.329 29.700 -0.192 0.000 0.957 577 E HN 0.957 nan 8.360 nan 0.000 0.480 578 G N 2.994 111.620 108.800 -0.291 0.000 2.380 578 G HA2 -0.218 3.922 3.960 0.300 0.000 0.197 578 G HA3 -0.218 3.922 3.960 0.300 0.000 0.197 578 G C 0.849 175.591 174.900 -0.263 0.000 1.001 578 G CA 0.090 45.000 45.100 -0.316 0.000 0.668 578 G HN 0.382 nan 8.290 nan 0.000 0.483 579 M N -0.869 118.588 119.600 -0.239 0.000 2.940 579 M HA 0.518 5.178 4.480 0.300 0.000 0.248 579 M C 0.468 176.865 176.300 0.162 0.000 1.379 579 M CA 0.700 55.975 55.300 -0.041 0.000 1.262 579 M CB -0.112 32.480 32.600 -0.013 0.000 1.201 579 M HN 0.312 nan 8.290 nan 0.000 0.553 580 F N 3.388 123.315 119.950 -0.038 0.000 3.051 580 F HA 0.393 5.078 4.527 0.264 0.000 0.363 580 F C -2.519 173.296 175.800 0.025 0.000 1.257 580 F CA -2.062 55.981 58.000 0.073 0.000 1.126 580 F CB 1.743 40.825 39.000 0.136 0.000 1.476 580 F HN -0.127 nan 8.300 nan 0.000 0.576 581 P HA 0.026 nan 4.420 nan 0.000 0.267 581 P C -0.187 177.146 177.300 0.056 0.000 1.205 581 P CA 0.255 63.364 63.100 0.015 0.000 0.765 581 P CB 1.305 32.915 31.700 -0.150 0.000 0.828 582 S N 2.253 118.046 115.700 0.154 0.000 2.580 582 S HA -0.075 4.575 4.470 0.300 0.000 0.261 582 S C 1.434 176.039 174.600 0.008 0.000 1.366 582 S CA -0.008 58.234 58.200 0.070 0.000 0.996 582 S CB 0.331 63.574 63.200 0.072 0.000 0.902 582 S HN 0.452 nan 8.310 nan 0.000 0.566 583 Q N 0.522 120.318 119.800 -0.007 0.000 2.083 583 Q HA -0.062 4.458 4.340 0.300 0.000 0.198 583 Q C 2.062 178.054 176.000 -0.012 0.000 0.969 583 Q CA 1.884 57.679 55.803 -0.013 0.000 0.838 583 Q CB -0.412 28.332 28.738 0.010 0.000 0.900 583 Q HN 0.806 nan 8.270 nan 0.000 0.436 584 M N 0.192 119.785 119.600 -0.012 0.000 2.082 584 M HA -0.200 4.460 4.480 0.300 0.000 0.258 584 M C 2.308 178.600 176.300 -0.013 0.000 1.071 584 M CA 2.271 57.556 55.300 -0.025 0.000 1.103 584 M CB -2.061 30.513 32.600 -0.042 0.000 1.307 584 M HN 0.375 nan 8.290 nan 0.000 0.409 585 S N 0.914 116.619 115.700 0.008 0.000 2.374 585 S HA -0.141 4.509 4.470 0.300 0.000 0.227 585 S C 2.139 176.744 174.600 0.007 0.000 1.037 585 S CA 1.359 59.575 58.200 0.027 0.000 1.024 585 S CB -1.091 62.150 63.200 0.068 0.000 0.861 585 S HN 0.496 nan 8.310 nan 0.000 0.456 586 L N 1.319 122.535 121.223 -0.011 0.000 2.017 586 L HA -0.121 4.399 4.340 0.300 0.000 0.208 586 L C 2.572 179.426 176.870 -0.025 0.000 1.073 586 L CA 1.772 56.593 54.840 -0.031 0.000 0.745 586 L CB -0.823 41.207 42.059 -0.048 0.000 0.894 586 L HN 0.303 nan 8.230 nan 0.000 0.432 587 D N 0.640 121.027 120.400 -0.023 0.000 2.119 587 D HA -0.197 4.623 4.640 0.300 0.000 0.199 587 D C 1.059 177.346 176.300 -0.022 0.000 0.987 587 D CA 1.286 55.272 54.000 -0.025 0.000 0.858 587 D CB -0.523 40.259 40.800 -0.029 0.000 1.008 587 D HN 0.451 nan 8.370 nan 0.000 0.450 588 E N 1.171 121.358 120.200 -0.021 0.000 2.778 588 E HA 0.233 4.763 4.350 0.300 0.000 0.318 588 E C 0.492 177.089 176.600 -0.004 0.000 1.309 588 E CA -0.124 56.267 56.400 -0.016 0.000 1.419 588 E CB -0.979 28.709 29.700 -0.020 0.000 1.150 588 E HN 0.109 nan 8.360 nan 0.000 0.492 589 G N 1.636 110.432 108.800 -0.007 0.000 2.379 589 G HA2 0.031 4.170 3.960 0.300 0.000 0.289 589 G HA3 0.031 4.170 3.960 0.300 0.000 0.289 589 G C 0.678 175.581 174.900 0.005 0.000 0.604 589 G CA 0.159 45.256 45.100 -0.004 0.000 2.090 589 G HN 0.586 nan 8.290 nan 0.000 0.522 590 G N 1.018 109.828 108.800 0.017 0.000 2.937 590 G HA2 0.007 4.147 3.960 0.300 0.000 0.162 590 G HA3 0.007 4.147 3.960 0.300 0.000 0.162 590 G C 1.258 176.183 174.900 0.041 0.000 1.352 590 G CA -0.438 44.677 45.100 0.025 0.000 0.843 590 G HN 0.396 nan 8.290 nan 0.000 0.965 591 R N 0.486 121.017 120.500 0.052 0.000 2.356 591 R HA 0.282 4.802 4.340 0.300 0.000 0.234 591 R C 1.733 178.088 176.300 0.091 0.000 0.929 591 R CA -0.205 55.943 56.100 0.081 0.000 1.084 591 R CB 0.106 30.461 30.300 0.092 0.000 1.105 591 R HN 0.329 nan 8.270 nan 0.000 0.515 592 L N 1.415 122.681 121.223 0.070 0.000 2.156 592 L HA -0.062 4.458 4.340 0.300 0.000 0.208 592 L C 1.842 178.777 176.870 0.108 0.000 1.095 592 L CA 1.779 56.670 54.840 0.086 0.000 0.770 592 L CB -0.063 42.022 42.059 0.042 0.000 0.914 592 L HN 0.083 nan 8.230 nan 0.000 0.439 593 E N -0.808 119.435 120.200 0.071 0.000 2.274 593 E HA -0.240 4.290 4.350 0.300 0.000 0.194 593 E C 1.766 178.395 176.600 0.047 0.000 0.996 593 E CA 0.921 57.352 56.400 0.051 0.000 0.840 593 E CB 0.177 29.891 29.700 0.023 0.000 0.772 593 E HN 0.632 nan 8.360 nan 0.000 0.491 594 E N 0.986 121.231 120.200 0.073 0.000 2.112 594 E HA -0.139 4.391 4.350 0.300 0.000 0.190 594 E C 1.840 178.504 176.600 0.107 0.000 0.979 594 E CA 0.549 56.997 56.400 0.080 0.000 0.814 594 E CB 0.297 30.065 29.700 0.113 0.000 0.762 594 E HN 0.056 nan 8.360 nan 0.000 0.460 595 E N 0.640 120.942 120.200 0.169 0.000 2.077 595 E HA -0.212 4.318 4.350 0.300 0.000 0.193 595 E C 2.115 178.753 176.600 0.064 0.000 0.989 595 E CA 0.848 57.410 56.400 0.270 0.000 0.800 595 E CB -0.231 29.688 29.700 0.364 0.000 0.746 595 E HN 0.239 nan 8.360 nan 0.000 0.452 596 R N 0.936 121.431 120.500 -0.009 0.000 2.115 596 R HA -0.058 4.462 4.340 0.300 0.000 0.230 596 R C 2.252 178.415 176.300 -0.228 0.000 1.111 596 R CA 0.932 56.817 56.100 -0.359 0.000 0.976 596 R CB 0.087 30.357 30.300 -0.050 0.000 0.870 596 R HN 0.012 nan 8.270 nan 0.000 0.445 597 R N -0.035 120.425 120.500 -0.067 0.000 2.115 597 R HA -0.090 4.430 4.340 0.300 0.000 0.226 597 R C 2.211 178.530 176.300 0.032 0.000 1.100 597 R CA 0.933 57.029 56.100 -0.006 0.000 0.980 597 R CB -0.286 30.010 30.300 -0.007 0.000 0.875 597 R HN 0.189 nan 8.270 nan 0.000 0.445 598 L N 0.751 121.976 121.223 0.003 0.000 2.093 598 L HA -0.048 4.472 4.340 0.300 0.000 0.208 598 L C 2.215 179.123 176.870 0.063 0.000 1.085 598 L CA 1.606 56.427 54.840 -0.031 0.000 0.755 598 L CB -0.450 41.597 42.059 -0.019 0.000 0.904 598 L HN 0.082 nan 8.230 nan 0.000 0.435 599 A N -1.110 121.768 122.820 0.098 0.000 1.877 599 A HA -0.307 4.193 4.320 0.300 0.000 0.216 599 A C 2.293 179.858 177.584 -0.032 0.000 1.186 599 A CA 1.866 53.910 52.037 0.011 0.000 0.620 599 A CB -1.291 17.212 19.000 -0.829 0.000 0.822 599 A HN 0.602 nan 8.150 nan 0.000 0.443 600 Y N 0.887 121.085 120.300 -0.169 0.000 2.114 600 Y HA -0.247 4.482 4.550 0.298 0.000 0.282 600 Y C 2.336 178.187 175.900 -0.080 0.000 1.165 600 Y CA 1.923 59.953 58.100 -0.116 0.000 1.148 600 Y CB -0.645 37.750 38.460 -0.108 0.000 0.972 600 Y HN 0.067 nan 8.280 nan 0.000 0.504 601 V N 0.301 120.136 119.914 -0.132 0.000 2.220 601 V HA -0.338 3.962 4.120 0.300 0.000 0.246 601 V C 2.701 178.676 176.094 -0.199 0.000 1.049 601 V CA 2.162 64.339 62.300 -0.206 0.000 1.003 601 V CB -1.683 30.064 31.823 -0.127 0.000 0.634 601 V HN 0.636 nan 8.190 nan 0.000 0.444 602 G N -0.284 108.437 108.800 -0.131 0.000 2.553 602 G HA2 -0.282 3.858 3.960 0.300 0.000 0.218 602 G HA3 -0.282 3.858 3.960 0.300 0.000 0.218 602 G C 1.694 176.534 174.900 -0.101 0.000 1.195 602 G CA 1.545 46.585 45.100 -0.101 0.000 0.779 602 G HN 0.363 nan 8.290 nan 0.000 0.577 603 V N 1.753 121.604 119.914 -0.105 0.000 2.255 603 V HA -0.212 4.088 4.120 0.300 0.000 0.247 603 V C 3.252 179.250 176.094 -0.161 0.000 1.051 603 V CA 2.549 64.784 62.300 -0.108 0.000 1.018 603 V CB -1.150 30.623 31.823 -0.082 0.000 0.641 603 V HN 0.693 nan 8.190 nan 0.000 0.445 604 T N -2.157 112.229 114.554 -0.280 0.000 3.155 604 T HA -0.142 4.388 4.350 0.300 0.000 0.264 604 T C 1.743 176.334 174.700 -0.182 0.000 1.160 604 T CA 0.772 62.700 62.100 -0.286 0.000 1.075 604 T CB -0.293 68.268 68.868 -0.511 0.000 0.921 604 T HN 0.240 nan 8.240 nan 0.000 0.533 605 R N 1.617 122.040 120.500 -0.129 0.000 2.153 605 R HA 0.464 4.984 4.340 0.300 0.000 0.218 605 R C 1.225 177.517 176.300 -0.012 0.000 1.072 605 R CA 0.558 56.631 56.100 -0.045 0.000 0.990 605 R CB -0.659 29.654 30.300 0.021 0.000 0.889 605 R HN 0.568 nan 8.270 nan 0.000 0.452 606 A N 0.179 122.967 122.820 -0.053 0.000 2.440 606 A HA 0.205 4.705 4.320 0.300 0.000 0.251 606 A C 0.674 178.221 177.584 -0.062 0.000 1.089 606 A CA -0.016 51.982 52.037 -0.065 0.000 0.779 606 A CB 0.276 19.213 19.000 -0.105 0.000 1.022 606 A HN 0.217 nan 8.150 nan 0.000 0.492 607 M N 0.733 120.301 119.600 -0.053 0.000 2.553 607 M HA 0.002 4.662 4.480 0.300 0.000 0.255 607 M C 2.049 178.330 176.300 -0.031 0.000 1.181 607 M CA 1.164 56.441 55.300 -0.038 0.000 1.210 607 M CB -0.104 32.483 32.600 -0.020 0.000 1.280 607 M HN 0.889 nan 8.290 nan 0.000 0.495 608 Q N -0.227 119.549 119.800 -0.041 0.000 2.389 608 Q HA 0.106 4.626 4.340 0.300 0.000 0.201 608 Q C 0.271 176.237 176.000 -0.058 0.000 0.956 608 Q CA 0.559 56.349 55.803 -0.021 0.000 0.871 608 Q CB 0.678 29.433 28.738 0.028 0.000 0.990 608 Q HN -0.034 nan 8.270 nan 0.000 0.554 609 K N 0.755 121.075 120.400 -0.133 0.000 2.345 609 K HA 0.446 4.946 4.320 0.300 0.000 0.255 609 K C -1.935 174.511 176.600 -0.256 0.000 0.934 609 K CA -0.579 55.602 56.287 -0.177 0.000 0.801 609 K CB 1.595 33.967 32.500 -0.213 0.000 1.137 609 K HN -0.023 nan 8.250 nan 0.000 0.424 610 L N 2.755 123.860 121.223 -0.196 0.000 2.362 610 L HA 0.678 5.198 4.340 0.300 0.000 0.275 610 L C -1.380 175.386 176.870 -0.173 0.000 0.998 610 L CA 0.247 54.965 54.840 -0.203 0.000 0.820 610 L CB 2.295 44.291 42.059 -0.106 0.000 1.270 610 L HN 0.715 nan 8.230 nan 0.000 0.415 611 T N 6.005 120.429 114.554 -0.217 0.000 2.881 611 T HA 0.639 5.169 4.350 0.300 0.000 0.290 611 T C -0.796 173.977 174.700 0.122 0.000 1.000 611 T CA -0.353 61.732 62.100 -0.024 0.000 0.978 611 T CB 1.189 70.048 68.868 -0.015 0.000 0.997 611 T HN 0.477 nan 8.240 nan 0.000 0.443 612 L N 3.274 124.613 121.223 0.193 0.000 2.341 612 L HA 0.784 5.304 4.340 0.300 0.000 0.278 612 L C 0.449 177.492 176.870 0.288 0.000 1.005 612 L CA -0.869 54.110 54.840 0.231 0.000 0.818 612 L CB 2.048 44.225 42.059 0.197 0.000 1.259 612 L HN 0.766 nan 8.230 nan 0.000 0.418 613 T N -0.887 113.844 114.554 0.295 0.000 2.907 613 T HA 0.790 5.320 4.350 0.300 0.000 0.292 613 T C -1.026 173.830 174.700 0.260 0.000 1.043 613 T CA -0.704 61.531 62.100 0.225 0.000 1.003 613 T CB 1.981 70.988 68.868 0.231 0.000 1.084 613 T HN 0.512 nan 8.240 nan 0.000 0.483 614 Y N -0.709 119.581 120.300 -0.016 0.000 2.552 614 Y HA 0.813 5.511 4.550 0.247 0.000 0.337 614 Y C -0.917 174.920 175.900 -0.106 0.000 1.094 614 Y CA -1.799 56.283 58.100 -0.029 0.000 1.028 614 Y CB 0.889 39.335 38.460 -0.023 0.000 1.321 614 Y HN 0.989 nan 8.280 nan 0.000 0.456 615 A N 2.358 125.167 122.820 -0.017 0.000 2.305 615 A HA 0.477 4.977 4.320 0.300 0.000 0.322 615 A C 0.458 177.955 177.584 -0.144 0.000 1.187 615 A CA -0.662 51.281 52.037 -0.157 0.000 0.825 615 A CB 0.683 19.606 19.000 -0.128 0.000 1.164 615 A HN 0.986 nan 8.150 nan 0.000 0.498 616 E N 0.429 120.464 120.200 -0.275 0.000 2.150 616 E HA -0.056 4.474 4.350 0.300 0.000 0.193 616 E C 0.348 176.623 176.600 -0.541 0.000 0.985 616 E CA 1.440 57.680 56.400 -0.267 0.000 0.814 616 E CB 0.185 29.708 29.700 -0.296 0.000 0.752 616 E HN 0.599 nan 8.360 nan 0.000 0.466 617 T N -0.434 113.718 114.554 -0.671 0.000 2.982 617 T HA 0.420 4.950 4.350 0.300 0.000 0.321 617 T C -1.689 172.721 174.700 -0.484 0.000 1.229 617 T CA -0.945 60.646 62.100 -0.848 0.000 1.044 617 T CB 1.196 69.221 68.868 -1.405 0.000 1.184 617 T HN 0.173 nan 8.240 nan 0.000 0.477 618 R N 2.310 122.577 120.500 -0.388 0.000 2.855 618 R HA 0.712 5.232 4.340 0.300 0.000 0.266 618 R C -1.074 175.091 176.300 -0.227 0.000 1.034 618 R CA -1.325 54.631 56.100 -0.240 0.000 0.944 618 R CB 1.654 31.863 30.300 -0.151 0.000 1.219 618 R HN 0.486 nan 8.270 nan 0.000 0.474 619 R N 1.627 122.028 120.500 -0.165 0.000 2.288 619 R HA 0.455 4.975 4.340 0.300 0.000 0.326 619 R C -1.280 174.920 176.300 -0.166 0.000 0.959 619 R CA -0.467 55.548 56.100 -0.142 0.000 0.834 619 R CB 0.923 31.163 30.300 -0.101 0.000 1.157 619 R HN 0.593 nan 8.270 nan 0.000 0.470 620 L N 5.164 126.279 121.223 -0.181 0.000 2.385 620 L HA 0.426 4.946 4.340 0.300 0.000 0.273 620 L C -0.558 176.175 176.870 -0.228 0.000 0.990 620 L CA -0.967 53.672 54.840 -0.335 0.000 0.821 620 L CB 1.685 43.538 42.059 -0.343 0.000 1.279 620 L HN 0.747 nan 8.230 nan 0.000 0.412 621 Y N 1.601 121.891 120.300 -0.016 0.000 3.168 621 Y HA -0.222 4.515 4.550 0.312 0.000 0.207 621 Y C 1.375 177.266 175.900 -0.015 0.000 1.280 621 Y CA 0.599 58.691 58.100 -0.013 0.000 1.235 621 Y CB -1.707 36.748 38.460 -0.009 0.000 1.370 621 Y HN 0.965 nan 8.280 nan 0.000 0.537 622 G N -0.242 108.581 108.800 0.039 0.000 2.247 622 G HA2 0.246 4.386 3.960 0.300 0.000 0.260 622 G HA3 0.246 4.386 3.960 0.300 0.000 0.260 622 G C -0.189 174.730 174.900 0.031 0.000 0.852 622 G CA 0.978 46.092 45.100 0.023 0.000 1.281 622 G HN 1.438 nan 8.290 nan 0.000 0.378 623 K N 0.852 121.257 120.400 0.008 0.000 2.663 623 K HA 0.672 5.172 4.320 0.300 0.000 0.267 623 K C -0.094 176.494 176.600 -0.020 0.000 1.004 623 K CA 0.086 56.380 56.287 0.012 0.000 0.947 623 K CB 0.188 32.713 32.500 0.042 0.000 1.372 623 K HN 1.577 nan 8.250 nan 0.000 0.411 624 E N 0.532 120.725 120.200 -0.012 0.000 2.316 624 E HA 0.583 5.113 4.350 0.300 0.000 0.275 624 E C 0.262 176.852 176.600 -0.017 0.000 1.029 624 E CA -0.509 55.868 56.400 -0.037 0.000 0.871 624 E CB 1.346 31.058 29.700 0.020 0.000 1.022 624 E HN 1.085 nan 8.360 nan 0.000 0.418 625 V N 1.281 121.115 119.914 -0.134 0.000 3.001 625 V HA 0.483 4.783 4.120 0.300 0.000 0.314 625 V C -1.373 174.591 176.094 -0.217 0.000 1.099 625 V CA -1.035 61.183 62.300 -0.136 0.000 0.989 625 V CB 1.233 32.864 31.823 -0.321 0.000 1.040 625 V HN 0.718 nan 8.190 nan 0.000 0.434 626 Y N 1.837 121.995 120.300 -0.236 0.000 2.748 626 Y HA 0.518 5.263 4.550 0.326 0.000 0.359 626 Y C 0.569 176.413 175.900 -0.093 0.000 1.030 626 Y CA -0.474 57.523 58.100 -0.170 0.000 1.169 626 Y CB 0.097 38.487 38.460 -0.116 0.000 1.127 626 Y HN 0.818 nan 8.280 nan 0.000 0.644 627 H N 1.869 120.956 119.070 0.030 0.000 2.948 627 H HA 0.180 4.745 4.556 0.015 0.000 0.351 627 H C 0.311 175.642 175.328 0.006 0.000 1.079 627 H CA -0.286 55.767 56.048 0.010 0.000 1.407 627 H CB 0.846 30.600 29.762 -0.012 0.000 1.373 627 H HN 0.338 nan 8.280 nan 0.000 0.605 628 R N 3.025 123.592 120.500 0.112 0.000 2.560 628 R HA 0.172 4.692 4.340 0.300 0.000 0.270 628 R C -2.441 173.820 176.300 -0.065 0.000 1.074 628 R CA -2.004 54.101 56.100 0.010 0.000 1.140 628 R CB -0.152 30.126 30.300 -0.036 0.000 1.073 628 R HN 0.488 nan 8.270 nan 0.000 0.527 629 P HA -0.018 nan 4.420 nan 0.000 0.271 629 P C -0.092 177.017 177.300 -0.318 0.000 1.216 629 P CA 0.009 62.889 63.100 -0.367 0.000 0.776 629 P CB 0.574 31.958 31.700 -0.527 0.000 0.881 630 S N 2.262 117.762 115.700 -0.333 0.000 2.558 630 S HA -0.052 4.598 4.470 0.300 0.000 0.291 630 S C 1.605 175.970 174.600 -0.390 0.000 1.306 630 S CA -0.272 57.705 58.200 -0.372 0.000 1.056 630 S CB 0.142 63.153 63.200 -0.314 0.000 0.836 630 S HN 0.502 nan 8.310 nan 0.000 0.504 631 R N 3.840 124.027 120.500 -0.522 0.000 2.189 631 R HA -0.067 4.453 4.340 0.300 0.000 0.223 631 R C 1.523 177.659 176.300 -0.274 0.000 1.092 631 R CA 1.619 57.485 56.100 -0.391 0.000 0.989 631 R CB -0.630 29.423 30.300 -0.412 0.000 0.876 631 R HN 0.725 nan 8.270 nan 0.000 0.457 632 F N 1.512 121.341 119.950 -0.202 0.000 2.216 632 F HA -0.078 4.626 4.527 0.296 0.000 0.300 632 F C 2.245 177.973 175.800 -0.120 0.000 1.085 632 F CA 0.584 58.477 58.000 -0.177 0.000 1.326 632 F CB -0.183 38.658 39.000 -0.265 0.000 1.027 632 F HN -0.091 nan 8.300 nan 0.000 0.497 633 I N 0.102 120.684 120.570 0.020 0.000 2.226 633 I HA -0.217 4.133 4.170 0.300 0.000 0.245 633 I C 2.783 178.893 176.117 -0.012 0.000 1.100 633 I CA 1.520 62.817 61.300 -0.006 0.000 1.374 633 I CB -1.032 36.908 38.000 -0.100 0.000 1.057 633 I HN 0.156 nan 8.210 nan 0.000 0.413 634 G N 0.100 108.871 108.800 -0.048 0.000 2.422 634 G HA2 -0.197 3.943 3.960 0.300 0.000 0.218 634 G HA3 -0.197 3.943 3.960 0.300 0.000 0.218 634 G C 1.455 176.352 174.900 -0.005 0.000 1.140 634 G CA 0.314 45.392 45.100 -0.035 0.000 0.775 634 G HN 0.394 nan 8.290 nan 0.000 0.545 635 E N -0.327 119.883 120.200 0.016 0.000 2.472 635 E HA 0.067 4.597 4.350 0.300 0.000 0.200 635 E C 0.529 177.151 176.600 0.036 0.000 1.046 635 E CA -0.245 56.176 56.400 0.035 0.000 0.871 635 E CB -0.053 29.694 29.700 0.078 0.000 0.806 635 E HN 0.376 nan 8.360 nan 0.000 0.533 636 L N 1.487 122.731 121.223 0.035 0.000 2.395 636 L HA 0.248 4.768 4.340 0.300 0.000 0.269 636 L C -2.125 174.760 176.870 0.025 0.000 1.133 636 L CA -2.249 52.611 54.840 0.033 0.000 0.812 636 L CB 0.149 42.231 42.059 0.038 0.000 1.125 636 L HN -0.263 nan 8.230 nan 0.000 0.452 637 P HA 0.016 nan 4.420 nan 0.000 0.271 637 P C 0.404 177.718 177.300 0.022 0.000 1.233 637 P CA -0.038 63.075 63.100 0.021 0.000 0.764 637 P CB 0.664 32.377 31.700 0.022 0.000 0.825 638 E N 3.604 123.816 120.200 0.020 0.000 2.187 638 E HA -0.273 4.257 4.350 0.300 0.000 0.199 638 E C 1.262 177.877 176.600 0.025 0.000 1.004 638 E CA 1.139 57.552 56.400 0.022 0.000 0.813 638 E CB 0.198 29.908 29.700 0.018 0.000 0.736 638 E HN 0.486 nan 8.360 nan 0.000 0.468 639 E N -0.464 119.749 120.200 0.022 0.000 2.516 639 E HA -0.109 4.420 4.350 0.300 0.000 0.199 639 E C 1.359 177.975 176.600 0.025 0.000 1.069 639 E CA 0.514 56.927 56.400 0.023 0.000 0.876 639 E CB -0.118 29.594 29.700 0.020 0.000 0.843 639 E HN 0.341 nan 8.360 nan 0.000 0.530 640 C N 0.512 119.828 119.300 0.027 0.000 3.065 640 C HA 0.312 4.952 4.460 0.300 0.000 0.285 640 C C 0.811 175.820 174.990 0.032 0.000 1.257 640 C CA -0.517 58.517 59.018 0.027 0.000 1.691 640 C CB -0.035 27.719 27.740 0.024 0.000 2.089 640 C HN 0.092 nan 8.230 nan 0.000 0.630 641 V N 1.766 121.703 119.914 0.037 0.000 2.435 641 V HA 0.456 4.756 4.120 0.300 0.000 0.290 641 V C -0.438 175.688 176.094 0.054 0.000 1.030 641 V CA -0.227 62.102 62.300 0.048 0.000 0.881 641 V CB 1.627 33.480 31.823 0.050 0.000 0.983 641 V HN 0.407 nan 8.190 nan 0.000 0.445 642 E N 2.868 123.108 120.200 0.067 0.000 2.255 642 E HA 0.321 4.851 4.350 0.300 0.000 0.256 642 E C -0.574 176.082 176.600 0.093 0.000 0.887 642 E CA -0.537 55.906 56.400 0.071 0.000 0.782 642 E CB 1.512 31.252 29.700 0.067 0.000 1.214 642 E HN 0.816 nan 8.360 nan 0.000 0.417 643 E N 2.593 122.847 120.200 0.089 0.000 2.414 643 E HA 0.067 4.597 4.350 0.300 0.000 0.263 643 E C -0.671 176.001 176.600 0.119 0.000 1.000 643 E CA -0.238 56.223 56.400 0.103 0.000 0.914 643 E CB 0.974 30.724 29.700 0.083 0.000 0.948 643 E HN 0.279 nan 8.360 nan 0.000 0.444 644 V N 6.648 126.656 119.914 0.156 0.000 2.370 644 V HA 0.117 4.417 4.120 0.300 0.000 0.257 644 V C 0.108 176.313 176.094 0.185 0.000 1.064 644 V CA -0.121 62.301 62.300 0.203 0.000 0.975 644 V CB 0.236 32.243 31.823 0.307 0.000 1.067 644 V HN 0.515 nan 8.190 nan 0.000 0.485 645 R N 5.423 126.007 120.500 0.140 0.000 2.265 645 R HA 0.545 5.065 4.340 0.300 0.000 0.319 645 R C -0.555 175.816 176.300 0.119 0.000 1.006 645 R CA -0.528 55.641 56.100 0.114 0.000 0.880 645 R CB 1.334 31.683 30.300 0.081 0.000 1.077 645 R HN 0.553 nan 8.270 nan 0.000 0.454 646 L N 2.523 123.820 121.223 0.123 0.000 2.350 646 L HA 0.482 5.002 4.340 0.300 0.000 0.275 646 L C 1.481 178.394 176.870 0.072 0.000 1.099 646 L CA -0.513 54.391 54.840 0.107 0.000 0.808 646 L CB 0.615 42.749 42.059 0.125 0.000 1.149 646 L HN 0.641 nan 8.230 nan 0.000 0.442 651 S N 1.721 117.420 115.700 -0.001 0.000 2.509 651 S HA 1.026 5.676 4.470 0.300 0.000 0.297 651 S C 0.647 175.246 174.600 -0.002 0.000 1.118 651 S CA 0.207 58.405 58.200 -0.003 0.000 1.074 651 S CB 0.990 64.187 63.200 -0.005 0.000 1.038 651 S HN 2.600 nan 8.310 nan 0.000 0.498 652 R N 0.752 121.251 120.500 -0.002 0.000 2.478 652 R HA 0.405 4.925 4.340 0.300 0.000 0.277 652 R C -0.666 175.632 176.300 -0.002 0.000 0.913 652 R CA 0.381 56.480 56.100 -0.002 0.000 1.125 652 R CB -2.072 28.226 30.300 -0.003 0.000 0.863 652 R HN 1.444 nan 8.270 nan 0.000 0.426 653 P HA 0.571 nan 4.420 nan 0.000 0.266 653 P C 0.191 177.490 177.300 -0.002 0.000 1.193 653 P CA 0.938 64.038 63.100 -0.001 0.000 0.770 653 P CB 0.482 32.181 31.700 -0.001 0.000 0.836 658 R N 0.000 120.499 120.500 -0.002 0.000 2.786 658 R HA 0.000 4.520 4.340 0.300 0.000 0.208 658 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 658 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 658 R HN 0.000 nan 8.270 nan 0.000 0.535