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 1qa1_1_A DATA FIRST_RESID 113 DATA SEQUENCE YSIEADKKFK YSVKLSDYPT LQDAASAAVD GLLIDRDYNF YGGETVDFGG DATA SEQUENCE KVLTIECKAK FIGDGNLIFT KLGKGSRIAG VFMESTTTPW VIKPWTDDNQ DATA SEQUENCE WLTDAAAVVA TLKQSKTDGY QPTVSDYVKF PGIETLLPPN AKGQNITSTL DATA SEQUENCE EIRECIGVEV HRASGLMAGF LFRGCHFCKM VDANNPSGGK DGIITFENLS DATA SEQUENCE GDWGKGNYVI GGRTSYGSGS SAQFLRNNGG FERDGGVIGF TSYRAGESGV DATA SEQUENCE KTWQGTVGST TSRNYNLQFR DSVVIYPVWD GFDLGADTXX XXXXDRPGDY DATA SEQUENCE PITQYPLHQL PLNHLIDNLL VRGALGVGFG MDGKGMYVSN ITVEDCAGSG DATA SEQUENCE AYLLTHESVF TNIAIIDTNT KDFQANQIYI SGACRVNGLR LIGIRXXXXX DATA SEQUENCE XLTIDAPNST VSGITGMVDP SRINVANLAE EGLGNIRANS FGYDSAAIKL DATA SEQUENCE RIHKLSKTLD SGALYSHING GAGSGSAYTQ LTAISGSTPD AVSLKVNHKD DATA SEQUENCE CRGAEIPFVP DIASDDFIKD SSCFLPYWEN NSTSLKALVK KPNGELVRLT DATA SEQUENCE LATL 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 113 Y HA 0.000 nan 4.550 nan 0.000 0.201 113 Y C 0.000 175.917 175.900 0.028 0.000 1.272 113 Y CA 0.000 58.113 58.100 0.021 0.000 1.940 113 Y CB 0.000 38.480 38.460 0.034 0.000 1.050 114 S N 1.853 117.566 115.700 0.022 0.000 2.374 114 S HA -0.325 nan 4.470 nan 0.000 0.227 114 S C 1.486 176.022 174.600 -0.108 0.000 1.037 114 S CA 2.911 61.084 58.200 -0.045 0.000 1.024 114 S CB -0.417 62.807 63.200 0.041 0.000 0.861 114 S HN 0.228 8.623 8.310 0.143 0.000 0.456 115 I N 1.363 121.890 120.570 -0.072 0.000 2.163 115 I HA -0.265 nan 4.170 nan 0.000 0.243 115 I C 2.362 178.403 176.117 -0.126 0.000 1.085 115 I CA 2.183 63.444 61.300 -0.065 0.000 1.347 115 I CB -1.352 36.627 38.000 -0.035 0.000 1.044 115 I HN 0.064 8.249 8.210 -0.033 0.005 0.408 116 E N 0.291 120.372 120.200 -0.199 0.000 2.047 116 E HA -0.293 nan 4.350 nan 0.000 0.191 116 E C 1.976 178.323 176.600 -0.421 0.000 0.987 116 E CA 3.113 59.352 56.400 -0.269 0.000 0.799 116 E CB -0.065 29.485 29.700 -0.251 0.000 0.752 116 E HN -0.052 8.119 8.360 -0.183 0.080 0.449 117 A N -0.950 121.498 122.820 -0.619 0.000 1.908 117 A HA -0.319 nan 4.320 nan 0.000 0.218 117 A C 2.166 179.597 177.584 -0.255 0.000 1.181 117 A CA 3.251 54.945 52.037 -0.571 0.000 0.627 117 A CB -0.766 17.959 19.000 -0.458 0.000 0.818 117 A HN 0.484 8.084 8.150 -0.730 0.112 0.445 118 D N -3.213 117.109 120.400 -0.129 0.000 2.221 118 D HA -0.215 nan 4.640 nan 0.000 0.204 118 D C 2.559 178.918 176.300 0.098 0.000 0.982 118 D CA 3.162 57.190 54.000 0.048 0.000 0.857 118 D CB -0.295 40.550 40.800 0.076 0.000 0.934 118 D HN 0.168 8.334 8.370 -0.164 0.105 0.475 119 K N -2.663 117.705 120.400 -0.054 0.000 2.352 119 K HA 0.086 nan 4.320 nan 0.000 0.194 119 K C 0.549 177.083 176.600 -0.110 0.000 1.038 119 K CA 1.067 57.326 56.287 -0.046 0.000 1.023 119 K CB 0.673 33.129 32.500 -0.073 0.000 0.840 119 K HN -0.497 7.517 8.250 -0.142 0.151 0.519 120 K N -1.687 118.537 120.400 -0.293 0.000 2.355 120 K HA 0.057 nan 4.320 nan 0.000 0.198 120 K C 0.124 176.490 176.600 -0.390 0.000 1.039 120 K CA 0.589 56.637 56.287 -0.398 0.000 1.075 120 K CB 1.028 33.176 32.500 -0.587 0.000 0.870 120 K HN -0.669 7.233 8.250 -0.390 0.114 0.540 121 F N 0.756 120.705 119.950 -0.001 0.000 2.492 121 F HA 0.139 nan 4.527 nan 0.000 0.327 121 F C -0.221 175.598 175.800 0.032 0.000 1.079 121 F CA -1.544 56.442 58.000 -0.023 0.000 0.967 121 F CB 1.389 40.326 39.000 -0.104 0.000 1.169 121 F HN -0.731 7.478 8.300 -0.153 0.000 0.472 122 K N 2.961 123.520 120.400 0.265 0.000 2.379 122 K HA -0.013 nan 4.320 nan 0.000 0.284 122 K C -0.505 176.197 176.600 0.171 0.000 1.044 122 K CA 0.017 56.435 56.287 0.219 0.000 0.974 122 K CB 0.314 32.899 32.500 0.142 0.000 0.962 122 K HN 0.165 8.589 8.250 0.289 0.000 0.474 123 Y N 6.135 126.477 120.300 0.069 0.000 2.335 123 Y HA -0.009 nan 4.550 nan 0.000 0.331 123 Y C -0.721 175.205 175.900 0.044 0.000 1.094 123 Y CA 0.223 58.358 58.100 0.058 0.000 1.253 123 Y CB 1.152 39.639 38.460 0.046 0.000 1.203 123 Y HN 0.433 9.034 8.280 0.535 0.000 0.508 124 S N 1.338 117.114 115.700 0.126 0.000 2.548 124 S HA 0.381 nan 4.470 nan 0.000 0.278 124 S C -1.599 173.055 174.600 0.089 0.000 1.150 124 S CA -0.517 57.741 58.200 0.098 0.000 0.907 124 S CB 2.083 65.321 63.200 0.065 0.000 1.108 124 S HN -0.033 8.309 8.310 0.052 0.000 0.459 125 V N -0.039 119.939 119.914 0.107 0.000 2.732 125 V HA 0.752 nan 4.120 nan 0.000 0.310 125 V C -2.143 174.047 176.094 0.160 0.000 1.053 125 V CA -3.090 59.304 62.300 0.158 0.000 0.957 125 V CB 2.292 34.205 31.823 0.149 0.000 1.018 125 V HN 0.195 8.441 8.190 0.094 0.000 0.452 126 K N 0.642 121.180 120.400 0.231 0.000 2.371 126 K HA 0.632 nan 4.320 nan 0.000 0.251 126 K C 0.588 177.358 176.600 0.283 0.000 0.934 126 K CA -1.350 55.048 56.287 0.185 0.000 0.798 126 K CB 2.772 35.337 32.500 0.108 0.000 1.204 126 K HN 0.015 8.448 8.250 0.305 0.000 0.427 127 L N 3.610 124.969 121.223 0.227 0.000 2.129 127 L HA -0.386 nan 4.340 nan 0.000 0.212 127 L C 1.280 178.296 176.870 0.242 0.000 1.087 127 L CA 2.641 57.640 54.840 0.265 0.000 0.757 127 L CB -0.282 41.892 42.059 0.192 0.000 0.896 127 L HN 0.655 8.985 8.230 0.166 0.000 0.434 128 S N -0.421 115.368 115.700 0.149 0.000 2.465 128 S HA -0.261 nan 4.470 nan 0.000 0.241 128 S C 1.188 175.791 174.600 0.004 0.000 1.000 128 S CA 2.727 60.977 58.200 0.083 0.000 0.964 128 S CB -0.393 62.837 63.200 0.050 0.000 0.763 128 S HN -0.060 8.578 8.310 0.134 -0.248 0.512 129 D N -0.890 119.463 120.400 -0.078 0.000 2.350 129 D HA 0.101 nan 4.640 nan 0.000 0.213 129 D C -0.705 175.149 176.300 -0.744 0.000 1.031 129 D CA 1.157 54.904 54.000 -0.423 0.000 0.861 129 D CB 0.739 41.163 40.800 -0.627 0.000 0.926 129 D HN -0.467 7.770 8.370 0.044 0.160 0.520 130 Y N -1.518 118.818 120.300 0.060 0.000 2.536 130 Y HA 0.382 nan 4.550 nan 0.000 0.347 130 Y C -1.519 174.441 175.900 0.099 0.000 1.000 130 Y CA -3.211 54.928 58.100 0.064 0.000 1.051 130 Y CB 0.913 39.401 38.460 0.047 0.000 1.259 130 Y HN -0.230 7.958 8.280 0.122 0.166 0.468 131 P HA 0.070 nan 4.420 nan 0.000 0.221 131 P C -0.848 176.626 177.300 0.290 0.000 1.155 131 P CA 1.281 64.505 63.100 0.207 0.000 0.812 131 P CB 0.618 32.404 31.700 0.145 0.000 0.801 132 T N -5.574 109.148 114.554 0.280 0.000 2.916 132 T HA 0.296 nan 4.350 nan 0.000 0.292 132 T C 0.198 174.960 174.700 0.103 0.000 1.064 132 T CA -1.896 60.385 62.100 0.301 0.000 1.011 132 T CB 3.496 72.488 68.868 0.206 0.000 1.152 132 T HN -0.899 7.492 8.240 0.251 0.000 0.510 133 L N 1.419 122.569 121.223 -0.122 0.000 2.093 133 L HA -0.115 nan 4.340 nan 0.000 0.208 133 L C 0.710 177.400 176.870 -0.301 0.000 1.085 133 L CA 2.712 57.326 54.840 -0.378 0.000 0.755 133 L CB 0.029 41.686 42.059 -0.671 0.000 0.904 133 L HN 0.076 8.325 8.230 0.032 0.000 0.435 134 Q N -1.135 118.527 119.800 -0.229 0.000 2.124 134 Q HA -0.373 nan 4.340 nan 0.000 0.202 134 Q C 2.000 177.858 176.000 -0.236 0.000 0.977 134 Q CA 3.061 58.703 55.803 -0.270 0.000 0.850 134 Q CB -0.959 27.678 28.738 -0.169 0.000 0.901 134 Q HN 0.246 8.436 8.270 -0.134 0.000 0.429 135 D N -0.472 119.841 120.400 -0.146 0.000 2.117 135 D HA -0.305 nan 4.640 nan 0.000 0.197 135 D C 1.985 178.014 176.300 -0.452 0.000 0.987 135 D CA 3.285 57.197 54.000 -0.146 0.000 0.829 135 D CB -0.361 40.479 40.800 0.066 0.000 0.961 135 D HN -0.393 7.934 8.370 -0.070 0.000 0.460 136 A N -0.703 121.768 122.820 -0.583 0.000 1.877 136 A HA -0.243 nan 4.320 nan 0.000 0.216 136 A C 1.927 179.227 177.584 -0.474 0.000 1.186 136 A CA 2.980 54.496 52.037 -0.868 0.000 0.620 136 A CB -0.676 18.075 19.000 -0.415 0.000 0.822 136 A HN -0.596 7.358 8.150 -0.326 0.000 0.443 137 A N -2.009 120.596 122.820 -0.358 0.000 1.908 137 A HA -0.349 nan 4.320 nan 0.000 0.218 137 A C 2.415 179.863 177.584 -0.226 0.000 1.181 137 A CA 3.040 54.896 52.037 -0.302 0.000 0.627 137 A CB -0.842 17.736 19.000 -0.703 0.000 0.818 137 A HN 0.276 8.198 8.150 -0.379 0.000 0.445 138 S N -1.285 114.265 115.700 -0.250 0.000 2.382 138 S HA -0.315 nan 4.470 nan 0.000 0.228 138 S C 1.906 176.434 174.600 -0.119 0.000 1.027 138 S CA 3.432 61.535 58.200 -0.160 0.000 0.991 138 S CB -0.177 62.942 63.200 -0.135 0.000 0.823 138 S HN 0.073 8.208 8.310 -0.292 0.000 0.469 139 A N 0.307 123.018 122.820 -0.181 0.000 2.067 139 A HA -0.032 nan 4.320 nan 0.000 0.217 139 A C -0.209 177.352 177.584 -0.039 0.000 1.156 139 A CA 0.647 52.624 52.037 -0.100 0.000 0.683 139 A CB 0.103 19.015 19.000 -0.147 0.000 0.808 139 A HN -0.737 7.145 8.150 -0.305 0.085 0.455 140 A N -2.103 120.678 122.820 -0.066 0.000 2.531 140 A HA -0.090 nan 4.320 nan 0.000 0.236 140 A C -0.682 176.921 177.584 0.030 0.000 1.062 140 A CA 1.128 53.168 52.037 0.005 0.000 0.760 140 A CB 0.797 19.807 19.000 0.016 0.000 0.995 140 A HN -0.527 7.410 8.150 -0.130 0.134 0.501 141 V N 2.266 122.214 119.914 0.057 0.000 3.137 141 V HA 0.016 nan 4.120 nan 0.000 0.236 141 V C -0.397 175.704 176.094 0.012 0.000 1.260 141 V CA 1.871 64.186 62.300 0.025 0.000 1.244 141 V CB 0.858 32.695 31.823 0.022 0.000 1.016 141 V HN 0.984 9.225 8.190 0.085 0.000 0.477 142 D N -2.652 117.781 120.400 0.054 0.000 3.118 142 D HA 0.146 nan 4.640 nan 0.000 0.222 142 D C -0.661 175.666 176.300 0.045 0.000 1.470 142 D CA 0.614 54.639 54.000 0.042 0.000 1.347 142 D CB 2.152 42.994 40.800 0.071 0.000 1.221 142 D HN -0.394 8.035 8.370 0.099 0.000 0.326 143 G N -1.451 107.393 108.800 0.074 0.000 2.434 143 G HA2 0.700 nan 3.960 nan 0.000 0.330 143 G HA3 0.700 nan 3.960 nan 0.000 0.330 143 G C -2.558 172.375 174.900 0.056 0.000 1.155 143 G CA -1.072 44.061 45.100 0.054 0.000 0.917 143 G HN -0.344 8.013 8.290 0.113 0.000 0.493 144 L N 1.679 122.929 121.223 0.045 0.000 2.482 144 L HA 0.751 nan 4.340 nan 0.000 0.269 144 L C -2.545 174.363 176.870 0.063 0.000 0.967 144 L CA -0.359 54.514 54.840 0.055 0.000 0.851 144 L CB 3.637 45.727 42.059 0.052 0.000 1.242 144 L HN 0.264 8.515 8.230 0.035 0.000 0.404 145 L N 7.736 129.002 121.223 0.072 0.000 2.272 145 L HA 0.740 nan 4.340 nan 0.000 0.289 145 L C -2.114 174.804 176.870 0.080 0.000 1.032 145 L CA -1.342 53.538 54.840 0.066 0.000 0.810 145 L CB 3.100 45.193 42.059 0.056 0.000 1.205 145 L HN 0.959 9.237 8.230 0.080 0.000 0.422 146 I N 7.393 128.001 120.570 0.064 0.000 2.282 146 I HA 0.197 nan 4.170 nan 0.000 0.290 146 I C -1.324 174.810 176.117 0.028 0.000 1.090 146 I CA -1.935 59.399 61.300 0.057 0.000 1.231 146 I CB -2.157 35.829 38.000 -0.024 0.000 1.434 146 I HN 0.948 9.188 8.210 0.050 0.000 0.487 147 D N 6.799 127.233 120.400 0.058 0.000 2.402 147 D HA 0.080 nan 4.640 nan 0.000 0.216 147 D C -1.029 175.300 176.300 0.049 0.000 1.128 147 D CA -0.645 53.380 54.000 0.042 0.000 0.833 147 D CB 0.545 41.370 40.800 0.043 0.000 0.971 147 D HN -0.020 8.402 8.370 0.087 0.000 0.503 148 R N -3.627 116.920 120.500 0.078 0.000 2.668 148 R HA 0.247 nan 4.340 nan 0.000 0.272 148 R C -1.580 174.801 176.300 0.135 0.000 1.019 148 R CA -1.058 55.098 56.100 0.093 0.000 0.894 148 R CB 2.548 32.917 30.300 0.115 0.000 1.228 148 R HN -0.587 7.740 8.270 0.095 0.000 0.460 149 D N 1.068 121.536 120.400 0.113 0.000 2.455 149 D HA -0.065 nan 4.640 nan 0.000 0.241 149 D C -1.294 175.170 176.300 0.274 0.000 1.138 149 D CA 0.681 54.773 54.000 0.153 0.000 0.877 149 D CB 0.033 40.888 40.800 0.092 0.000 1.187 149 D HN -0.158 8.258 8.370 0.077 0.000 0.451 150 Y N 4.345 124.792 120.300 0.245 0.000 2.338 150 Y HA 0.159 nan 4.550 nan 0.000 0.333 150 Y C -2.392 173.706 175.900 0.330 0.000 0.968 150 Y CA -0.989 57.301 58.100 0.315 0.000 1.123 150 Y CB 3.573 42.317 38.460 0.473 0.000 1.165 150 Y HN 0.698 9.251 8.280 0.455 0.000 0.452 151 N N 8.467 127.031 118.700 -0.226 0.000 2.419 151 N HA 0.383 nan 4.740 nan 0.000 0.264 151 N C -1.198 174.139 175.510 -0.287 0.000 1.031 151 N CA 0.455 53.393 53.050 -0.186 0.000 0.951 151 N CB 1.280 39.659 38.487 -0.179 0.000 1.101 151 N HN 0.278 8.428 8.380 -0.383 0.000 0.488 152 F N 2.787 122.686 119.950 -0.086 0.000 2.523 152 F HA 0.473 nan 4.527 nan 0.000 0.329 152 F C -1.594 174.192 175.800 -0.024 0.000 1.061 152 F CA -2.100 55.859 58.000 -0.068 0.000 0.967 152 F CB 2.120 41.127 39.000 0.012 0.000 1.218 152 F HN 0.387 8.474 8.300 -0.354 0.000 0.480 153 Y N -2.278 118.119 120.300 0.162 0.000 2.376 153 Y HA 0.316 nan 4.550 nan 0.000 0.325 153 Y C -0.172 175.864 175.900 0.226 0.000 1.199 153 Y CA -2.222 55.916 58.100 0.062 0.000 1.206 153 Y CB 1.039 39.521 38.460 0.038 0.000 1.229 153 Y HN 0.076 8.521 8.280 -0.126 -0.240 0.480 154 G N 0.180 109.153 108.800 0.288 0.000 2.272 154 G HA2 -0.430 nan 3.960 nan 0.000 0.247 154 G HA3 -0.430 nan 3.960 nan 0.000 0.247 154 G C 0.016 175.055 174.900 0.231 0.000 1.272 154 G CA 0.264 45.511 45.100 0.245 0.000 0.921 154 G HN 0.418 8.839 8.290 0.219 0.000 0.495 155 G N 5.017 113.880 108.800 0.105 0.000 2.176 155 G HA2 -0.542 nan 3.960 nan 0.000 0.232 155 G HA3 -0.542 nan 3.960 nan 0.000 0.232 155 G C -0.886 173.995 174.900 -0.032 0.000 0.986 155 G CA -0.425 44.713 45.100 0.063 0.000 0.643 155 G HN 0.880 9.105 8.290 0.080 0.113 0.522 156 E N 1.416 121.436 120.200 -0.301 0.000 2.493 156 E HA -0.129 nan 4.350 nan 0.000 0.255 156 E C -1.380 175.078 176.600 -0.238 0.000 0.999 156 E CA 0.797 56.858 56.400 -0.564 0.000 0.934 156 E CB 1.055 30.243 29.700 -0.853 0.000 0.940 156 E HN -0.292 7.852 8.360 -0.262 0.059 0.473 157 T N 5.955 120.431 114.554 -0.128 0.000 2.797 157 T HA 0.548 nan 4.350 nan 0.000 0.279 157 T C -0.792 173.840 174.700 -0.114 0.000 0.991 157 T CA -0.789 61.263 62.100 -0.080 0.000 0.979 157 T CB 1.663 70.510 68.868 -0.035 0.000 0.943 157 T HN -0.102 8.086 8.240 -0.086 0.000 0.444 158 V N 6.758 126.588 119.914 -0.140 0.000 2.495 158 V HA 0.294 nan 4.120 nan 0.000 0.298 158 V C -1.908 173.939 176.094 -0.413 0.000 1.031 158 V CA -1.642 60.431 62.300 -0.378 0.000 0.871 158 V CB 2.141 33.577 31.823 -0.646 0.000 0.988 158 V HN 1.096 9.265 8.190 -0.035 0.000 0.432 159 D N 6.303 126.444 120.400 -0.432 0.000 2.392 159 D HA 0.300 nan 4.640 nan 0.000 0.228 159 D C -0.480 175.581 176.300 -0.399 0.000 1.074 159 D CA -1.635 52.203 54.000 -0.271 0.000 0.838 159 D CB 1.649 42.358 40.800 -0.152 0.000 1.067 159 D HN 0.316 8.844 8.370 -0.422 -0.411 0.511 160 F N 2.998 122.871 119.950 -0.128 0.000 2.692 160 F HA 0.039 nan 4.527 nan 0.000 0.303 160 F C 0.984 176.732 175.800 -0.087 0.000 1.114 160 F CA -0.133 57.785 58.000 -0.137 0.000 1.361 160 F CB 0.415 39.316 39.000 -0.165 0.000 1.063 160 F HN 0.178 8.550 8.300 0.121 0.000 0.550 161 G N -0.606 108.220 108.800 0.042 0.000 2.233 161 G HA2 -0.459 nan 3.960 nan 0.000 0.270 161 G HA3 -0.459 nan 3.960 nan 0.000 0.270 161 G C 0.624 175.548 174.900 0.040 0.000 1.011 161 G CA 0.669 45.783 45.100 0.024 0.000 0.762 161 G HN 0.331 8.879 8.290 0.002 -0.257 0.511 162 G N -1.550 107.289 108.800 0.064 0.000 2.155 162 G HA2 -0.411 nan 3.960 nan 0.000 0.257 162 G HA3 -0.411 nan 3.960 nan 0.000 0.257 162 G C -0.225 174.696 174.900 0.036 0.000 0.983 162 G CA 0.060 45.189 45.100 0.049 0.000 0.676 162 G HN 0.240 8.459 8.290 0.094 0.128 0.528 163 K N 0.371 120.798 120.400 0.046 0.000 2.237 163 K HA 0.084 nan 4.320 nan 0.000 0.270 163 K C -0.284 176.316 176.600 0.000 0.000 1.015 163 K CA -0.578 55.722 56.287 0.023 0.000 0.949 163 K CB 1.232 33.751 32.500 0.033 0.000 0.976 163 K HN -0.433 7.816 8.250 0.075 0.046 0.472 164 V N 3.392 123.299 119.914 -0.010 0.000 2.322 164 V HA 0.202 nan 4.120 nan 0.000 0.258 164 V C -0.428 175.646 176.094 -0.033 0.000 1.074 164 V CA -0.486 61.801 62.300 -0.021 0.000 0.909 164 V CB -1.495 30.321 31.823 -0.013 0.000 1.090 164 V HN 0.316 8.501 8.190 -0.009 0.000 0.486 165 L N 7.999 129.183 121.223 -0.065 0.000 2.322 165 L HA 0.553 nan 4.340 nan 0.000 0.269 165 L C -0.677 176.152 176.870 -0.068 0.000 1.012 165 L CA -1.419 53.380 54.840 -0.068 0.000 0.815 165 L CB 3.426 45.421 42.059 -0.108 0.000 1.295 165 L HN -0.066 8.109 8.230 -0.092 0.000 0.438 166 T N 3.511 118.041 114.554 -0.039 0.000 2.874 166 T HA 0.499 nan 4.350 nan 0.000 0.321 166 T C -0.889 173.801 174.700 -0.016 0.000 1.075 166 T CA -0.125 61.958 62.100 -0.029 0.000 0.966 166 T CB -0.493 68.366 68.868 -0.015 0.000 1.001 166 T HN 0.470 8.697 8.240 -0.021 0.000 0.476 167 I N 7.691 128.250 120.570 -0.018 0.000 2.304 167 I HA 0.322 nan 4.170 nan 0.000 0.291 167 I C -1.982 174.163 176.117 0.047 0.000 1.018 167 I CA -0.360 60.952 61.300 0.020 0.000 1.260 167 I CB 0.710 38.723 38.000 0.022 0.000 1.390 167 I HN 1.096 9.288 8.210 -0.029 0.000 0.475 168 E N 8.655 128.882 120.200 0.046 0.000 2.109 168 E HA 0.524 nan 4.350 nan 0.000 0.278 168 E C -1.536 175.088 176.600 0.041 0.000 0.954 168 E CA -1.817 54.607 56.400 0.040 0.000 0.779 168 E CB 2.172 31.889 29.700 0.029 0.000 1.093 168 E HN 0.537 8.925 8.360 0.047 0.000 0.401 169 C N 7.925 127.246 119.300 0.035 0.000 2.295 169 C HA 0.410 nan 4.460 nan 0.000 0.331 169 C C -0.285 174.699 174.990 -0.010 0.000 1.280 169 C CA -1.491 57.522 59.018 -0.009 0.000 1.746 169 C CB -0.745 26.972 27.740 -0.038 0.000 2.328 169 C HN 0.662 8.920 8.230 0.048 0.000 0.521 170 K N 5.036 125.419 120.400 -0.028 0.000 2.536 170 K HA 0.176 nan 4.320 nan 0.000 0.203 170 K C -1.406 175.165 176.600 -0.047 0.000 1.063 170 K CA -0.590 55.684 56.287 -0.023 0.000 1.063 170 K CB 1.210 33.706 32.500 -0.007 0.000 0.843 170 K HN 0.878 9.000 8.250 -0.036 0.106 0.521 171 A N -1.153 121.618 122.820 -0.080 0.000 2.568 171 A HA 0.309 nan 4.320 nan 0.000 0.291 171 A C -2.198 175.305 177.584 -0.134 0.000 1.159 171 A CA -0.837 51.146 52.037 -0.090 0.000 0.679 171 A CB 2.629 21.606 19.000 -0.038 0.000 1.285 171 A HN -0.672 7.352 8.150 -0.105 0.063 0.428 172 K N -2.853 117.504 120.400 -0.072 0.000 2.123 172 K HA 0.751 nan 4.320 nan 0.000 0.248 172 K C -0.694 175.978 176.600 0.121 0.000 0.969 172 K CA -1.597 54.711 56.287 0.036 0.000 0.882 172 K CB 1.988 34.565 32.500 0.129 0.000 1.080 172 K HN 0.104 8.672 8.250 -0.040 -0.342 0.441 173 F N 0.885 121.043 119.950 0.347 0.000 2.388 173 F HA 0.579 nan 4.527 nan 0.000 0.358 173 F C -1.157 174.917 175.800 0.456 0.000 1.122 173 F CA -2.205 56.054 58.000 0.432 0.000 1.056 173 F CB 0.803 39.995 39.000 0.319 0.000 1.155 173 F HN 0.353 8.864 8.300 0.352 0.000 0.461 174 I N 3.395 124.278 120.570 0.521 0.000 2.378 174 I HA 0.645 nan 4.170 nan 0.000 0.291 174 I C -1.395 174.527 176.117 -0.325 0.000 0.992 174 I CA -0.855 60.547 61.300 0.171 0.000 1.154 174 I CB 1.517 39.572 38.000 0.092 0.000 1.315 174 I HN 0.946 9.372 8.210 0.551 0.114 0.448 175 G N 6.606 115.106 108.800 -0.500 0.000 2.361 175 G HA2 0.022 nan 3.960 nan 0.000 0.299 175 G HA3 0.022 nan 3.960 nan 0.000 0.299 175 G C -2.975 171.632 174.900 -0.489 0.000 1.544 175 G CA 0.481 45.008 45.100 -0.955 0.000 0.860 175 G HN 0.762 8.965 8.290 -0.145 0.000 0.610 176 D N 1.851 122.070 120.400 -0.303 0.000 2.210 176 D HA 0.559 nan 4.640 nan 0.000 0.249 176 D C 0.583 176.882 176.300 -0.002 0.000 1.062 176 D CA -0.707 53.241 54.000 -0.086 0.000 0.891 176 D CB 1.268 42.035 40.800 -0.056 0.000 1.186 176 D HN 0.111 8.286 8.370 -0.325 0.000 0.432 177 G N 4.125 112.975 108.800 0.083 0.000 2.582 177 G HA2 -0.339 nan 3.960 nan 0.000 0.222 177 G HA3 -0.339 nan 3.960 nan 0.000 0.222 177 G C -2.368 172.659 174.900 0.211 0.000 1.311 177 G CA -0.466 44.711 45.100 0.129 0.000 0.915 177 G HN 0.601 8.926 8.290 0.059 0.000 0.528 178 N N 0.425 119.196 118.700 0.119 0.000 2.399 178 N HA 0.696 nan 4.740 nan 0.000 0.295 178 N C -1.561 173.810 175.510 -0.232 0.000 1.048 178 N CA -0.656 52.350 53.050 -0.073 0.000 0.886 178 N CB 1.764 40.179 38.487 -0.120 0.000 1.185 178 N HN 0.039 8.481 8.380 0.104 0.000 0.487 179 L N 4.737 125.569 121.223 -0.653 0.000 2.280 179 L HA 0.675 nan 4.340 nan 0.000 0.287 179 L C -2.030 174.502 176.870 -0.564 0.000 1.023 179 L CA -1.097 53.221 54.840 -0.870 0.000 0.819 179 L CB 2.023 43.160 42.059 -1.536 0.000 1.212 179 L HN 0.770 8.608 8.230 -0.654 0.000 0.420 180 I N 7.848 128.241 120.570 -0.294 0.000 2.321 180 I HA 0.455 nan 4.170 nan 0.000 0.291 180 I C -1.457 174.750 176.117 0.150 0.000 0.998 180 I CA -0.675 60.544 61.300 -0.135 0.000 1.227 180 I CB 0.996 38.942 38.000 -0.091 0.000 1.368 180 I HN 0.976 9.033 8.210 -0.254 0.000 0.466 181 F N 8.678 128.575 119.950 -0.089 0.000 2.404 181 F HA 0.767 nan 4.527 nan 0.000 0.354 181 F C -1.012 174.841 175.800 0.089 0.000 1.122 181 F CA -3.084 54.974 58.000 0.097 0.000 1.080 181 F CB 0.595 39.654 39.000 0.100 0.000 1.131 181 F HN 0.851 9.182 8.300 0.052 0.000 0.471 182 T N -1.017 113.713 114.554 0.293 0.000 2.916 182 T HA 0.530 nan 4.350 nan 0.000 0.292 182 T C -0.560 174.266 174.700 0.209 0.000 1.064 182 T CA -2.021 60.186 62.100 0.179 0.000 1.011 182 T CB 3.104 72.022 68.868 0.083 0.000 1.152 182 T HN 0.931 9.335 8.240 0.273 0.000 0.510 183 K N -1.076 119.409 120.400 0.142 0.000 3.148 183 K HA -0.466 nan 4.320 nan 0.000 0.267 183 K C -1.136 175.553 176.600 0.148 0.000 0.996 183 K CA 1.182 57.543 56.287 0.124 0.000 0.737 183 K CB -2.215 30.337 32.500 0.086 0.000 1.308 183 K HN 0.520 8.841 8.250 0.117 0.000 0.470 184 L N -1.756 119.534 121.223 0.111 0.000 2.312 184 L HA 0.253 nan 4.340 nan 0.000 0.281 184 L C 0.028 176.918 176.870 0.034 0.000 1.070 184 L CA -0.891 53.956 54.840 0.011 0.000 0.805 184 L CB 1.352 43.352 42.059 -0.098 0.000 1.174 184 L HN -0.977 7.323 8.230 0.117 0.000 0.434 185 G N 0.802 109.611 108.800 0.016 0.000 2.569 185 G HA2 -0.039 nan 3.960 nan 0.000 0.249 185 G HA3 -0.039 nan 3.960 nan 0.000 0.249 185 G C -1.778 173.142 174.900 0.032 0.000 1.216 185 G CA -1.151 43.965 45.100 0.027 0.000 0.845 185 G HN 0.391 8.587 8.290 -0.005 0.092 0.568 186 K N 2.209 122.635 120.400 0.042 0.000 2.472 186 K HA -0.435 nan 4.320 nan 0.000 0.280 186 K C 0.943 177.563 176.600 0.033 0.000 1.028 186 K CA 1.299 57.617 56.287 0.051 0.000 1.045 186 K CB -0.165 32.358 32.500 0.039 0.000 0.902 186 K HN 0.175 8.449 8.250 0.040 0.000 0.478 187 G N 5.767 114.594 108.800 0.045 0.000 2.201 187 G HA2 -0.327 nan 3.960 nan 0.000 0.212 187 G HA3 -0.327 nan 3.960 nan 0.000 0.212 187 G C -0.541 174.372 174.900 0.021 0.000 0.994 187 G CA -0.378 44.740 45.100 0.030 0.000 0.644 187 G HN 0.834 9.051 8.290 0.070 0.115 0.508 188 S N 2.823 118.534 115.700 0.019 0.000 2.572 188 S HA 0.120 nan 4.470 nan 0.000 0.279 188 S C -1.024 173.589 174.600 0.021 0.000 1.341 188 S CA 1.419 59.612 58.200 -0.011 0.000 1.043 188 S CB 0.582 63.748 63.200 -0.057 0.000 0.887 188 S HN -0.454 7.818 8.310 0.029 0.056 0.516 189 R N 1.694 122.191 120.500 -0.004 0.000 2.628 189 R HA 0.828 nan 4.340 nan 0.000 0.288 189 R C -1.720 174.594 176.300 0.023 0.000 0.980 189 R CA -0.815 55.296 56.100 0.018 0.000 0.891 189 R CB 3.889 34.145 30.300 -0.072 0.000 1.188 189 R HN 0.291 8.541 8.270 -0.034 0.000 0.450 190 I N 2.507 123.134 120.570 0.095 0.000 2.418 190 I HA 0.700 nan 4.170 nan 0.000 0.287 190 I C -2.320 173.877 176.117 0.133 0.000 1.008 190 I CA -1.263 60.109 61.300 0.121 0.000 1.104 190 I CB 2.608 40.720 38.000 0.187 0.000 1.264 190 I HN 0.697 9.001 8.210 0.156 0.000 0.438 191 A N 6.568 129.446 122.820 0.097 0.000 2.355 191 A HA 0.825 nan 4.320 nan 0.000 0.317 191 A C -0.374 177.266 177.584 0.095 0.000 1.094 191 A CA -1.828 50.268 52.037 0.097 0.000 0.764 191 A CB 2.364 21.388 19.000 0.040 0.000 1.230 191 A HN 0.933 9.131 8.150 0.081 0.000 0.448 192 G N 2.182 111.045 108.800 0.105 0.000 2.148 192 G HA2 -0.469 nan 3.960 nan 0.000 0.254 192 G HA3 -0.469 nan 3.960 nan 0.000 0.254 192 G C -0.639 174.338 174.900 0.129 0.000 0.981 192 G CA 0.728 45.891 45.100 0.106 0.000 0.670 192 G HN 0.360 8.719 8.290 0.116 0.000 0.528 193 V N -0.359 119.640 119.914 0.142 0.000 2.694 193 V HA -0.090 nan 4.120 nan 0.000 0.306 193 V C -1.899 174.352 176.094 0.261 0.000 1.054 193 V CA 0.629 63.033 62.300 0.173 0.000 1.161 193 V CB 0.860 32.846 31.823 0.272 0.000 0.916 193 V HN -0.329 7.891 8.190 0.138 0.053 0.490 194 F N 9.621 129.615 119.950 0.072 0.000 2.496 194 F HA 0.644 nan 4.527 nan 0.000 0.341 194 F C -2.152 173.744 175.800 0.160 0.000 1.134 194 F CA -1.931 56.145 58.000 0.127 0.000 0.968 194 F CB 3.083 42.119 39.000 0.060 0.000 1.205 194 F HN 0.105 8.501 8.300 0.160 0.000 0.436 195 M N 7.239 126.869 119.600 0.050 0.000 2.264 195 M HA 0.681 nan 4.480 nan 0.000 0.352 195 M C -1.946 174.391 176.300 0.061 0.000 1.173 195 M CA -1.593 53.776 55.300 0.114 0.000 1.075 195 M CB 0.874 33.414 32.600 -0.099 0.000 1.621 195 M HN 0.210 8.421 8.290 -0.132 0.000 0.457 196 E N 2.522 122.858 120.200 0.227 0.000 2.304 196 E HA 0.498 nan 4.350 nan 0.000 0.277 196 E C -1.405 175.270 176.600 0.126 0.000 0.898 196 E CA -1.386 55.130 56.400 0.194 0.000 0.764 196 E CB 4.003 33.909 29.700 0.344 0.000 1.216 196 E HN 0.259 8.810 8.360 0.320 0.000 0.419 197 S N 5.423 121.161 115.700 0.064 0.000 2.600 197 S HA 0.401 nan 4.470 nan 0.000 0.265 197 S C 1.385 175.977 174.600 -0.014 0.000 1.325 197 S CA 0.266 58.471 58.200 0.009 0.000 1.002 197 S CB 1.140 64.343 63.200 0.005 0.000 0.921 197 S HN -0.029 8.320 8.310 0.064 0.000 0.554 198 T N -3.222 111.297 114.554 -0.059 0.000 3.031 198 T HA 0.120 nan 4.350 nan 0.000 0.254 198 T C 1.234 175.908 174.700 -0.043 0.000 1.060 198 T CA 1.080 63.145 62.100 -0.058 0.000 1.135 198 T CB 0.273 69.086 68.868 -0.091 0.000 0.896 198 T HN 0.363 8.832 8.240 -0.084 -0.280 0.472 199 T N 6.419 120.949 114.554 -0.040 0.000 2.897 199 T HA 0.075 nan 4.350 nan 0.000 0.294 199 T C -0.788 173.885 174.700 -0.044 0.000 1.004 199 T CA 1.271 63.348 62.100 -0.037 0.000 1.106 199 T CB 0.833 69.688 68.868 -0.023 0.000 0.949 199 T HN -0.408 8.120 8.240 -0.041 -0.313 0.520 200 T N 6.632 121.140 114.554 -0.076 0.000 2.853 200 T HA 0.448 nan 4.350 nan 0.000 0.317 200 T C -1.602 172.996 174.700 -0.170 0.000 1.059 200 T CA -2.407 59.625 62.100 -0.114 0.000 0.954 200 T CB 0.538 69.319 68.868 -0.146 0.000 0.994 200 T HN 0.097 8.288 8.240 -0.082 0.000 0.479 201 P HA 0.455 nan 4.420 nan 0.000 0.284 201 P C -1.820 175.358 177.300 -0.204 0.000 1.292 201 P CA -1.401 61.637 63.100 -0.103 0.000 0.800 201 P CB 1.447 33.159 31.700 0.019 0.000 1.188 202 W N -2.260 119.032 121.300 -0.015 0.000 2.311 202 W HA 0.179 nan 4.660 nan 0.000 0.310 202 W C -0.148 176.342 176.519 -0.048 0.000 1.274 202 W CA 0.356 57.680 57.345 -0.034 0.000 1.215 202 W CB 0.600 30.043 29.460 -0.028 0.000 1.227 202 W HN -0.227 8.455 8.180 0.231 -0.363 0.523 203 V N -0.354 119.631 119.914 0.118 0.000 2.914 203 V HA 0.771 nan 4.120 nan 0.000 0.314 203 V C -1.695 174.350 176.094 -0.082 0.000 1.084 203 V CA -3.292 59.004 62.300 -0.007 0.000 0.963 203 V CB 3.108 34.897 31.823 -0.058 0.000 1.025 203 V HN 0.982 9.227 8.190 0.093 0.000 0.432 204 I N -3.869 116.555 120.570 -0.244 0.000 2.707 204 I HA 0.806 nan 4.170 nan 0.000 0.309 204 I C -1.862 174.023 176.117 -0.388 0.000 1.001 204 I CA -2.170 58.949 61.300 -0.303 0.000 1.129 204 I CB 2.694 40.488 38.000 -0.343 0.000 1.308 204 I HN 0.601 8.605 8.210 -0.344 0.000 0.466 205 K N 2.535 122.700 120.400 -0.392 0.000 2.701 205 K HA 0.452 nan 4.320 nan 0.000 0.212 205 K C -2.015 174.289 176.600 -0.494 0.000 1.035 205 K CA -2.880 53.026 56.287 -0.634 0.000 1.048 205 K CB 1.862 33.854 32.500 -0.846 0.000 1.234 205 K HN 0.331 8.377 8.250 -0.340 0.000 0.540 206 P HA 0.042 nan 4.420 nan 0.000 0.269 206 P C -2.140 175.464 177.300 0.506 0.000 1.601 206 P CA 0.040 63.272 63.100 0.220 0.000 0.831 206 P CB -1.817 30.132 31.700 0.415 0.000 1.688 207 W N -4.652 116.688 121.300 0.067 0.000 3.167 207 W HA 0.511 nan 4.660 nan 0.000 0.324 207 W C -1.775 174.721 176.519 -0.039 0.000 1.230 207 W CA -1.792 55.532 57.345 -0.035 0.000 1.184 207 W CB 1.156 30.448 29.460 -0.279 0.000 1.414 207 W HN -0.385 7.486 8.180 -0.373 0.086 0.551 208 T N -3.592 111.032 114.554 0.116 0.000 2.849 208 T HA 0.281 nan 4.350 nan 0.000 0.276 208 T C 0.832 175.566 174.700 0.057 0.000 0.971 208 T CA -1.806 60.308 62.100 0.024 0.000 0.949 208 T CB 1.830 70.725 68.868 0.045 0.000 1.093 208 T HN 0.714 8.957 8.240 0.188 0.111 0.545 209 D N -0.530 119.880 120.400 0.016 0.000 2.310 209 D HA -0.148 nan 4.640 nan 0.000 0.212 209 D C 0.158 176.483 176.300 0.042 0.000 0.965 209 D CA 2.775 56.792 54.000 0.028 0.000 0.879 209 D CB -0.248 40.554 40.800 0.005 0.000 0.921 209 D HN 0.379 8.746 8.370 -0.005 0.000 0.510 210 D N -2.583 117.841 120.400 0.041 0.000 2.363 210 D HA 0.113 nan 4.640 nan 0.000 0.214 210 D C -0.651 175.660 176.300 0.018 0.000 1.093 210 D CA -0.344 53.673 54.000 0.028 0.000 0.837 210 D CB 0.445 41.262 40.800 0.029 0.000 0.948 210 D HN -0.746 7.596 8.370 0.044 0.055 0.507 211 N N -0.214 118.510 118.700 0.040 0.000 2.754 211 N HA -0.381 nan 4.740 nan 0.000 0.248 211 N C -1.164 174.293 175.510 -0.087 0.000 1.093 211 N CA 1.268 54.289 53.050 -0.048 0.000 0.699 211 N CB -0.914 37.456 38.487 -0.195 0.000 1.016 211 N HN -0.052 8.176 8.380 0.093 0.208 0.552 212 Q N -2.386 117.429 119.800 0.025 0.000 2.230 212 Q HA 0.188 nan 4.340 nan 0.000 0.253 212 Q C -0.404 175.691 176.000 0.158 0.000 0.919 212 Q CA -1.330 54.522 55.803 0.082 0.000 0.908 212 Q CB 2.198 31.006 28.738 0.116 0.000 1.245 212 Q HN -0.308 7.981 8.270 0.065 0.020 0.437 213 W N 0.539 121.970 121.300 0.218 0.000 2.170 213 W HA 0.063 nan 4.660 nan 0.000 0.336 213 W C -0.037 176.620 176.519 0.229 0.000 1.283 213 W CA 0.091 57.600 57.345 0.274 0.000 1.224 213 W CB 0.728 30.351 29.460 0.272 0.000 1.132 213 W HN 0.235 8.664 8.180 0.414 0.000 0.571 214 L N 2.697 124.242 121.223 0.537 0.000 2.295 214 L HA 0.209 nan 4.340 nan 0.000 0.285 214 L C 0.364 177.471 176.870 0.396 0.000 1.035 214 L CA -0.097 54.933 54.840 0.317 0.000 0.806 214 L CB 0.954 43.101 42.059 0.146 0.000 1.214 214 L HN 0.422 8.944 8.230 0.664 0.107 0.426 215 T N -2.553 112.201 114.554 0.334 0.000 2.975 215 T HA 0.121 nan 4.350 nan 0.000 0.257 215 T C -0.056 174.838 174.700 0.324 0.000 1.003 215 T CA -0.364 61.983 62.100 0.411 0.000 0.932 215 T CB 0.382 69.454 68.868 0.341 0.000 1.087 215 T HN 0.265 8.659 8.240 0.257 0.000 0.512 216 D N 2.246 122.758 120.400 0.186 0.000 2.343 216 D HA 0.035 nan 4.640 nan 0.000 0.255 216 D C 0.619 176.957 176.300 0.064 0.000 1.187 216 D CA -1.102 52.967 54.000 0.114 0.000 0.875 216 D CB 1.180 42.023 40.800 0.072 0.000 1.136 216 D HN -0.440 8.030 8.370 0.167 0.000 0.469 217 A N 6.813 129.682 122.820 0.081 0.000 1.917 217 A HA -0.326 nan 4.320 nan 0.000 0.219 217 A C 1.226 178.792 177.584 -0.030 0.000 1.182 217 A CA 3.323 55.382 52.037 0.036 0.000 0.633 217 A CB -0.225 18.815 19.000 0.066 0.000 0.819 217 A HN 0.711 8.924 8.150 0.105 0.000 0.448 218 A N -2.948 119.861 122.820 -0.017 0.000 1.902 218 A HA -0.250 nan 4.320 nan 0.000 0.217 218 A C 1.748 179.302 177.584 -0.049 0.000 1.181 218 A CA 2.685 54.702 52.037 -0.034 0.000 0.623 218 A CB -0.723 18.265 19.000 -0.020 0.000 0.818 218 A HN -0.046 8.107 8.150 0.004 0.000 0.443 219 A N -1.927 120.868 122.820 -0.041 0.000 1.930 219 A HA -0.206 nan 4.320 nan 0.000 0.217 219 A C 1.896 179.420 177.584 -0.099 0.000 1.175 219 A CA 2.799 54.806 52.037 -0.050 0.000 0.627 219 A CB -0.402 18.588 19.000 -0.017 0.000 0.815 219 A HN -0.578 7.740 8.150 -0.020 -0.180 0.443 220 V N -2.018 117.804 119.914 -0.153 0.000 2.358 220 V HA -0.319 nan 4.120 nan 0.000 0.246 220 V C 1.946 177.922 176.094 -0.196 0.000 1.047 220 V CA 4.087 66.235 62.300 -0.253 0.000 1.035 220 V CB -0.559 30.954 31.823 -0.516 0.000 0.658 220 V HN -0.319 7.790 8.190 -0.135 0.000 0.452 221 V N -0.328 119.499 119.914 -0.145 0.000 2.407 221 V HA -0.414 nan 4.120 nan 0.000 0.248 221 V C 1.946 177.977 176.094 -0.106 0.000 1.055 221 V CA 4.381 66.611 62.300 -0.115 0.000 1.049 221 V CB -1.416 30.352 31.823 -0.092 0.000 0.662 221 V HN 0.182 8.294 8.190 -0.130 0.000 0.455 222 A N -1.196 121.566 122.820 -0.096 0.000 2.178 222 A HA -0.178 nan 4.320 nan 0.000 0.218 222 A C 0.998 178.531 177.584 -0.085 0.000 1.157 222 A CA 2.760 54.749 52.037 -0.080 0.000 0.689 222 A CB -0.446 18.514 19.000 -0.067 0.000 0.787 222 A HN -0.170 7.915 8.150 -0.094 0.008 0.465 223 T N -5.594 108.891 114.554 -0.116 0.000 3.129 223 T HA 0.013 nan 4.350 nan 0.000 0.251 223 T C 0.247 174.890 174.700 -0.095 0.000 1.117 223 T CA -0.514 61.504 62.100 -0.137 0.000 1.034 223 T CB -0.050 68.687 68.868 -0.218 0.000 0.968 223 T HN -0.430 7.550 8.240 -0.133 0.180 0.526 224 L N 3.274 124.469 121.223 -0.045 0.000 2.578 224 L HA -0.207 nan 4.340 nan 0.000 0.279 224 L C -0.618 176.379 176.870 0.212 0.000 1.227 224 L CA 1.370 56.254 54.840 0.073 0.000 0.900 224 L CB 0.027 42.100 42.059 0.024 0.000 1.144 224 L HN -0.642 7.485 8.230 -0.068 0.062 0.496 225 K N 4.422 124.979 120.400 0.262 0.000 2.579 225 K HA 0.375 nan 4.320 nan 0.000 0.284 225 K C -2.430 174.059 176.600 -0.185 0.000 0.990 225 K CA -1.442 54.906 56.287 0.101 0.000 0.880 225 K CB 2.766 35.244 32.500 -0.037 0.000 1.488 225 K HN 0.410 8.794 8.250 0.223 0.000 0.425 226 Q N 1.978 121.443 119.800 -0.558 0.000 2.303 226 Q HA 0.492 nan 4.340 nan 0.000 0.257 226 Q C -1.039 174.758 176.000 -0.338 0.000 0.941 226 Q CA 0.303 55.697 55.803 -0.682 0.000 0.931 226 Q CB 1.429 29.625 28.738 -0.904 0.000 1.215 226 Q HN 0.229 8.205 8.270 -0.491 0.000 0.437 227 S N 4.094 119.650 115.700 -0.240 0.000 2.578 227 S HA 0.154 nan 4.470 nan 0.000 0.272 227 S C -1.838 172.703 174.600 -0.098 0.000 1.145 227 S CA -0.483 57.629 58.200 -0.147 0.000 0.835 227 S CB 1.264 64.388 63.200 -0.127 0.000 1.104 227 S HN 0.232 8.396 8.310 -0.244 0.000 0.458 228 K N 0.809 121.177 120.400 -0.054 0.000 2.387 228 K HA 0.128 nan 4.320 nan 0.000 0.198 228 K C -1.909 174.696 176.600 0.010 0.000 1.022 228 K CA -0.211 56.070 56.287 -0.009 0.000 1.128 228 K CB 0.632 33.145 32.500 0.023 0.000 0.853 228 K HN 0.174 8.395 8.250 -0.049 0.000 0.523 229 T N -2.592 111.938 114.554 -0.041 0.000 2.653 229 T HA 0.123 nan 4.350 nan 0.000 0.306 229 T C -1.766 172.770 174.700 -0.275 0.000 1.426 229 T CA -0.350 61.691 62.100 -0.099 0.000 1.008 229 T CB 1.928 70.818 68.868 0.037 0.000 1.692 229 T HN -0.734 7.400 8.240 -0.067 0.067 0.483 230 D N 1.330 121.355 120.400 -0.625 0.000 2.689 230 D HA -0.370 nan 4.640 nan 0.000 0.237 230 D C -2.016 174.053 176.300 -0.384 0.000 1.148 230 D CA 1.138 54.816 54.000 -0.537 0.000 0.656 230 D CB -0.522 40.202 40.800 -0.127 0.000 1.050 230 D HN 0.506 8.397 8.370 -0.800 0.000 0.426 231 G N -5.558 102.981 108.800 -0.434 0.000 2.359 231 G HA2 0.111 nan 3.960 nan 0.000 0.293 231 G HA3 0.111 nan 3.960 nan 0.000 0.293 231 G C -3.127 171.851 174.900 0.130 0.000 1.300 231 G CA -0.189 44.880 45.100 -0.051 0.000 0.888 231 G HN -0.542 7.191 8.290 -0.928 0.000 0.541 232 Y N -5.340 115.030 120.300 0.117 0.000 2.597 232 Y HA 0.625 nan 4.550 nan 0.000 0.340 232 Y C -2.158 173.819 175.900 0.129 0.000 1.097 232 Y CA -2.387 55.798 58.100 0.142 0.000 1.037 232 Y CB 2.152 40.744 38.460 0.219 0.000 1.305 232 Y HN 0.185 8.293 8.280 -0.287 0.000 0.463 233 Q N 1.048 121.010 119.800 0.270 0.000 2.297 233 Q HA 0.247 nan 4.340 nan 0.000 0.267 233 Q C -1.924 174.234 176.000 0.264 0.000 1.006 233 Q CA -1.679 54.238 55.803 0.189 0.000 0.896 233 Q CB -0.125 28.718 28.738 0.176 0.000 1.186 233 Q HN 0.367 8.832 8.270 0.326 0.000 0.392 234 P HA 0.015 nan 4.420 nan 0.000 0.269 234 P C -1.633 175.765 177.300 0.163 0.000 1.209 234 P CA 0.243 63.469 63.100 0.210 0.000 0.776 234 P CB 0.361 32.165 31.700 0.173 0.000 0.876 235 T N -3.480 111.128 114.554 0.088 0.000 2.804 235 T HA 0.315 nan 4.350 nan 0.000 0.290 235 T C 1.337 175.741 174.700 -0.493 0.000 1.099 235 T CA -1.547 60.489 62.100 -0.107 0.000 1.011 235 T CB 2.881 71.729 68.868 -0.033 0.000 1.291 235 T HN -0.228 8.423 8.240 0.168 -0.310 0.523 236 V N -3.201 116.357 119.914 -0.594 0.000 2.568 236 V HA -0.212 nan 4.120 nan 0.000 0.253 236 V C 1.134 176.997 176.094 -0.385 0.000 1.072 236 V CA 2.522 64.333 62.300 -0.816 0.000 1.084 236 V CB -0.696 30.936 31.823 -0.318 0.000 0.676 236 V HN 0.351 8.332 8.190 -0.347 0.000 0.469 237 S N -1.001 114.592 115.700 -0.178 0.000 2.419 237 S HA -0.378 nan 4.470 nan 0.000 0.233 237 S C 1.825 176.598 174.600 0.288 0.000 1.016 237 S CA 2.945 61.167 58.200 0.037 0.000 0.974 237 S CB -0.363 62.738 63.200 -0.164 0.000 0.786 237 S HN -0.486 7.686 8.310 -0.188 0.026 0.492 238 D N 2.126 122.647 120.400 0.202 0.000 2.224 238 D HA -0.098 nan 4.640 nan 0.000 0.205 238 D C 1.979 178.521 176.300 0.404 0.000 0.965 238 D CA 3.009 57.231 54.000 0.370 0.000 0.852 238 D CB -0.216 40.885 40.800 0.501 0.000 0.947 238 D HN -0.232 8.051 8.370 0.058 0.122 0.494 239 Y N -1.539 118.870 120.300 0.183 0.000 2.274 239 Y HA -0.262 nan 4.550 nan 0.000 0.290 239 Y C 2.082 178.019 175.900 0.062 0.000 1.145 239 Y CA 1.009 59.179 58.100 0.117 0.000 1.203 239 Y CB -0.935 37.576 38.460 0.085 0.000 0.984 239 Y HN -0.519 7.625 8.280 0.022 0.150 0.533 240 V N -2.493 117.550 119.914 0.214 0.000 2.446 240 V HA -0.281 nan 4.120 nan 0.000 0.244 240 V C 1.710 177.708 176.094 -0.160 0.000 1.039 240 V CA 2.872 65.214 62.300 0.071 0.000 1.045 240 V CB -0.361 31.569 31.823 0.178 0.000 0.681 240 V HN -0.782 7.435 8.190 0.243 0.119 0.459 241 K N 0.606 120.836 120.400 -0.283 0.000 2.057 241 K HA -0.157 nan 4.320 nan 0.000 0.206 241 K C 0.416 176.497 176.600 -0.865 0.000 1.050 241 K CA 1.888 57.686 56.287 -0.815 0.000 0.935 241 K CB 0.790 32.653 32.500 -1.061 0.000 0.715 241 K HN -0.517 7.705 8.250 -0.047 0.000 0.439 242 F N -0.761 119.162 119.950 -0.045 0.000 2.366 242 F HA 0.423 nan 4.527 nan 0.000 0.357 242 F C -2.324 173.476 175.800 -0.001 0.000 1.107 242 F CA -3.798 54.189 58.000 -0.022 0.000 1.208 242 F CB -0.503 38.522 39.000 0.041 0.000 1.464 242 F HN -0.076 8.185 8.300 -0.065 0.000 0.501 243 P HA -0.195 nan 4.420 nan 0.000 0.258 243 P C 0.194 177.523 177.300 0.048 0.000 1.172 243 P CA 0.675 63.795 63.100 0.034 0.000 0.762 243 P CB -0.472 31.214 31.700 -0.024 0.000 0.764 244 G N 3.326 112.142 108.800 0.027 0.000 2.195 244 G HA2 -0.390 nan 3.960 nan 0.000 0.224 244 G HA3 -0.390 nan 3.960 nan 0.000 0.224 244 G C 0.380 175.272 174.900 -0.013 0.000 0.990 244 G CA 0.224 45.322 45.100 -0.004 0.000 0.639 244 G HN 0.332 8.636 8.290 0.024 0.000 0.514 245 I N 1.439 122.032 120.570 0.038 0.000 2.493 245 I HA -0.418 nan 4.170 nan 0.000 0.254 245 I C -0.092 175.977 176.117 -0.081 0.000 1.160 245 I CA 2.771 64.091 61.300 0.035 0.000 1.445 245 I CB 0.009 38.112 38.000 0.170 0.000 1.086 245 I HN -0.192 8.018 8.210 0.100 0.060 0.433 246 E N -0.852 119.198 120.200 -0.249 0.000 2.085 246 E HA -0.478 nan 4.350 nan 0.000 0.194 246 E C 1.064 177.474 176.600 -0.318 0.000 0.994 246 E CA 3.508 59.544 56.400 -0.606 0.000 0.801 246 E CB -0.256 28.926 29.700 -0.864 0.000 0.743 246 E HN 0.460 8.693 8.360 -0.169 0.025 0.453 247 T N -5.026 109.411 114.554 -0.194 0.000 3.067 247 T HA -0.058 nan 4.350 nan 0.000 0.261 247 T C 1.418 176.058 174.700 -0.100 0.000 1.110 247 T CA 2.034 64.056 62.100 -0.130 0.000 1.113 247 T CB -0.561 68.250 68.868 -0.095 0.000 0.917 247 T HN -0.614 7.527 8.240 -0.166 0.000 0.499 248 L N -0.737 120.432 121.223 -0.091 0.000 2.307 248 L HA 0.028 nan 4.340 nan 0.000 0.211 248 L C 0.980 177.799 176.870 -0.086 0.000 1.099 248 L CA 1.076 55.871 54.840 -0.075 0.000 0.816 248 L CB 0.556 42.581 42.059 -0.058 0.000 0.952 248 L HN -0.607 7.422 8.230 -0.095 0.144 0.455 249 L N -0.137 121.035 121.223 -0.085 0.000 2.490 249 L HA 0.066 nan 4.340 nan 0.000 0.274 249 L C -1.329 175.474 176.870 -0.111 0.000 1.201 249 L CA -1.296 53.492 54.840 -0.087 0.000 0.869 249 L CB -0.474 41.563 42.059 -0.036 0.000 1.123 249 L HN -0.377 7.800 8.230 -0.088 0.000 0.484 250 P HA 0.216 nan 4.420 nan 0.000 0.271 250 P C -0.712 176.496 177.300 -0.154 0.000 1.218 250 P CA -1.862 61.132 63.100 -0.177 0.000 0.780 250 P CB -0.530 31.007 31.700 -0.272 0.000 0.901 251 P HA -0.210 nan 4.420 nan 0.000 0.217 251 P C 0.897 178.153 177.300 -0.075 0.000 1.148 251 P CA 2.855 65.910 63.100 -0.075 0.000 0.828 251 P CB -0.204 31.463 31.700 -0.055 0.000 0.783 252 N N -2.556 116.061 118.700 -0.138 0.000 2.515 252 N HA -0.140 nan 4.740 nan 0.000 0.185 252 N C 0.078 175.515 175.510 -0.122 0.000 1.109 252 N CA 1.118 54.102 53.050 -0.110 0.000 0.903 252 N CB -1.865 36.551 38.487 -0.118 0.000 0.969 252 N HN 0.181 8.431 8.380 -0.187 0.018 0.450 253 A N -1.868 120.842 122.820 -0.183 0.000 2.390 253 A HA 0.184 nan 4.320 nan 0.000 0.232 253 A C -0.542 177.069 177.584 0.046 0.000 1.233 253 A CA -0.350 51.643 52.037 -0.074 0.000 0.907 253 A CB 0.768 19.658 19.000 -0.184 0.000 0.967 253 A HN -0.256 7.604 8.150 -0.199 0.170 0.512 254 K N -0.489 119.937 120.400 0.044 0.000 2.138 254 K HA 0.101 nan 4.320 nan 0.000 0.263 254 K C 0.991 177.655 176.600 0.108 0.000 0.965 254 K CA -0.438 55.913 56.287 0.107 0.000 0.868 254 K CB 0.787 33.344 32.500 0.096 0.000 1.083 254 K HN -0.779 7.304 8.250 0.004 0.169 0.443 255 G N 3.454 112.332 108.800 0.129 0.000 2.225 255 G HA2 -0.473 nan 3.960 nan 0.000 0.267 255 G HA3 -0.473 nan 3.960 nan 0.000 0.267 255 G C -0.427 174.523 174.900 0.083 0.000 1.024 255 G CA 0.465 45.623 45.100 0.097 0.000 0.784 255 G HN 0.647 9.036 8.290 0.165 0.000 0.507 256 Q N -1.026 118.832 119.800 0.097 0.000 2.394 256 Q HA -0.099 nan 4.340 nan 0.000 0.248 256 Q C -0.876 175.170 176.000 0.076 0.000 0.992 256 Q CA 0.208 56.067 55.803 0.093 0.000 0.888 256 Q CB 1.144 29.953 28.738 0.120 0.000 1.257 256 Q HN -0.201 8.109 8.270 0.110 0.026 0.462 257 N N 1.216 119.953 118.700 0.063 0.000 2.636 257 N HA 0.147 nan 4.740 nan 0.000 0.287 257 N C -1.763 173.771 175.510 0.040 0.000 1.817 257 N CA -0.103 52.976 53.050 0.049 0.000 0.842 257 N CB 0.954 39.463 38.487 0.038 0.000 1.353 257 N HN 0.231 8.648 8.380 0.061 0.000 0.500 258 I N 3.091 123.688 120.570 0.046 0.000 2.325 258 I HA 0.178 nan 4.170 nan 0.000 0.291 258 I C -1.398 174.735 176.117 0.028 0.000 1.019 258 I CA -1.259 60.060 61.300 0.033 0.000 1.302 258 I CB -0.849 37.170 38.000 0.031 0.000 1.401 258 I HN 0.057 8.650 8.210 0.060 -0.347 0.485 259 T N 8.934 123.496 114.554 0.013 0.000 3.105 259 T HA 0.215 nan 4.350 nan 0.000 0.321 259 T C -2.104 172.595 174.700 -0.003 0.000 1.135 259 T CA 0.046 62.142 62.100 -0.006 0.000 1.053 259 T CB 3.453 72.305 68.868 -0.027 0.000 1.133 259 T HN 0.343 8.591 8.240 0.013 0.000 0.463 260 S N 4.495 120.190 115.700 -0.010 0.000 2.415 260 S HA 0.467 nan 4.470 nan 0.000 0.313 260 S C -1.141 173.405 174.600 -0.089 0.000 1.067 260 S CA -1.418 56.823 58.200 0.069 0.000 1.099 260 S CB 0.781 64.044 63.200 0.106 0.000 0.991 260 S HN 0.848 9.138 8.310 -0.032 0.000 0.491 261 T N 9.504 123.991 114.554 -0.112 0.000 2.794 261 T HA 0.470 nan 4.350 nan 0.000 0.280 261 T C -2.039 172.393 174.700 -0.447 0.000 0.987 261 T CA -0.440 61.467 62.100 -0.322 0.000 0.993 261 T CB 1.747 70.470 68.868 -0.243 0.000 0.939 261 T HN 0.814 9.065 8.240 0.019 0.000 0.449 262 L N 6.461 127.331 121.223 -0.587 0.000 2.261 262 L HA 0.524 nan 4.340 nan 0.000 0.289 262 L C -2.395 174.150 176.870 -0.541 0.000 1.059 262 L CA -0.925 53.550 54.840 -0.610 0.000 0.816 262 L CB 1.774 43.546 42.059 -0.478 0.000 1.191 262 L HN 0.568 8.349 8.230 -0.748 0.000 0.431 263 E N 8.507 128.402 120.200 -0.509 0.000 2.133 263 E HA 0.651 nan 4.350 nan 0.000 0.274 263 E C -1.685 174.705 176.600 -0.351 0.000 0.930 263 E CA -1.738 54.423 56.400 -0.397 0.000 0.770 263 E CB 2.546 32.078 29.700 -0.279 0.000 1.104 263 E HN 0.877 8.902 8.360 -0.559 0.000 0.403 264 I N 7.473 127.814 120.570 -0.383 0.000 2.312 264 I HA 0.480 nan 4.170 nan 0.000 0.290 264 I C -1.885 174.178 176.117 -0.090 0.000 1.008 264 I CA -1.584 59.593 61.300 -0.205 0.000 1.226 264 I CB -0.451 37.369 38.000 -0.300 0.000 1.371 264 I HN 0.998 8.895 8.210 -0.521 0.000 0.468 265 R N 7.014 127.512 120.500 -0.002 0.000 2.387 265 R HA 0.283 nan 4.340 nan 0.000 0.314 265 R C -0.797 175.538 176.300 0.058 0.000 0.958 265 R CA -1.450 54.657 56.100 0.012 0.000 0.846 265 R CB 2.185 32.482 30.300 -0.005 0.000 1.147 265 R HN 0.426 8.722 8.270 0.042 0.000 0.447 266 E N 3.047 123.286 120.200 0.064 0.000 2.269 266 E HA -0.447 nan 4.350 nan 0.000 0.223 266 E C -1.075 175.601 176.600 0.128 0.000 1.244 266 E CA 1.288 57.744 56.400 0.094 0.000 0.713 266 E CB -2.103 27.643 29.700 0.076 0.000 1.178 266 E HN 0.368 8.648 8.360 0.045 0.107 0.370 267 C N -2.962 116.429 119.300 0.152 0.000 2.486 267 C HA 0.563 nan 4.460 nan 0.000 0.348 267 C C -1.256 173.866 174.990 0.220 0.000 1.203 267 C CA -1.609 57.511 59.018 0.171 0.000 1.911 267 C CB 3.302 31.141 27.740 0.165 0.000 2.340 267 C HN -0.755 7.566 8.230 0.153 0.000 0.511 268 I N 0.145 120.846 120.570 0.218 0.000 2.533 268 I HA 0.178 nan 4.170 nan 0.000 0.290 268 I C -0.383 175.875 176.117 0.235 0.000 1.056 268 I CA -0.685 60.783 61.300 0.280 0.000 1.057 268 I CB 3.169 41.337 38.000 0.280 0.000 1.240 268 I HN 0.637 8.953 8.210 0.177 0.000 0.423 269 G N 5.699 114.671 108.800 0.286 0.000 2.295 269 G HA2 -0.358 nan 3.960 nan 0.000 0.287 269 G HA3 -0.358 nan 3.960 nan 0.000 0.287 269 G C -1.366 173.642 174.900 0.180 0.000 1.055 269 G CA 0.572 45.803 45.100 0.218 0.000 0.922 269 G HN 0.188 8.702 8.290 0.373 0.000 0.503 270 V N 0.042 120.086 119.914 0.217 0.000 2.459 270 V HA 0.459 nan 4.120 nan 0.000 0.295 270 V C -1.239 175.015 176.094 0.267 0.000 1.029 270 V CA -1.270 61.158 62.300 0.213 0.000 0.874 270 V CB 1.493 33.451 31.823 0.225 0.000 0.985 270 V HN -0.862 7.480 8.190 0.253 0.000 0.438 271 E N 5.732 126.084 120.200 0.253 0.000 2.212 271 E HA 0.723 nan 4.350 nan 0.000 0.268 271 E C -1.725 175.094 176.600 0.366 0.000 0.902 271 E CA -1.660 54.923 56.400 0.305 0.000 0.779 271 E CB 3.775 33.698 29.700 0.370 0.000 1.172 271 E HN 0.107 8.590 8.360 0.204 0.000 0.409 272 V N 3.221 123.331 119.914 0.327 0.000 2.357 272 V HA 0.555 nan 4.120 nan 0.000 0.284 272 V C -1.396 174.794 176.094 0.159 0.000 1.018 272 V CA -1.011 61.448 62.300 0.264 0.000 0.841 272 V CB 0.959 32.920 31.823 0.229 0.000 0.991 272 V HN 0.780 9.127 8.190 0.260 0.000 0.437 273 H N 6.959 126.054 119.070 0.043 0.000 2.495 273 H HA 0.666 nan 4.556 nan 0.000 0.348 273 H C 0.056 175.390 175.328 0.010 0.000 1.113 273 H CA -1.909 54.153 56.048 0.024 0.000 1.195 273 H CB 3.296 33.079 29.762 0.035 0.000 1.521 273 H HN 1.009 9.490 8.280 0.336 0.000 0.509 274 R N -0.399 120.154 120.500 0.088 0.000 3.516 274 R HA -0.509 nan 4.340 nan 0.000 0.271 274 R C -1.532 174.790 176.300 0.037 0.000 1.098 274 R CA 0.820 56.959 56.100 0.064 0.000 0.732 274 R CB -2.548 27.811 30.300 0.099 0.000 1.152 274 R HN 0.312 8.606 8.270 0.040 0.000 0.455 275 A N -2.914 119.868 122.820 -0.062 0.000 2.407 275 A HA 0.251 nan 4.320 nan 0.000 0.248 275 A C -1.318 176.223 177.584 -0.072 0.000 1.082 275 A CA 0.151 52.112 52.037 -0.127 0.000 0.785 275 A CB 1.680 20.336 19.000 -0.574 0.000 1.020 275 A HN -0.238 7.832 8.150 -0.108 0.016 0.489 276 S N 0.651 116.376 115.700 0.041 0.000 2.819 276 S HA 0.430 nan 4.470 nan 0.000 0.299 276 S C -1.609 172.790 174.600 -0.336 0.000 1.192 276 S CA -1.368 56.817 58.200 -0.026 0.000 0.847 276 S CB 1.947 65.202 63.200 0.092 0.000 1.224 276 S HN 0.705 9.085 8.310 0.117 0.000 0.537 277 G N -1.304 107.007 108.800 -0.816 0.000 2.356 277 G HA2 0.164 nan 3.960 nan 0.000 0.300 277 G HA3 0.164 nan 3.960 nan 0.000 0.300 277 G C -3.081 171.524 174.900 -0.492 0.000 1.331 277 G CA 0.090 44.449 45.100 -1.236 0.000 0.905 277 G HN -0.239 7.751 8.290 -0.500 0.000 0.587 278 L N -0.066 121.010 121.223 -0.246 0.000 2.406 278 L HA 0.690 nan 4.340 nan 0.000 0.272 278 L C -0.220 176.661 176.870 0.020 0.000 0.980 278 L CA -1.163 53.684 54.840 0.012 0.000 0.831 278 L CB 2.578 44.719 42.059 0.137 0.000 1.253 278 L HN 0.631 8.687 8.230 -0.289 0.000 0.406 279 M N -1.344 118.284 119.600 0.047 0.000 2.537 279 M HA -0.478 nan 4.480 nan 0.000 0.205 279 M C -1.393 174.900 176.300 -0.010 0.000 0.450 279 M CA 0.629 55.954 55.300 0.041 0.000 0.553 279 M CB -2.955 29.667 32.600 0.036 0.000 2.046 279 M HN 0.306 8.645 8.290 0.081 0.000 0.797 280 A N -2.298 120.498 122.820 -0.040 0.000 2.304 280 A HA 0.732 nan 4.320 nan 0.000 0.301 280 A C -1.089 176.357 177.584 -0.230 0.000 1.132 280 A CA -0.829 51.105 52.037 -0.172 0.000 0.819 280 A CB 1.786 20.685 19.000 -0.169 0.000 1.094 280 A HN -0.036 8.109 8.150 0.005 0.008 0.492 281 G N -0.761 107.722 108.800 -0.528 0.000 2.659 281 G HA2 0.812 nan 3.960 nan 0.000 0.296 281 G HA3 0.812 nan 3.960 nan 0.000 0.296 281 G C -2.843 171.493 174.900 -0.939 0.000 1.369 281 G CA -0.450 44.375 45.100 -0.458 0.000 0.937 281 G HN 0.092 7.991 8.290 -0.651 0.000 0.485 282 F N 0.254 120.109 119.950 -0.159 0.000 2.553 282 F HA 0.631 nan 4.527 nan 0.000 0.335 282 F C -2.068 173.538 175.800 -0.323 0.000 1.148 282 F CA -1.273 56.571 58.000 -0.259 0.000 0.963 282 F CB 3.522 42.416 39.000 -0.177 0.000 1.217 282 F HN 0.871 9.048 8.300 -0.035 0.102 0.441 283 L N 3.006 124.024 121.223 -0.341 0.000 2.325 283 L HA 0.786 nan 4.340 nan 0.000 0.281 283 L C -2.396 174.191 176.870 -0.471 0.000 1.004 283 L CA -1.271 53.371 54.840 -0.330 0.000 0.823 283 L CB 3.259 45.160 42.059 -0.263 0.000 1.236 283 L HN 0.759 8.739 8.230 -0.418 0.000 0.415 284 F N 7.370 127.113 119.950 -0.345 0.000 2.334 284 F HA 0.563 nan 4.527 nan 0.000 0.367 284 F C -1.799 173.904 175.800 -0.163 0.000 1.115 284 F CA -1.327 56.532 58.000 -0.234 0.000 1.116 284 F CB 0.877 39.707 39.000 -0.283 0.000 1.230 284 F HN 1.000 9.237 8.300 -0.106 0.000 0.484 285 R N 4.582 125.073 120.500 -0.014 0.000 2.265 285 R HA 0.448 nan 4.340 nan 0.000 0.328 285 R C 0.228 176.519 176.300 -0.016 0.000 0.969 285 R CA -1.259 54.816 56.100 -0.042 0.000 0.832 285 R CB 1.281 31.534 30.300 -0.079 0.000 1.139 285 R HN 0.726 8.968 8.270 -0.047 0.000 0.457 286 G N 6.222 114.996 108.800 -0.044 0.000 2.198 286 G HA2 -0.507 nan 3.960 nan 0.000 0.260 286 G HA3 -0.507 nan 3.960 nan 0.000 0.260 286 G C -1.301 173.554 174.900 -0.075 0.000 1.025 286 G CA 0.622 45.690 45.100 -0.053 0.000 0.769 286 G HN 0.587 8.841 8.290 -0.061 0.000 0.507 287 C N -1.667 117.574 119.300 -0.097 0.000 2.335 287 C HA 0.453 nan 4.460 nan 0.000 0.363 287 C C -0.832 173.911 174.990 -0.411 0.000 1.198 287 C CA -0.622 58.370 59.018 -0.043 0.000 2.279 287 C CB 1.820 29.691 27.740 0.219 0.000 2.334 287 C HN -0.186 7.998 8.230 -0.042 0.021 0.559 288 H N -2.792 116.312 119.070 0.058 0.000 2.894 288 H HA 0.281 nan 4.556 nan 0.000 0.367 288 H C -0.163 175.139 175.328 -0.043 0.000 1.144 288 H CA -1.055 54.894 56.048 -0.165 0.000 1.180 288 H CB 3.463 33.127 29.762 -0.163 0.000 1.758 288 H HN -0.059 8.332 8.280 0.184 0.000 0.541 289 F N -2.372 117.654 119.950 0.127 0.000 3.091 289 F HA -0.493 nan 4.527 nan 0.000 0.288 289 F C -0.938 174.918 175.800 0.092 0.000 0.907 289 F CA 1.136 59.196 58.000 0.100 0.000 1.028 289 F CB -2.249 36.817 39.000 0.110 0.000 1.022 289 F HN 0.483 8.217 8.300 -0.765 0.107 0.665 290 C N -0.908 118.453 119.300 0.101 0.000 2.454 290 C HA 0.594 nan 4.460 nan 0.000 0.336 290 C C -1.416 173.565 174.990 -0.015 0.000 1.189 290 C CA -1.679 57.402 59.018 0.106 0.000 1.877 290 C CB 3.596 31.438 27.740 0.170 0.000 2.348 290 C HN -0.173 8.009 8.230 -0.050 0.017 0.508 291 K N -0.618 119.799 120.400 0.028 0.000 2.464 291 K HA 0.736 nan 4.320 nan 0.000 0.253 291 K C -2.287 174.312 176.600 -0.003 0.000 0.933 291 K CA -1.212 55.083 56.287 0.012 0.000 0.801 291 K CB 4.044 36.553 32.500 0.015 0.000 1.271 291 K HN 0.186 8.502 8.250 0.111 0.000 0.430 292 M N 3.809 123.409 119.600 -0.000 0.000 2.047 292 M HA 0.486 nan 4.480 nan 0.000 0.342 292 M C -2.248 173.998 176.300 -0.090 0.000 1.058 292 M CA -1.505 53.784 55.300 -0.018 0.000 0.991 292 M CB 1.195 33.783 32.600 -0.021 0.000 1.474 292 M HN 0.681 9.005 8.290 0.056 0.000 0.419 293 V N 7.608 127.392 119.914 -0.215 0.000 2.459 293 V HA 0.512 nan 4.120 nan 0.000 0.295 293 V C -0.681 175.309 176.094 -0.173 0.000 1.029 293 V CA -1.223 60.908 62.300 -0.281 0.000 0.874 293 V CB 1.145 32.566 31.823 -0.670 0.000 0.985 293 V HN 1.101 9.146 8.190 -0.241 0.000 0.438 294 D N 4.062 124.432 120.400 -0.050 0.000 2.689 294 D HA -0.439 nan 4.640 nan 0.000 0.237 294 D C -1.113 175.199 176.300 0.020 0.000 1.148 294 D CA 1.115 55.124 54.000 0.015 0.000 0.656 294 D CB -1.935 38.881 40.800 0.028 0.000 1.050 294 D HN 0.557 8.910 8.370 -0.028 0.000 0.426 295 A N -2.959 119.874 122.820 0.023 0.000 2.561 295 A HA -0.255 nan 4.320 nan 0.000 0.251 295 A C -0.284 177.320 177.584 0.034 0.000 1.062 295 A CA 0.706 52.739 52.037 -0.007 0.000 0.761 295 A CB 0.526 19.546 19.000 0.033 0.000 0.986 295 A HN -0.090 8.089 8.150 0.048 0.000 0.510 296 N N 5.630 124.343 118.700 0.022 0.000 3.303 296 N HA -0.121 nan 4.740 nan 0.000 0.304 296 N C -0.994 174.554 175.510 0.063 0.000 1.302 296 N CA -2.491 50.591 53.050 0.052 0.000 1.213 296 N CB -0.955 37.576 38.487 0.073 0.000 1.481 296 N HN 0.114 8.394 8.380 -0.008 0.096 0.546 297 N N -1.133 117.602 118.700 0.058 0.000 2.714 297 N HA -0.320 nan 4.740 nan 0.000 0.253 297 N C -2.158 173.406 175.510 0.089 0.000 1.024 297 N CA -0.294 52.794 53.050 0.065 0.000 0.726 297 N CB -0.259 38.259 38.487 0.052 0.000 0.908 297 N HN -0.307 8.028 8.380 0.055 0.078 0.542 298 P HA 0.013 nan 4.420 nan 0.000 0.271 298 P C -1.590 175.799 177.300 0.149 0.000 1.218 298 P CA -0.327 62.837 63.100 0.107 0.000 0.780 298 P CB 0.707 32.532 31.700 0.210 0.000 0.901 299 S N 1.074 116.866 115.700 0.154 0.000 2.438 299 S HA 0.382 nan 4.470 nan 0.000 0.293 299 S C 0.300 175.023 174.600 0.206 0.000 1.141 299 S CA -1.513 56.843 58.200 0.260 0.000 1.080 299 S CB 0.990 64.375 63.200 0.308 0.000 0.978 299 S HN 0.278 8.640 8.310 0.087 0.000 0.479 300 G N 6.421 115.361 108.800 0.234 0.000 2.636 300 G HA2 0.135 nan 3.960 nan 0.000 0.246 300 G HA3 0.135 nan 3.960 nan 0.000 0.246 300 G C -1.229 173.758 174.900 0.145 0.000 1.216 300 G CA -0.616 44.587 45.100 0.170 0.000 0.854 300 G HN 0.142 8.601 8.290 0.282 0.000 0.572 301 G N -1.768 107.085 108.800 0.089 0.000 2.849 301 G HA2 0.347 nan 3.960 nan 0.000 0.174 301 G HA3 0.347 nan 3.960 nan 0.000 0.174 301 G C -0.558 174.398 174.900 0.092 0.000 1.370 301 G CA -0.757 44.389 45.100 0.076 0.000 1.040 301 G HN -0.665 7.663 8.290 0.063 0.000 0.582 302 K N 0.346 120.789 120.400 0.071 0.000 2.062 302 K HA -0.086 nan 4.320 nan 0.000 0.205 302 K C -0.037 176.593 176.600 0.050 0.000 1.051 302 K CA 1.566 57.899 56.287 0.077 0.000 0.941 302 K CB 0.368 32.908 32.500 0.066 0.000 0.719 302 K HN -0.342 7.940 8.250 0.052 0.000 0.440 303 D N -1.408 119.007 120.400 0.025 0.000 2.398 303 D HA 0.059 nan 4.640 nan 0.000 0.247 303 D C -0.074 176.239 176.300 0.022 0.000 1.227 303 D CA 0.133 54.142 54.000 0.014 0.000 0.980 303 D CB 0.668 41.456 40.800 -0.020 0.000 1.106 303 D HN -0.569 7.811 8.370 0.016 0.000 0.493 304 G N -2.076 106.742 108.800 0.030 0.000 2.484 304 G HA2 -0.002 nan 3.960 nan 0.000 0.235 304 G HA3 -0.002 nan 3.960 nan 0.000 0.235 304 G C 0.514 175.433 174.900 0.033 0.000 1.282 304 G CA 0.032 45.159 45.100 0.044 0.000 0.857 304 G HN 0.126 8.438 8.290 0.035 0.000 0.571 305 I N 2.921 123.534 120.570 0.073 0.000 2.233 305 I HA -0.312 nan 4.170 nan 0.000 0.243 305 I C -0.057 176.147 176.117 0.144 0.000 1.093 305 I CA 3.395 64.770 61.300 0.124 0.000 1.380 305 I CB 0.614 38.727 38.000 0.188 0.000 1.067 305 I HN -0.185 8.074 8.210 0.083 0.000 0.413 306 I N -2.588 118.018 120.570 0.059 0.000 2.410 306 I HA 0.220 nan 4.170 nan 0.000 0.286 306 I C -1.853 174.149 176.117 -0.191 0.000 1.009 306 I CA -0.840 60.437 61.300 -0.039 0.000 1.111 306 I CB 1.768 39.708 38.000 -0.101 0.000 1.262 306 I HN -0.234 8.004 8.210 0.048 0.000 0.443 307 T N 8.532 122.927 114.554 -0.264 0.000 2.848 307 T HA 0.702 nan 4.350 nan 0.000 0.285 307 T C -1.663 172.751 174.700 -0.476 0.000 0.995 307 T CA -0.874 61.034 62.100 -0.320 0.000 0.970 307 T CB 1.977 70.716 68.868 -0.214 0.000 0.976 307 T HN 0.737 8.857 8.240 -0.199 0.000 0.441 308 F N 5.371 125.115 119.950 -0.342 0.000 2.325 308 F HA 0.448 nan 4.527 nan 0.000 0.369 308 F C -2.234 173.439 175.800 -0.212 0.000 1.095 308 F CA -1.002 56.834 58.000 -0.273 0.000 1.082 308 F CB 1.599 40.333 39.000 -0.444 0.000 1.289 308 F HN 0.833 8.918 8.300 -0.358 0.000 0.462 309 E N 4.548 124.717 120.200 -0.052 0.000 2.145 309 E HA 0.380 nan 4.350 nan 0.000 0.270 309 E C -1.636 174.899 176.600 -0.108 0.000 0.906 309 E CA -1.814 54.505 56.400 -0.135 0.000 0.761 309 E CB 2.483 32.059 29.700 -0.207 0.000 1.116 309 E HN 0.584 8.922 8.360 -0.036 0.000 0.408 310 N N 7.827 126.449 118.700 -0.131 0.000 2.610 310 N HA 0.310 nan 4.740 nan 0.000 0.307 310 N C -0.079 175.309 175.510 -0.202 0.000 1.813 310 N CA -0.070 52.893 53.050 -0.145 0.000 0.901 310 N CB 0.100 38.509 38.487 -0.130 0.000 1.354 310 N HN 0.388 8.684 8.380 -0.140 0.000 0.491 311 L N -1.660 119.447 121.223 -0.194 0.000 2.201 311 L HA -0.303 nan 4.340 nan 0.000 0.212 311 L C -0.430 176.339 176.870 -0.168 0.000 1.105 311 L CA 2.586 57.302 54.840 -0.207 0.000 0.775 311 L CB 0.000 41.953 42.059 -0.177 0.000 0.913 311 L HN -0.155 7.970 8.230 -0.175 0.000 0.440 312 S N -4.097 111.532 115.700 -0.118 0.000 2.568 312 S HA 0.160 nan 4.470 nan 0.000 0.302 312 S C -0.149 174.427 174.600 -0.039 0.000 1.082 312 S CA -0.814 57.343 58.200 -0.073 0.000 1.009 312 S CB 1.900 65.072 63.200 -0.048 0.000 1.069 312 S HN -0.707 7.505 8.310 -0.113 0.030 0.500 313 G N 4.117 112.911 108.800 -0.010 0.000 2.542 313 G HA2 -0.291 nan 3.960 nan 0.000 0.235 313 G HA3 -0.291 nan 3.960 nan 0.000 0.235 313 G C -1.268 173.665 174.900 0.055 0.000 1.286 313 G CA -0.322 44.802 45.100 0.041 0.000 0.904 313 G HN 0.234 8.512 8.290 -0.020 0.000 0.577 314 D N 1.059 121.538 120.400 0.132 0.000 2.358 314 D HA -0.007 nan 4.640 nan 0.000 0.244 314 D C -0.013 176.444 176.300 0.262 0.000 1.163 314 D CA -0.435 53.679 54.000 0.189 0.000 0.945 314 D CB 1.128 42.001 40.800 0.121 0.000 1.152 314 D HN 0.022 8.487 8.370 0.159 0.000 0.451 315 W N -1.051 120.302 121.300 0.088 0.000 2.223 315 W HA -0.240 nan 4.660 nan 0.000 0.334 315 W C 0.696 177.297 176.519 0.136 0.000 1.334 315 W CA 0.502 57.892 57.345 0.074 0.000 1.246 315 W CB 0.690 30.163 29.460 0.021 0.000 1.184 315 W HN 0.083 8.609 8.180 0.577 0.000 0.563 316 G N 3.139 112.067 108.800 0.213 0.000 2.432 316 G HA2 -0.130 nan 3.960 nan 0.000 0.239 316 G HA3 -0.130 nan 3.960 nan 0.000 0.239 316 G C -2.661 172.267 174.900 0.046 0.000 1.291 316 G CA 0.068 45.176 45.100 0.013 0.000 0.863 316 G HN 0.567 8.941 8.290 0.141 0.000 0.560 317 K N 3.594 123.956 120.400 -0.064 0.000 2.527 317 K HA 0.380 nan 4.320 nan 0.000 0.260 317 K C 0.039 176.218 176.600 -0.702 0.000 0.937 317 K CA -1.021 55.087 56.287 -0.298 0.000 0.826 317 K CB 2.971 35.332 32.500 -0.231 0.000 1.359 317 K HN -0.168 8.077 8.250 -0.009 0.000 0.434 318 G N 4.440 112.908 108.800 -0.554 0.000 2.148 318 G HA2 -0.498 nan 3.960 nan 0.000 0.254 318 G HA3 -0.498 nan 3.960 nan 0.000 0.254 318 G C -1.275 173.418 174.900 -0.346 0.000 0.981 318 G CA 0.722 45.596 45.100 -0.378 0.000 0.670 318 G HN 0.650 8.693 8.290 -0.413 0.000 0.528 319 N N 0.372 118.699 118.700 -0.622 0.000 2.419 319 N HA 0.232 nan 4.740 nan 0.000 0.264 319 N C -1.404 173.545 175.510 -0.934 0.000 1.031 319 N CA 0.154 52.667 53.050 -0.894 0.000 0.951 319 N CB 1.193 38.896 38.487 -1.307 0.000 1.101 319 N HN -0.422 7.540 8.380 -0.619 0.047 0.488 320 Y N 1.210 121.135 120.300 -0.625 0.000 2.545 320 Y HA 0.628 nan 4.550 nan 0.000 0.348 320 Y C -1.481 174.351 175.900 -0.113 0.000 1.002 320 Y CA -1.270 56.661 58.100 -0.281 0.000 1.039 320 Y CB 4.662 43.025 38.460 -0.161 0.000 1.271 320 Y HN 0.510 8.578 8.280 -0.353 0.000 0.467 321 V N 1.823 121.845 119.914 0.179 0.000 2.350 321 V HA 0.587 nan 4.120 nan 0.000 0.285 321 V C -1.597 174.540 176.094 0.071 0.000 1.014 321 V CA -0.567 61.765 62.300 0.054 0.000 0.831 321 V CB 0.748 32.482 31.823 -0.148 0.000 1.000 321 V HN 0.735 9.054 8.190 0.215 0.000 0.433 322 I N 7.213 127.808 120.570 0.042 0.000 2.410 322 I HA 0.715 nan 4.170 nan 0.000 0.286 322 I C -0.025 176.135 176.117 0.072 0.000 1.009 322 I CA -2.637 58.688 61.300 0.043 0.000 1.111 322 I CB 0.331 38.303 38.000 -0.048 0.000 1.262 322 I HN 0.802 9.016 8.210 0.007 0.000 0.443 323 G N 7.135 116.022 108.800 0.146 0.000 2.697 323 G HA2 -0.388 nan 3.960 nan 0.000 0.240 323 G HA3 -0.388 nan 3.960 nan 0.000 0.240 323 G C -0.716 174.326 174.900 0.237 0.000 1.346 323 G CA -0.050 45.145 45.100 0.158 0.000 0.887 323 G HN 0.810 9.201 8.290 0.168 0.000 0.569 324 G N -0.959 107.934 108.800 0.154 0.000 2.750 324 G HA2 -0.395 nan 3.960 nan 0.000 0.228 324 G HA3 -0.395 nan 3.960 nan 0.000 0.228 324 G C -2.051 172.917 174.900 0.113 0.000 1.367 324 G CA -0.160 45.028 45.100 0.146 0.000 0.871 324 G HN 0.020 8.373 8.290 0.105 0.000 0.560 325 R N -3.589 116.950 120.500 0.066 0.000 2.734 325 R HA 0.873 nan 4.340 nan 0.000 0.271 325 R C -2.153 174.160 176.300 0.021 0.000 1.021 325 R CA -1.379 54.653 56.100 -0.114 0.000 0.893 325 R CB 3.700 33.921 30.300 -0.132 0.000 1.244 325 R HN 0.317 8.645 8.270 0.098 0.000 0.464 326 T N -4.585 109.946 114.554 -0.039 0.000 2.883 326 T HA 0.680 nan 4.350 nan 0.000 0.296 326 T C -1.611 173.099 174.700 0.016 0.000 1.117 326 T CA -1.810 60.338 62.100 0.079 0.000 1.006 326 T CB 2.661 71.659 68.868 0.217 0.000 1.191 326 T HN 0.182 8.282 8.240 -0.232 0.000 0.508 327 S N 1.626 117.343 115.700 0.028 0.000 2.549 327 S HA 0.844 nan 4.470 nan 0.000 0.280 327 S C -0.584 173.968 174.600 -0.081 0.000 1.109 327 S CA -0.680 57.444 58.200 -0.127 0.000 0.905 327 S CB 3.693 66.759 63.200 -0.225 0.000 1.081 327 S HN 0.124 8.488 8.310 0.089 0.000 0.477 328 Y N 0.573 120.932 120.300 0.099 0.000 2.909 328 Y HA -0.557 nan 4.550 nan 0.000 0.465 328 Y C -0.192 175.758 175.900 0.084 0.000 1.206 328 Y CA 1.462 59.630 58.100 0.114 0.000 2.474 328 Y CB -0.760 37.837 38.460 0.228 0.000 1.242 328 Y HN 0.494 8.412 8.280 -0.603 0.000 0.634 329 G N -2.886 106.115 108.800 0.334 0.000 2.719 329 G HA2 -0.305 nan 3.960 nan 0.000 0.686 329 G HA3 -0.305 nan 3.960 nan 0.000 0.686 329 G C 0.042 174.984 174.900 0.070 0.000 1.201 329 G CA -0.517 44.693 45.100 0.183 0.000 0.768 329 G HN -0.182 8.388 8.290 0.466 0.000 0.629 330 S N 1.607 117.354 115.700 0.078 0.000 2.470 330 S HA -0.081 nan 4.470 nan 0.000 0.225 330 S C 0.127 174.667 174.600 -0.101 0.000 1.006 330 S CA 3.344 61.538 58.200 -0.009 0.000 0.934 330 S CB 0.541 63.846 63.200 0.174 0.000 0.778 330 S HN 0.340 8.723 8.310 0.121 0.000 0.517 331 G N -1.783 106.988 108.800 -0.048 0.000 3.039 331 G HA2 0.291 nan 3.960 nan 0.000 0.159 331 G HA3 0.291 nan 3.960 nan 0.000 0.159 331 G C -1.890 172.978 174.900 -0.052 0.000 1.284 331 G CA -1.576 43.485 45.100 -0.065 0.000 0.996 331 G HN -0.666 7.589 8.290 -0.001 0.034 0.592 332 S N -0.066 115.624 115.700 -0.017 0.000 2.586 332 S HA 0.310 nan 4.470 nan 0.000 0.274 332 S C 0.897 175.538 174.600 0.068 0.000 1.281 332 S CA 0.304 58.512 58.200 0.013 0.000 1.035 332 S CB 1.147 64.361 63.200 0.023 0.000 0.962 332 S HN 0.045 8.358 8.310 0.005 0.000 0.512 333 S N 6.448 122.208 115.700 0.101 0.000 2.355 333 S HA -0.158 nan 4.470 nan 0.000 0.222 333 S C -0.619 174.076 174.600 0.158 0.000 1.031 333 S CA 3.686 61.997 58.200 0.185 0.000 0.993 333 S CB 0.298 63.678 63.200 0.300 0.000 0.859 333 S HN 0.311 8.667 8.310 0.077 0.000 0.453 334 A N -2.316 120.579 122.820 0.124 0.000 2.374 334 A HA 0.780 nan 4.320 nan 0.000 0.305 334 A C -2.831 174.813 177.584 0.100 0.000 1.053 334 A CA -1.085 50.953 52.037 0.001 0.000 0.726 334 A CB 2.137 21.055 19.000 -0.137 0.000 1.229 334 A HN -0.560 7.690 8.150 0.167 0.000 0.431 335 Q N 0.906 120.707 119.800 0.002 0.000 2.377 335 Q HA 0.960 nan 4.340 nan 0.000 0.279 335 Q C -2.162 173.816 176.000 -0.037 0.000 1.049 335 Q CA -1.739 54.170 55.803 0.177 0.000 0.825 335 Q CB 4.020 32.948 28.738 0.317 0.000 1.401 335 Q HN 0.744 8.920 8.270 -0.156 0.000 0.404 336 F N 0.027 120.114 119.950 0.228 0.000 2.532 336 F HA 0.880 nan 4.527 nan 0.000 0.321 336 F C -1.731 174.111 175.800 0.070 0.000 1.089 336 F CA -1.334 56.759 58.000 0.154 0.000 0.926 336 F CB 3.916 43.020 39.000 0.173 0.000 1.168 336 F HN 0.360 9.065 8.300 0.674 0.000 0.459 337 L N 1.175 122.458 121.223 0.101 0.000 2.406 337 L HA 0.486 nan 4.340 nan 0.000 0.272 337 L C -0.702 176.151 176.870 -0.029 0.000 0.980 337 L CA -0.532 54.280 54.840 -0.048 0.000 0.831 337 L CB 2.128 43.984 42.059 -0.339 0.000 1.253 337 L HN 0.955 9.242 8.230 0.095 0.000 0.406 338 R N 1.738 122.217 120.500 -0.034 0.000 3.205 338 R HA -0.532 nan 4.340 nan 0.000 0.249 338 R C -1.791 174.539 176.300 0.050 0.000 0.937 338 R CA 0.826 56.767 56.100 -0.265 0.000 0.641 338 R CB -1.537 28.382 30.300 -0.635 0.000 1.114 338 R HN 0.471 8.647 8.270 0.049 0.123 0.451 339 N N -1.552 117.366 118.700 0.362 0.000 2.314 339 N HA 0.609 nan 4.740 nan 0.000 0.304 339 N C -2.457 173.339 175.510 0.476 0.000 1.073 339 N CA -0.211 53.055 53.050 0.360 0.000 0.822 339 N CB 3.721 42.339 38.487 0.218 0.000 1.280 339 N HN -0.583 8.024 8.380 0.379 0.000 0.489 340 N N 2.465 121.354 118.700 0.315 0.000 2.533 340 N HA 0.303 nan 4.740 nan 0.000 0.289 340 N C -0.092 175.404 175.510 -0.023 0.000 1.103 340 N CA -0.209 52.915 53.050 0.123 0.000 0.877 340 N CB 1.242 39.654 38.487 -0.125 0.000 1.419 340 N HN 0.603 9.134 8.380 0.253 0.000 0.517 341 G N 2.783 111.546 108.800 -0.062 0.000 2.848 341 G HA2 -0.008 nan 3.960 nan 0.000 0.208 341 G HA3 -0.008 nan 3.960 nan 0.000 0.208 341 G C -0.401 174.441 174.900 -0.097 0.000 1.152 341 G CA -0.047 44.979 45.100 -0.123 0.000 0.789 341 G HN 0.259 8.541 8.290 -0.013 0.000 0.531 342 G N 0.176 108.897 108.800 -0.132 0.000 2.855 342 G HA2 -0.368 nan 3.960 nan 0.000 0.352 342 G HA3 -0.368 nan 3.960 nan 0.000 0.352 342 G C -0.466 174.385 174.900 -0.081 0.000 1.415 342 G CA -0.398 44.561 45.100 -0.234 0.000 0.871 342 G HN -0.147 8.348 8.290 -0.128 -0.282 0.543 343 F N 1.499 121.428 119.950 -0.034 0.000 2.202 343 F HA -0.275 nan 4.527 nan 0.000 0.301 343 F C 1.427 177.218 175.800 -0.016 0.000 1.082 343 F CA 1.525 59.510 58.000 -0.026 0.000 1.313 343 F CB -0.614 38.370 39.000 -0.026 0.000 1.024 343 F HN 0.420 8.345 8.300 -0.624 0.000 0.495 344 E N -2.178 118.109 120.200 0.146 0.000 2.478 344 E HA -0.277 nan 4.350 nan 0.000 0.198 344 E C 0.255 176.893 176.600 0.064 0.000 1.046 344 E CA 0.684 57.141 56.400 0.094 0.000 0.870 344 E CB -1.043 28.703 29.700 0.077 0.000 0.818 344 E HN 0.161 8.543 8.360 0.094 0.035 0.527 345 R N -3.240 117.285 120.500 0.041 0.000 3.264 345 R HA -0.333 nan 4.340 nan 0.000 0.251 345 R C -0.868 175.406 176.300 -0.043 0.000 0.971 345 R CA -0.064 56.031 56.100 -0.008 0.000 0.658 345 R CB -3.016 27.288 30.300 0.007 0.000 1.095 345 R HN -0.100 8.007 8.270 0.055 0.196 0.443 346 D N 0.998 121.363 120.400 -0.058 0.000 2.517 346 D HA 0.064 nan 4.640 nan 0.000 0.220 346 D C -1.366 174.669 176.300 -0.441 0.000 1.158 346 D CA -0.312 53.654 54.000 -0.056 0.000 0.992 346 D CB -0.254 40.584 40.800 0.063 0.000 1.058 346 D HN -0.256 7.975 8.370 -0.050 0.110 0.516 347 G N 2.079 110.321 108.800 -0.929 0.000 2.345 347 G HA2 -0.009 nan 3.960 nan 0.000 0.310 347 G HA3 -0.009 nan 3.960 nan 0.000 0.310 347 G C -2.214 172.063 174.900 -1.037 0.000 1.476 347 G CA -0.080 44.191 45.100 -1.381 0.000 0.978 347 G HN -0.597 7.318 8.290 -0.625 0.000 0.656 348 G N -2.505 105.744 108.800 -0.918 0.000 2.293 348 G HA2 -0.121 nan 3.960 nan 0.000 0.282 348 G HA3 -0.121 nan 3.960 nan 0.000 0.282 348 G C -2.874 171.887 174.900 -0.232 0.000 1.299 348 G CA 0.191 44.803 45.100 -0.813 0.000 1.018 348 G HN 0.018 7.798 8.290 -0.850 0.000 0.478 349 V N 0.603 120.415 119.914 -0.170 0.000 2.483 349 V HA 0.789 nan 4.120 nan 0.000 0.297 349 V C -1.459 174.740 176.094 0.175 0.000 1.027 349 V CA -0.853 61.536 62.300 0.147 0.000 0.855 349 V CB 1.338 33.380 31.823 0.366 0.000 0.995 349 V HN 0.249 8.143 8.190 -0.495 0.000 0.424 350 I N 4.653 125.337 120.570 0.189 0.000 2.499 350 I HA 0.467 nan 4.170 nan 0.000 0.288 350 I C -0.253 175.981 176.117 0.195 0.000 1.048 350 I CA -1.507 59.894 61.300 0.169 0.000 1.062 350 I CB 3.657 41.719 38.000 0.104 0.000 1.238 350 I HN 0.786 9.106 8.210 0.182 0.000 0.426 351 G N 6.358 115.278 108.800 0.200 0.000 2.225 351 G HA2 -0.440 nan 3.960 nan 0.000 0.267 351 G HA3 -0.440 nan 3.960 nan 0.000 0.267 351 G C -1.090 173.962 174.900 0.253 0.000 1.024 351 G CA 0.706 45.915 45.100 0.183 0.000 0.784 351 G HN 0.313 8.720 8.290 0.195 0.000 0.507 352 F N 0.691 120.721 119.950 0.133 0.000 2.425 352 F HA 0.427 nan 4.527 nan 0.000 0.331 352 F C -2.296 173.577 175.800 0.122 0.000 1.085 352 F CA -1.520 56.555 58.000 0.125 0.000 1.028 352 F CB 3.023 42.119 39.000 0.160 0.000 1.177 352 F HN -0.686 7.864 8.300 0.444 0.016 0.487 353 T N 8.356 122.472 114.554 -0.729 0.000 2.812 353 T HA 0.472 nan 4.350 nan 0.000 0.282 353 T C -2.301 171.809 174.700 -0.985 0.000 0.990 353 T CA -0.714 61.021 62.100 -0.609 0.000 0.960 353 T CB 1.511 70.215 68.868 -0.273 0.000 0.948 353 T HN 0.383 8.150 8.240 -0.788 0.000 0.438 354 S N 5.180 120.519 115.700 -0.601 0.000 2.478 354 S HA 0.659 nan 4.470 nan 0.000 0.312 354 S C -2.299 172.234 174.600 -0.112 0.000 1.094 354 S CA -1.889 56.094 58.200 -0.362 0.000 1.081 354 S CB 2.130 65.229 63.200 -0.168 0.000 1.007 354 S HN 0.602 8.678 8.310 -0.391 0.000 0.475 355 Y N 7.901 128.081 120.300 -0.201 0.000 2.376 355 Y HA 0.436 nan 4.550 nan 0.000 0.340 355 Y C -1.526 174.263 175.900 -0.184 0.000 0.965 355 Y CA -1.520 56.478 58.100 -0.171 0.000 1.078 355 Y CB 2.881 41.208 38.460 -0.223 0.000 1.193 355 Y HN 0.422 8.680 8.280 -0.037 0.000 0.452 356 R N 6.191 126.158 120.500 -0.888 0.000 3.251 356 R HA -0.503 nan 4.340 nan 0.000 0.249 356 R C -1.702 174.435 176.300 -0.272 0.000 0.949 356 R CA 0.478 56.122 56.100 -0.760 0.000 0.645 356 R CB -2.018 27.389 30.300 -1.490 0.000 1.065 356 R HN 0.352 8.291 8.270 -0.550 0.000 0.452 357 A N -3.143 119.596 122.820 -0.135 0.000 2.477 357 A HA 0.006 nan 4.320 nan 0.000 0.246 357 A C 0.805 178.334 177.584 -0.091 0.000 1.078 357 A CA -0.329 51.666 52.037 -0.070 0.000 0.770 357 A CB 0.862 19.841 19.000 -0.035 0.000 1.011 357 A HN -0.237 7.837 8.150 -0.126 0.000 0.494 358 G N 1.491 110.147 108.800 -0.240 0.000 2.471 358 G HA2 -0.238 nan 3.960 nan 0.000 0.219 358 G HA3 -0.238 nan 3.960 nan 0.000 0.219 358 G C -0.670 174.143 174.900 -0.146 0.000 1.125 358 G CA 1.673 46.441 45.100 -0.554 0.000 0.775 358 G HN 0.429 8.606 8.290 -0.188 0.000 0.548 359 E N -1.745 118.398 120.200 -0.095 0.000 3.722 359 E HA 0.275 nan 4.350 nan 0.000 0.276 359 E C -1.400 175.200 176.600 -0.000 0.000 0.942 359 E CA -0.956 55.376 56.400 -0.114 0.000 1.088 359 E CB 2.155 31.655 29.700 -0.333 0.000 2.828 359 E HN -0.537 7.722 8.360 -0.112 0.034 0.539 360 S N -0.746 114.911 115.700 -0.071 0.000 2.621 360 S HA 0.508 nan 4.470 nan 0.000 0.302 360 S C 0.913 175.484 174.600 -0.048 0.000 1.093 360 S CA -1.424 56.750 58.200 -0.042 0.000 1.017 360 S CB 2.791 65.947 63.200 -0.073 0.000 1.077 360 S HN -0.384 7.852 8.310 -0.125 0.000 0.517 361 G N 1.865 110.605 108.800 -0.100 0.000 2.434 361 G HA2 -0.065 nan 3.960 nan 0.000 0.214 361 G HA3 -0.065 nan 3.960 nan 0.000 0.214 361 G C -1.350 173.535 174.900 -0.024 0.000 1.202 361 G CA 1.909 46.944 45.100 -0.107 0.000 0.788 361 G HN 0.194 8.409 8.290 -0.125 0.000 0.539 362 V N 0.065 119.893 119.914 -0.144 0.000 2.531 362 V HA 0.513 nan 4.120 nan 0.000 0.301 362 V C -2.429 173.683 176.094 0.028 0.000 1.034 362 V CA -1.319 61.005 62.300 0.039 0.000 0.865 362 V CB 2.113 34.020 31.823 0.140 0.000 0.995 362 V HN -0.397 7.605 8.190 -0.313 0.000 0.424 363 K N 6.732 127.206 120.400 0.123 0.000 2.507 363 K HA 0.777 nan 4.320 nan 0.000 0.251 363 K C -1.960 174.785 176.600 0.241 0.000 0.943 363 K CA -1.364 54.971 56.287 0.081 0.000 0.794 363 K CB 4.341 36.843 32.500 0.002 0.000 1.188 363 K HN 0.749 9.131 8.250 0.219 0.000 0.428 364 T N 4.216 118.848 114.554 0.130 0.000 2.749 364 T HA 0.492 nan 4.350 nan 0.000 0.287 364 T C -0.323 174.521 174.700 0.241 0.000 0.970 364 T CA -1.706 60.547 62.100 0.254 0.000 0.980 364 T CB 0.047 68.981 68.868 0.111 0.000 0.924 364 T HN 0.072 8.304 8.240 -0.013 0.000 0.456 365 W N 5.437 126.782 121.300 0.075 0.000 2.148 365 W HA -0.091 nan 4.660 nan 0.000 0.347 365 W C -0.967 175.568 176.519 0.027 0.000 1.288 365 W CA 1.190 58.553 57.345 0.030 0.000 1.252 365 W CB 0.672 30.146 29.460 0.023 0.000 1.156 365 W HN -0.001 8.665 8.180 0.700 -0.065 0.580 366 Q N -0.676 119.195 119.800 0.119 0.000 2.387 366 Q HA 0.390 nan 4.340 nan 0.000 0.273 366 Q C -0.141 175.921 176.000 0.103 0.000 1.089 366 Q CA -0.843 55.009 55.803 0.082 0.000 0.824 366 Q CB 3.340 32.078 28.738 0.002 0.000 1.367 366 Q HN -0.176 8.073 8.270 -0.035 0.000 0.443 367 G N 3.276 112.132 108.800 0.094 0.000 2.693 367 G HA2 -0.421 nan 3.960 nan 0.000 0.226 367 G HA3 -0.421 nan 3.960 nan 0.000 0.226 367 G C -1.908 173.054 174.900 0.105 0.000 1.354 367 G CA -0.086 45.065 45.100 0.085 0.000 0.873 367 G HN 0.042 8.386 8.290 0.090 0.000 0.562 368 T N 2.746 117.349 114.554 0.082 0.000 2.806 368 T HA 0.409 nan 4.350 nan 0.000 0.290 368 T C -0.157 174.589 174.700 0.077 0.000 0.966 368 T CA 0.885 63.026 62.100 0.068 0.000 1.060 368 T CB 0.666 69.563 68.868 0.049 0.000 0.927 368 T HN 0.212 8.493 8.240 0.067 0.000 0.485 369 V N 7.574 127.521 119.914 0.054 0.000 2.409 369 V HA 0.317 nan 4.120 nan 0.000 0.290 369 V C 0.038 176.128 176.094 -0.006 0.000 1.017 369 V CA -0.797 61.529 62.300 0.043 0.000 0.841 369 V CB 1.025 32.861 31.823 0.022 0.000 1.003 369 V HN 0.709 8.916 8.190 0.029 0.000 0.426 370 G N 8.132 116.932 108.800 0.001 0.000 2.552 370 G HA2 -0.358 nan 3.960 nan 0.000 0.267 370 G HA3 -0.358 nan 3.960 nan 0.000 0.267 370 G C -0.386 174.511 174.900 -0.005 0.000 1.174 370 G CA 1.137 46.230 45.100 -0.012 0.000 0.955 370 G HN 0.273 8.574 8.290 0.018 0.000 0.546 371 S N 3.301 118.992 115.700 -0.014 0.000 2.663 371 S HA 0.260 nan 4.470 nan 0.000 0.243 371 S C -0.772 173.822 174.600 -0.010 0.000 1.009 371 S CA -0.206 57.990 58.200 -0.006 0.000 0.988 371 S CB 0.875 64.071 63.200 -0.007 0.000 0.896 371 S HN 0.243 8.537 8.310 -0.026 0.000 0.502 372 T N 0.736 115.276 114.554 -0.024 0.000 2.804 372 T HA 0.239 nan 4.350 nan 0.000 0.290 372 T C -2.496 172.186 174.700 -0.030 0.000 1.099 372 T CA -0.820 61.258 62.100 -0.037 0.000 1.011 372 T CB 3.172 71.988 68.868 -0.088 0.000 1.291 372 T HN -0.782 7.384 8.240 -0.027 0.057 0.523 373 T N 1.061 115.591 114.554 -0.038 0.000 2.907 373 T HA 0.264 nan 4.350 nan 0.000 0.298 373 T C -0.064 174.592 174.700 -0.073 0.000 1.017 373 T CA -0.561 61.540 62.100 0.002 0.000 1.118 373 T CB 0.370 69.297 68.868 0.098 0.000 0.948 373 T HN 0.115 8.322 8.240 -0.054 0.000 0.531 374 S N 5.272 120.989 115.700 0.029 0.000 2.539 374 S HA 0.247 nan 4.470 nan 0.000 0.221 374 S C 1.295 175.975 174.600 0.134 0.000 0.987 374 S CA -0.224 57.996 58.200 0.033 0.000 0.929 374 S CB 1.237 64.525 63.200 0.146 0.000 0.832 374 S HN 0.380 8.746 8.310 0.093 0.000 0.492 375 R N 3.157 123.760 120.500 0.173 0.000 2.801 375 R HA -0.150 nan 4.340 nan 0.000 0.273 375 R C -1.202 175.310 176.300 0.354 0.000 1.080 375 R CA 1.272 57.513 56.100 0.236 0.000 1.197 375 R CB 0.753 31.186 30.300 0.220 0.000 1.109 375 R HN -0.795 7.500 8.270 0.154 0.068 0.535 376 N N -2.634 116.209 118.700 0.237 0.000 2.242 376 N HA 0.609 nan 4.740 nan 0.000 0.292 376 N C -1.618 173.959 175.510 0.111 0.000 1.125 376 N CA -0.105 53.152 53.050 0.345 0.000 0.783 376 N CB 3.851 42.528 38.487 0.317 0.000 1.558 376 N HN 0.037 8.467 8.380 0.084 0.000 0.472 377 Y N -1.549 118.907 120.300 0.261 0.000 2.581 377 Y HA 0.135 nan 4.550 nan 0.000 0.345 377 Y C -0.507 175.432 175.900 0.064 0.000 1.036 377 Y CA -0.851 57.276 58.100 0.044 0.000 1.042 377 Y CB 4.166 42.569 38.460 -0.095 0.000 1.289 377 Y HN 0.618 9.189 8.280 0.484 0.000 0.471 378 N N -2.303 116.502 118.700 0.175 0.000 2.727 378 N HA -0.472 nan 4.740 nan 0.000 0.249 378 N C -1.417 174.143 175.510 0.083 0.000 1.048 378 N CA 1.890 55.022 53.050 0.136 0.000 0.714 378 N CB -2.051 36.479 38.487 0.072 0.000 0.959 378 N HN 0.341 8.744 8.380 0.038 0.000 0.544 379 L N -4.369 116.966 121.223 0.188 0.000 2.332 379 L HA 0.405 nan 4.340 nan 0.000 0.269 379 L C -0.741 175.867 176.870 -0.437 0.000 1.016 379 L CA -1.727 52.930 54.840 -0.305 0.000 0.809 379 L CB 2.640 44.292 42.059 -0.679 0.000 1.280 379 L HN -0.686 7.982 8.230 0.729 0.000 0.447 380 Q N -1.702 117.700 119.800 -0.664 0.000 2.245 380 Q HA 0.632 nan 4.340 nan 0.000 0.256 380 Q C -0.849 174.633 176.000 -0.863 0.000 0.942 380 Q CA -0.813 54.702 55.803 -0.480 0.000 0.896 380 Q CB 2.539 31.152 28.738 -0.208 0.000 1.272 380 Q HN 0.500 8.242 8.270 -0.701 0.107 0.442 381 F N 2.815 122.754 119.950 -0.018 0.000 2.771 381 F HA 0.523 nan 4.527 nan 0.000 0.365 381 F C -1.863 173.942 175.800 0.008 0.000 1.169 381 F CA -0.953 57.057 58.000 0.016 0.000 1.093 381 F CB 1.325 40.321 39.000 -0.006 0.000 1.363 381 F HN 0.963 9.251 8.300 -0.020 0.000 0.496 382 R N 0.851 121.442 120.500 0.153 0.000 2.774 382 R HA 0.537 nan 4.340 nan 0.000 0.272 382 R C -0.857 175.519 176.300 0.128 0.000 1.000 382 R CA -1.000 55.160 56.100 0.099 0.000 0.906 382 R CB 3.531 33.866 30.300 0.058 0.000 1.227 382 R HN 0.519 8.887 8.270 0.162 0.000 0.468 383 D N -1.474 118.980 120.400 0.089 0.000 2.701 383 D HA -0.427 nan 4.640 nan 0.000 0.235 383 D C -1.377 175.019 176.300 0.159 0.000 1.155 383 D CA 1.961 56.020 54.000 0.098 0.000 0.649 383 D CB -2.231 38.617 40.800 0.081 0.000 1.050 383 D HN 0.209 8.610 8.370 0.053 0.000 0.425 384 S N -3.095 112.741 115.700 0.226 0.000 2.600 384 S HA 0.519 nan 4.470 nan 0.000 0.300 384 S C -1.901 172.908 174.600 0.348 0.000 1.087 384 S CA -0.472 57.932 58.200 0.340 0.000 0.965 384 S CB 3.670 67.206 63.200 0.560 0.000 1.089 384 S HN -0.789 7.624 8.310 0.188 0.010 0.496 385 V N 1.142 121.207 119.914 0.252 0.000 2.656 385 V HA 0.706 nan 4.120 nan 0.000 0.307 385 V C -1.727 174.403 176.094 0.060 0.000 1.051 385 V CA -0.687 61.713 62.300 0.167 0.000 0.893 385 V CB 2.723 34.583 31.823 0.062 0.000 0.999 385 V HN 0.657 8.960 8.190 0.187 0.000 0.426 386 V N 6.181 126.126 119.914 0.051 0.000 2.483 386 V HA 0.821 nan 4.120 nan 0.000 0.297 386 V C -1.612 174.450 176.094 -0.053 0.000 1.027 386 V CA -1.129 61.118 62.300 -0.087 0.000 0.855 386 V CB 1.810 33.467 31.823 -0.277 0.000 0.995 386 V HN 0.498 8.781 8.190 0.155 0.000 0.424 387 I N 0.335 120.877 120.570 -0.046 0.000 2.545 387 I HA 0.838 nan 4.170 nan 0.000 0.292 387 I C -0.721 175.387 176.117 -0.014 0.000 1.040 387 I CA -2.254 58.984 61.300 -0.102 0.000 1.068 387 I CB 3.191 41.197 38.000 0.010 0.000 1.251 387 I HN 0.821 9.016 8.210 -0.026 0.000 0.424 388 Y N -0.342 120.013 120.300 0.092 0.000 3.305 388 Y HA -0.384 nan 4.550 nan 0.000 0.212 388 Y C -2.362 173.662 175.900 0.206 0.000 1.248 388 Y CA 0.146 58.337 58.100 0.152 0.000 1.359 388 Y CB -2.422 35.933 38.460 -0.175 0.000 1.407 388 Y HN 0.591 8.473 8.280 -0.664 0.000 0.572 389 P HA 0.134 nan 4.420 nan 0.000 0.278 389 P C -0.676 176.725 177.300 0.169 0.000 1.238 389 P CA -0.758 62.426 63.100 0.140 0.000 0.794 389 P CB 1.182 32.906 31.700 0.041 0.000 0.955 390 V N -0.541 119.461 119.914 0.147 0.000 2.548 390 V HA -0.273 nan 4.120 nan 0.000 0.249 390 V C 1.284 177.251 176.094 -0.211 0.000 1.055 390 V CA 4.816 67.082 62.300 -0.057 0.000 1.065 390 V CB -0.477 31.454 31.823 0.179 0.000 0.681 390 V HN 0.591 8.876 8.190 0.160 0.000 0.462 391 W N -3.589 117.604 121.300 -0.178 0.000 4.339 391 W HA 0.134 nan 4.660 nan 0.000 0.547 391 W C -0.973 175.459 176.519 -0.144 0.000 3.316 391 W CA 0.428 57.660 57.345 -0.189 0.000 1.224 391 W CB 1.213 30.563 29.460 -0.185 0.000 2.202 391 W HN -0.007 8.322 8.180 0.260 0.007 0.395 392 D N -3.173 117.329 120.400 0.170 0.000 2.272 392 D HA 0.343 nan 4.640 nan 0.000 0.247 392 D C 1.293 177.601 176.300 0.013 0.000 0.990 392 D CA -1.141 52.899 54.000 0.066 0.000 0.931 392 D CB 2.132 42.963 40.800 0.052 0.000 1.195 392 D HN -0.500 7.995 8.370 0.209 0.000 0.477 393 G N -0.193 108.626 108.800 0.032 0.000 2.496 393 G HA2 -0.036 nan 3.960 nan 0.000 0.214 393 G HA3 -0.036 nan 3.960 nan 0.000 0.214 393 G C -0.984 173.761 174.900 -0.259 0.000 1.234 393 G CA 1.743 46.813 45.100 -0.051 0.000 0.807 393 G HN 0.301 8.640 8.290 0.083 0.000 0.543 394 F N -2.305 117.688 119.950 0.072 0.000 2.477 394 F HA 0.449 nan 4.527 nan 0.000 0.335 394 F C -2.577 173.119 175.800 -0.174 0.000 1.130 394 F CA -1.240 56.750 58.000 -0.017 0.000 0.948 394 F CB 3.033 42.082 39.000 0.081 0.000 1.154 394 F HN -0.493 8.018 8.300 0.352 0.000 0.439 395 D N 4.385 124.756 120.400 -0.049 0.000 2.462 395 D HA 0.461 nan 4.640 nan 0.000 0.249 395 D C -0.907 175.292 176.300 -0.169 0.000 1.117 395 D CA -1.268 52.659 54.000 -0.121 0.000 0.900 395 D CB 0.402 41.134 40.800 -0.114 0.000 1.039 395 D HN 0.890 9.232 8.370 -0.047 0.000 0.516 396 L N 3.493 124.571 121.223 -0.243 0.000 2.872 396 L HA 0.404 nan 4.340 nan 0.000 0.245 396 L C 0.400 177.212 176.870 -0.096 0.000 1.211 396 L CA -1.351 53.334 54.840 -0.258 0.000 1.013 396 L CB -0.639 41.181 42.059 -0.397 0.000 1.326 396 L HN 0.565 8.513 8.230 -0.300 0.103 0.525 397 G N -0.162 108.599 108.800 -0.065 0.000 2.599 397 G HA2 0.006 nan 3.960 nan 0.000 0.264 397 G HA3 0.006 nan 3.960 nan 0.000 0.264 397 G C -2.072 172.850 174.900 0.036 0.000 1.200 397 G CA -0.250 44.855 45.100 0.009 0.000 0.896 397 G HN -0.744 7.612 8.290 -0.093 -0.122 0.536 398 A N -1.662 121.193 122.820 0.059 0.000 2.141 398 A HA 0.428 nan 4.320 nan 0.000 0.201 398 A C -1.004 176.616 177.584 0.060 0.000 1.344 398 A CA 0.062 52.127 52.037 0.047 0.000 0.971 398 A CB 2.205 21.192 19.000 -0.022 0.000 1.035 398 A HN 0.079 8.776 8.150 0.088 -0.495 0.480 399 D N -0.850 119.594 120.400 0.075 0.000 2.228 399 D HA 0.332 nan 4.640 nan 0.000 0.247 399 D C -0.526 175.817 176.300 0.072 0.000 0.995 399 D CA -0.144 53.859 54.000 0.006 0.000 0.903 399 D CB 2.855 43.533 40.800 -0.204 0.000 1.205 399 D HN -0.327 8.432 8.370 0.131 -0.310 0.459 408 R N 1.206 121.757 120.500 0.085 0.000 2.587 408 R HA 0.429 nan 4.340 nan 0.000 0.283 408 R C -2.550 173.809 176.300 0.098 0.000 1.472 408 R CA -2.024 54.139 56.100 0.105 0.000 1.578 408 R CB 0.690 31.083 30.300 0.155 0.000 1.130 408 R HN -0.119 8.204 8.270 0.089 0.000 0.602 409 P HA -0.140 nan 4.420 nan 0.000 0.264 409 P C -0.089 177.251 177.300 0.067 0.000 1.193 409 P CA 0.746 63.881 63.100 0.059 0.000 0.763 409 P CB 0.263 31.987 31.700 0.040 0.000 0.810 410 G N 3.601 112.443 108.800 0.069 0.000 2.179 410 G HA2 -0.381 nan 3.960 nan 0.000 0.260 410 G HA3 -0.381 nan 3.960 nan 0.000 0.260 410 G C -1.550 173.447 174.900 0.163 0.000 0.977 410 G CA 0.267 45.420 45.100 0.088 0.000 0.641 410 G HN 0.340 8.667 8.290 0.062 0.000 0.533 411 D N -1.205 119.280 120.400 0.142 0.000 2.781 411 D HA 0.346 nan 4.640 nan 0.000 0.295 411 D C -0.415 175.935 176.300 0.082 0.000 1.143 411 D CA -1.232 52.855 54.000 0.147 0.000 1.076 411 D CB 3.126 44.097 40.800 0.285 0.000 1.444 411 D HN -0.509 7.877 8.370 0.120 0.056 0.567 412 Y N -0.409 120.033 120.300 0.238 0.000 2.620 412 Y HA -0.005 nan 4.550 nan 0.000 0.330 412 Y C -0.602 175.409 175.900 0.185 0.000 1.186 412 Y CA -1.109 57.132 58.100 0.235 0.000 1.467 412 Y CB -0.406 38.316 38.460 0.436 0.000 1.262 412 Y HN 0.192 8.558 8.280 0.143 0.000 0.550 413 P HA 0.066 nan 4.420 nan 0.000 0.274 413 P C 0.051 177.441 177.300 0.151 0.000 1.231 413 P CA -0.817 62.384 63.100 0.168 0.000 0.790 413 P CB 1.019 32.782 31.700 0.105 0.000 0.951 414 I N -0.870 119.765 120.570 0.108 0.000 2.423 414 I HA -0.324 nan 4.170 nan 0.000 0.254 414 I C 1.155 177.299 176.117 0.044 0.000 1.151 414 I CA 2.344 63.694 61.300 0.082 0.000 1.421 414 I CB -1.082 36.950 38.000 0.054 0.000 1.079 414 I HN 0.469 8.736 8.210 0.096 0.000 0.431 415 T N -6.533 108.036 114.554 0.025 0.000 2.951 415 T HA -0.117 nan 4.350 nan 0.000 0.268 415 T C 0.510 175.171 174.700 -0.065 0.000 1.073 415 T CA 1.420 63.514 62.100 -0.011 0.000 1.134 415 T CB -0.325 68.539 68.868 -0.006 0.000 0.884 415 T HN -0.158 8.071 8.240 0.039 0.035 0.479 416 Q N 1.946 121.687 119.800 -0.099 0.000 2.107 416 Q HA -0.092 nan 4.340 nan 0.000 0.195 416 Q C -0.136 175.561 176.000 -0.505 0.000 0.964 416 Q CA 2.206 57.812 55.803 -0.329 0.000 0.833 416 Q CB 2.161 30.689 28.738 -0.350 0.000 0.910 416 Q HN -0.481 7.615 8.270 -0.022 0.161 0.465 417 Y N -3.182 117.117 120.300 -0.001 0.000 2.326 417 Y HA 0.427 nan 4.550 nan 0.000 0.329 417 Y C -2.782 173.127 175.900 0.016 0.000 0.973 417 Y CA -3.338 54.754 58.100 -0.014 0.000 1.162 417 Y CB 0.936 39.371 38.460 -0.041 0.000 1.147 417 Y HN -0.334 7.965 8.280 0.032 0.000 0.456 418 P HA -0.112 nan 4.420 nan 0.000 0.270 418 P C -1.026 176.314 177.300 0.068 0.000 1.227 418 P CA -0.407 62.739 63.100 0.077 0.000 0.788 418 P CB 0.655 32.384 31.700 0.048 0.000 0.926 419 L N 1.381 122.605 121.223 0.002 0.000 2.559 419 L HA -0.397 nan 4.340 nan 0.000 0.282 419 L C -0.068 176.751 176.870 -0.084 0.000 1.232 419 L CA 2.045 56.807 54.840 -0.129 0.000 0.885 419 L CB -0.325 41.609 42.059 -0.208 0.000 1.131 419 L HN 0.004 8.236 8.230 0.004 0.000 0.498 420 H N -0.595 118.510 119.070 0.059 0.000 3.211 420 H HA -0.438 nan 4.556 nan 0.000 0.240 420 H C -0.240 175.113 175.328 0.041 0.000 1.148 420 H CA 2.095 58.170 56.048 0.044 0.000 1.160 420 H CB -2.453 27.333 29.762 0.040 0.000 1.232 420 H HN 0.730 9.172 8.280 -0.284 -0.333 0.321 421 Q N -2.960 116.914 119.800 0.122 0.000 2.141 421 Q HA 0.106 nan 4.340 nan 0.000 0.248 421 Q C -0.755 175.251 176.000 0.010 0.000 0.834 421 Q CA -1.011 54.855 55.803 0.104 0.000 1.096 421 Q CB 1.226 30.050 28.738 0.145 0.000 1.189 421 Q HN -0.252 8.021 8.270 0.097 0.055 0.471 422 L N 1.874 123.066 121.223 -0.052 0.000 2.439 422 L HA 0.223 nan 4.340 nan 0.000 0.269 422 L C -1.175 175.530 176.870 -0.274 0.000 1.179 422 L CA -2.127 52.570 54.840 -0.238 0.000 0.828 422 L CB 0.119 42.148 42.059 -0.050 0.000 1.106 422 L HN -0.332 7.904 8.230 0.010 0.000 0.467 423 P HA 0.121 nan 4.420 nan 0.000 0.225 423 P C -0.713 176.569 177.300 -0.029 0.000 1.813 423 P CA -0.476 62.486 63.100 -0.230 0.000 1.013 423 P CB -1.457 30.043 31.700 -0.333 0.000 1.961 424 L N -0.684 120.454 121.223 -0.140 0.000 2.079 424 L HA -0.377 nan 4.340 nan 0.000 0.210 424 L C 0.771 177.453 176.870 -0.313 0.000 1.081 424 L CA 1.917 56.550 54.840 -0.345 0.000 0.752 424 L CB -0.067 41.672 42.059 -0.534 0.000 0.896 424 L HN -0.243 7.833 8.230 -0.166 0.054 0.433 425 N N -6.498 112.100 118.700 -0.170 0.000 2.714 425 N HA -0.450 nan 4.740 nan 0.000 0.250 425 N C -1.210 174.300 175.510 -0.002 0.000 1.117 425 N CA 0.723 53.743 53.050 -0.049 0.000 0.719 425 N CB -0.925 37.582 38.487 0.033 0.000 1.081 425 N HN -0.460 7.838 8.380 -0.137 0.000 0.557 426 H N -2.978 116.157 119.070 0.108 0.000 2.771 426 H HA 0.078 nan 4.556 nan 0.000 0.364 426 H C 0.073 175.468 175.328 0.112 0.000 1.133 426 H CA 0.108 56.236 56.048 0.135 0.000 1.423 426 H CB 0.729 30.663 29.762 0.286 0.000 1.425 426 H HN -0.375 7.751 8.280 -0.208 0.030 0.606 427 L N 3.587 124.935 121.223 0.208 0.000 2.264 427 L HA 0.317 nan 4.340 nan 0.000 0.287 427 L C -2.153 174.806 176.870 0.149 0.000 1.039 427 L CA -0.924 53.988 54.840 0.119 0.000 0.829 427 L CB 0.655 42.742 42.059 0.046 0.000 1.211 427 L HN 0.529 8.861 8.230 0.170 0.000 0.427 428 I N 6.609 127.276 120.570 0.162 0.000 2.382 428 I HA 0.480 nan 4.170 nan 0.000 0.286 428 I C -2.253 173.896 176.117 0.054 0.000 1.002 428 I CA -0.803 60.592 61.300 0.158 0.000 1.135 428 I CB 1.726 39.864 38.000 0.230 0.000 1.288 428 I HN 0.257 8.553 8.210 0.143 0.000 0.448 429 D N 7.080 127.489 120.400 0.016 0.000 2.803 429 D HA 0.214 nan 4.640 nan 0.000 0.218 429 D C -1.940 174.337 176.300 -0.038 0.000 1.245 429 D CA -0.371 53.617 54.000 -0.021 0.000 0.821 429 D CB 3.861 44.661 40.800 -0.000 0.000 1.626 429 D HN 0.165 8.556 8.370 0.035 0.000 0.487 430 N N 3.119 121.784 118.700 -0.058 0.000 2.648 430 N HA -0.414 nan 4.740 nan 0.000 0.265 430 N C -1.775 173.708 175.510 -0.044 0.000 1.100 430 N CA 1.398 54.423 53.050 -0.042 0.000 0.715 430 N CB -0.970 37.512 38.487 -0.007 0.000 0.881 430 N HN -0.117 8.222 8.380 -0.069 0.000 0.548 431 L N -2.223 118.932 121.223 -0.113 0.000 2.346 431 L HA 0.766 nan 4.340 nan 0.000 0.274 431 L C -2.259 174.595 176.870 -0.028 0.000 1.007 431 L CA -1.384 53.387 54.840 -0.115 0.000 0.818 431 L CB 3.191 44.974 42.059 -0.460 0.000 1.284 431 L HN -0.580 7.559 8.230 -0.152 0.000 0.424 432 L N 3.236 124.526 121.223 0.112 0.000 2.385 432 L HA 0.813 nan 4.340 nan 0.000 0.273 432 L C -2.535 174.452 176.870 0.195 0.000 0.990 432 L CA -1.111 53.792 54.840 0.105 0.000 0.821 432 L CB 3.514 45.615 42.059 0.070 0.000 1.279 432 L HN 0.259 8.608 8.230 0.199 0.000 0.412 433 V N 6.091 126.092 119.914 0.144 0.000 2.709 433 V HA 0.771 nan 4.120 nan 0.000 0.308 433 V C -2.606 173.504 176.094 0.027 0.000 1.062 433 V CA -1.251 61.128 62.300 0.133 0.000 0.901 433 V CB 3.150 35.103 31.823 0.216 0.000 1.003 433 V HN 0.854 9.100 8.190 0.093 0.000 0.425 434 R N 5.074 125.536 120.500 -0.064 0.000 2.584 434 R HA 0.572 nan 4.340 nan 0.000 0.276 434 R C -0.453 175.625 176.300 -0.370 0.000 1.046 434 R CA -1.306 54.699 56.100 -0.158 0.000 0.906 434 R CB 3.788 33.993 30.300 -0.158 0.000 1.215 434 R HN 0.734 8.959 8.270 -0.075 0.000 0.449 435 G N 4.860 113.512 108.800 -0.246 0.000 2.143 435 G HA2 -0.471 nan 3.960 nan 0.000 0.248 435 G HA3 -0.471 nan 3.960 nan 0.000 0.248 435 G C -1.343 173.669 174.900 0.187 0.000 0.991 435 G CA 0.128 45.117 45.100 -0.185 0.000 0.689 435 G HN 0.166 8.393 8.290 -0.106 0.000 0.522 436 A N -0.716 122.155 122.820 0.085 0.000 2.477 436 A HA 0.100 nan 4.320 nan 0.000 0.246 436 A C -0.066 177.501 177.584 -0.030 0.000 1.078 436 A CA 0.090 52.175 52.037 0.080 0.000 0.770 436 A CB 0.475 19.490 19.000 0.025 0.000 1.011 436 A HN -0.753 7.406 8.150 0.015 0.000 0.494 437 L N 1.553 122.571 121.223 -0.342 0.000 2.418 437 L HA 0.104 nan 4.340 nan 0.000 0.218 437 L C 0.045 176.739 176.870 -0.292 0.000 1.125 437 L CA 0.675 55.115 54.840 -0.666 0.000 0.835 437 L CB 0.527 41.759 42.059 -1.378 0.000 0.953 437 L HN 0.246 8.293 8.230 -0.304 0.000 0.454 438 G N -2.178 106.478 108.800 -0.240 0.000 3.271 438 G HA2 0.090 nan 3.960 nan 0.000 0.174 438 G HA3 0.090 nan 3.960 nan 0.000 0.174 438 G C -1.701 173.166 174.900 -0.056 0.000 1.385 438 G CA -0.842 44.151 45.100 -0.180 0.000 0.979 438 G HN -0.718 7.411 8.290 -0.214 0.033 0.610 439 V N 1.489 121.387 119.914 -0.026 0.000 2.509 439 V HA 0.242 nan 4.120 nan 0.000 0.284 439 V C 0.960 177.102 176.094 0.079 0.000 1.047 439 V CA 0.166 62.482 62.300 0.028 0.000 0.952 439 V CB 0.336 32.171 31.823 0.019 0.000 0.988 439 V HN -0.154 8.344 8.190 -0.029 -0.325 0.469 440 G N 6.039 114.911 108.800 0.120 0.000 2.414 440 G HA2 -0.096 nan 3.960 nan 0.000 0.215 440 G HA3 -0.096 nan 3.960 nan 0.000 0.215 440 G C -1.858 173.235 174.900 0.322 0.000 1.188 440 G CA 1.808 47.017 45.100 0.182 0.000 0.783 440 G HN 0.565 8.920 8.290 0.109 0.000 0.537 441 F N 0.884 120.913 119.950 0.131 0.000 2.579 441 F HA 0.470 nan 4.527 nan 0.000 0.325 441 F C -2.614 173.263 175.800 0.128 0.000 1.162 441 F CA -1.562 56.530 58.000 0.153 0.000 0.946 441 F CB 2.984 42.046 39.000 0.103 0.000 1.211 441 F HN -0.111 8.278 8.300 0.317 0.100 0.447 442 G N 5.920 114.479 108.800 -0.402 0.000 2.591 442 G HA2 0.896 nan 3.960 nan 0.000 0.306 442 G HA3 0.896 nan 3.960 nan 0.000 0.306 442 G C -3.034 171.618 174.900 -0.413 0.000 1.334 442 G CA -1.074 43.871 45.100 -0.258 0.000 0.981 442 G HN 0.926 8.966 8.290 -0.416 0.000 0.491 443 M N -1.411 118.053 119.600 -0.226 0.000 3.012 443 M HA 0.610 nan 4.480 nan 0.000 0.272 443 M C -2.944 173.340 176.300 -0.026 0.000 1.187 443 M CA -0.416 54.794 55.300 -0.150 0.000 0.813 443 M CB 3.953 36.438 32.600 -0.191 0.000 1.626 443 M HN 0.192 8.417 8.290 -0.109 0.000 0.507 444 D N -1.847 118.567 120.400 0.023 0.000 2.744 444 D HA 0.660 nan 4.640 nan 0.000 0.304 444 D C -0.206 176.134 176.300 0.066 0.000 1.179 444 D CA -2.069 51.968 54.000 0.062 0.000 1.024 444 D CB 3.453 44.344 40.800 0.152 0.000 1.453 444 D HN -0.175 8.208 8.370 0.022 0.000 0.529 445 G N -3.585 105.261 108.800 0.077 0.000 2.357 445 G HA2 -0.211 nan 3.960 nan 0.000 0.643 445 G HA3 -0.211 nan 3.960 nan 0.000 0.643 445 G C -2.800 172.118 174.900 0.030 0.000 1.358 445 G CA -0.223 44.892 45.100 0.025 0.000 0.986 445 G HN 0.091 8.449 8.290 0.113 0.000 0.620 446 K N 1.173 121.565 120.400 -0.014 0.000 2.375 446 K HA 0.614 nan 4.320 nan 0.000 0.249 446 K C -0.046 176.508 176.600 -0.077 0.000 0.942 446 K CA -2.678 53.601 56.287 -0.012 0.000 0.806 446 K CB 2.673 35.199 32.500 0.042 0.000 1.227 446 K HN 0.151 8.368 8.250 -0.055 0.000 0.430 447 G N 5.369 114.094 108.800 -0.125 0.000 2.198 447 G HA2 -0.326 nan 3.960 nan 0.000 0.260 447 G HA3 -0.326 nan 3.960 nan 0.000 0.260 447 G C -0.173 174.622 174.900 -0.174 0.000 1.025 447 G CA 0.631 45.638 45.100 -0.155 0.000 0.769 447 G HN 0.048 8.253 8.290 -0.142 0.000 0.507 448 M N -0.812 118.652 119.600 -0.226 0.000 2.288 448 M HA 0.107 nan 4.480 nan 0.000 0.334 448 M C -1.076 174.978 176.300 -0.410 0.000 1.150 448 M CA -1.022 54.156 55.300 -0.204 0.000 1.118 448 M CB 0.862 33.365 32.600 -0.161 0.000 1.501 448 M HN -0.601 7.529 8.290 -0.229 0.022 0.462 449 Y N -0.284 119.903 120.300 -0.188 0.000 2.331 449 Y HA 0.484 nan 4.550 nan 0.000 0.334 449 Y C -1.718 174.076 175.900 -0.178 0.000 0.960 449 Y CA -0.710 57.265 58.100 -0.208 0.000 1.130 449 Y CB 1.547 39.932 38.460 -0.125 0.000 1.164 449 Y HN -0.000 8.325 8.280 0.076 0.000 0.458 450 V N 5.127 124.953 119.914 -0.148 0.000 2.656 450 V HA 0.620 nan 4.120 nan 0.000 0.307 450 V C -1.811 174.278 176.094 -0.008 0.000 1.051 450 V CA -1.718 60.551 62.300 -0.051 0.000 0.893 450 V CB 2.660 34.474 31.823 -0.015 0.000 0.999 450 V HN 0.754 8.753 8.190 -0.318 0.000 0.426 451 S N 4.576 120.272 115.700 -0.007 0.000 2.564 451 S HA 0.652 nan 4.470 nan 0.000 0.274 451 S C -0.485 174.083 174.600 -0.054 0.000 1.124 451 S CA -1.228 56.964 58.200 -0.013 0.000 0.869 451 S CB 3.447 66.648 63.200 0.002 0.000 1.105 451 S HN 0.135 8.438 8.310 -0.012 0.000 0.472 452 N N -0.486 118.185 118.700 -0.048 0.000 2.671 452 N HA -0.422 nan 4.740 nan 0.000 0.261 452 N C -1.708 173.736 175.510 -0.111 0.000 1.053 452 N CA 1.745 54.758 53.050 -0.061 0.000 0.732 452 N CB -1.772 36.691 38.487 -0.041 0.000 0.887 452 N HN 0.499 8.864 8.380 -0.025 0.000 0.546 453 I N -1.145 119.334 120.570 -0.152 0.000 2.377 453 I HA 0.512 nan 4.170 nan 0.000 0.293 453 I C -0.998 175.032 176.117 -0.145 0.000 0.987 453 I CA -1.722 59.435 61.300 -0.239 0.000 1.185 453 I CB 0.498 38.219 38.000 -0.464 0.000 1.341 453 I HN -0.696 7.442 8.210 -0.119 0.000 0.455 454 T N 8.881 123.374 114.554 -0.101 0.000 2.809 454 T HA 0.567 nan 4.350 nan 0.000 0.284 454 T C -1.882 172.809 174.700 -0.015 0.000 0.992 454 T CA -0.579 61.493 62.100 -0.046 0.000 0.957 454 T CB 1.255 70.109 68.868 -0.024 0.000 0.942 454 T HN 0.678 8.855 8.240 -0.106 0.000 0.439 455 V N 7.707 127.619 119.914 -0.003 0.000 2.531 455 V HA 0.734 nan 4.120 nan 0.000 0.301 455 V C -1.998 174.107 176.094 0.019 0.000 1.034 455 V CA -0.979 61.339 62.300 0.030 0.000 0.865 455 V CB 2.158 34.014 31.823 0.056 0.000 0.995 455 V HN 1.075 9.256 8.190 -0.014 0.000 0.424 456 E N 6.064 126.273 120.200 0.016 0.000 2.293 456 E HA 0.573 nan 4.350 nan 0.000 0.270 456 E C -1.738 174.866 176.600 0.007 0.000 0.879 456 E CA -2.020 54.386 56.400 0.009 0.000 0.756 456 E CB 4.094 33.797 29.700 0.004 0.000 1.208 456 E HN 0.738 9.108 8.360 0.016 0.000 0.428 457 D N 2.085 122.495 120.400 0.017 0.000 2.803 457 D HA -0.460 nan 4.640 nan 0.000 0.233 457 D C -1.564 174.762 176.300 0.043 0.000 1.182 457 D CA 1.452 55.471 54.000 0.032 0.000 0.726 457 D CB -0.721 40.106 40.800 0.044 0.000 0.987 457 D HN 0.044 8.424 8.370 0.016 0.000 0.412 458 C N -1.918 117.399 119.300 0.028 0.000 2.435 458 C HA 0.545 nan 4.460 nan 0.000 0.333 458 C C 0.336 175.311 174.990 -0.026 0.000 1.202 458 C CA -2.036 56.996 59.018 0.023 0.000 1.830 458 C CB 2.112 29.866 27.740 0.023 0.000 2.326 458 C HN -0.485 7.756 8.230 0.017 0.000 0.507 459 A N 3.109 125.887 122.820 -0.070 0.000 1.970 459 A HA 0.107 nan 4.320 nan 0.000 0.216 459 A C -0.320 177.089 177.584 -0.291 0.000 1.170 459 A CA 2.373 54.258 52.037 -0.253 0.000 0.645 459 A CB 0.452 19.259 19.000 -0.322 0.000 0.816 459 A HN 0.873 9.001 8.150 -0.036 0.000 0.447 460 G N -4.059 104.703 108.800 -0.063 0.000 2.795 460 G HA2 0.404 nan 3.960 nan 0.000 0.267 460 G HA3 0.404 nan 3.960 nan 0.000 0.267 460 G C -1.258 173.648 174.900 0.009 0.000 1.362 460 G CA -1.812 43.304 45.100 0.027 0.000 1.048 460 G HN -0.534 7.735 8.290 -0.035 0.000 0.547 461 S N 0.973 116.695 115.700 0.037 0.000 2.558 461 S HA -0.309 nan 4.470 nan 0.000 0.291 461 S C 1.875 176.526 174.600 0.085 0.000 1.306 461 S CA 1.671 59.917 58.200 0.077 0.000 1.056 461 S CB 0.137 63.433 63.200 0.158 0.000 0.836 461 S HN 0.204 8.921 8.310 0.030 -0.389 0.504 462 G N 2.891 111.741 108.800 0.083 0.000 2.403 462 G HA2 -0.150 nan 3.960 nan 0.000 0.216 462 G HA3 -0.150 nan 3.960 nan 0.000 0.216 462 G C -1.924 173.066 174.900 0.149 0.000 1.154 462 G CA 1.109 46.265 45.100 0.092 0.000 0.784 462 G HN 0.508 8.746 8.290 0.072 0.095 0.538 463 A N -1.812 121.098 122.820 0.150 0.000 2.427 463 A HA 0.619 nan 4.320 nan 0.000 0.298 463 A C -3.118 174.587 177.584 0.200 0.000 1.036 463 A CA -0.744 51.407 52.037 0.191 0.000 0.701 463 A CB 2.393 21.469 19.000 0.128 0.000 1.250 463 A HN -0.567 7.657 8.150 0.124 0.000 0.412 464 Y N 4.815 125.146 120.300 0.052 0.000 2.426 464 Y HA 0.519 nan 4.550 nan 0.000 0.325 464 Y C -2.755 173.149 175.900 0.007 0.000 0.989 464 Y CA -1.819 56.322 58.100 0.068 0.000 1.284 464 Y CB 2.362 40.853 38.460 0.051 0.000 1.104 464 Y HN 0.521 8.938 8.280 0.230 0.000 0.481 465 L N 6.540 127.608 121.223 -0.258 0.000 2.295 465 L HA 0.438 nan 4.340 nan 0.000 0.281 465 L C -1.151 175.529 176.870 -0.316 0.000 1.018 465 L CA -1.023 53.676 54.840 -0.235 0.000 0.841 465 L CB 0.755 42.643 42.059 -0.284 0.000 1.218 465 L HN 1.073 8.992 8.230 -0.341 0.107 0.424 466 L N 4.893 125.990 121.223 -0.209 0.000 2.865 466 L HA 0.252 nan 4.340 nan 0.000 0.233 466 L C -1.227 175.602 176.870 -0.068 0.000 1.320 466 L CA -0.883 53.828 54.840 -0.216 0.000 1.225 466 L CB -2.444 39.404 42.059 -0.351 0.000 1.542 466 L HN 0.263 8.415 8.230 -0.130 0.000 0.432 467 T N -2.750 111.791 114.554 -0.020 0.000 2.940 467 T HA 0.591 nan 4.350 nan 0.000 0.288 467 T C -1.942 172.834 174.700 0.127 0.000 1.033 467 T CA -2.717 59.438 62.100 0.090 0.000 1.033 467 T CB 2.538 71.532 68.868 0.210 0.000 1.079 467 T HN -0.586 7.529 8.240 -0.087 0.072 0.496 468 H N 0.890 119.961 119.070 0.001 0.000 2.806 468 H HA 0.252 nan 4.556 nan 0.000 0.367 468 H C -1.050 174.254 175.328 -0.040 0.000 1.136 468 H CA -1.255 54.784 56.048 -0.016 0.000 1.178 468 H CB 3.135 32.897 29.762 -0.001 0.000 1.718 468 H HN 0.040 8.401 8.280 0.134 0.000 0.540 469 E N 3.430 123.312 120.200 -0.531 0.000 2.328 469 E HA -0.454 nan 4.350 nan 0.000 0.233 469 E C -1.675 174.743 176.600 -0.303 0.000 1.219 469 E CA 1.603 57.747 56.400 -0.425 0.000 0.717 469 E CB -2.204 27.230 29.700 -0.443 0.000 1.210 469 E HN 0.027 7.921 8.360 -0.614 0.097 0.381 470 S N -3.141 112.399 115.700 -0.266 0.000 2.600 470 S HA 0.468 nan 4.470 nan 0.000 0.300 470 S C -1.944 172.372 174.600 -0.475 0.000 1.087 470 S CA -0.861 57.093 58.200 -0.410 0.000 0.965 470 S CB 3.349 66.332 63.200 -0.360 0.000 1.089 470 S HN -0.734 7.464 8.310 -0.181 0.003 0.496 471 V N 0.893 120.363 119.914 -0.739 0.000 2.495 471 V HA 0.773 nan 4.120 nan 0.000 0.298 471 V C -1.611 174.080 176.094 -0.671 0.000 1.031 471 V CA -0.933 61.042 62.300 -0.542 0.000 0.871 471 V CB 2.063 33.592 31.823 -0.490 0.000 0.988 471 V HN 0.683 8.334 8.190 -0.897 0.000 0.432 472 F N 5.927 125.832 119.950 -0.075 0.000 2.477 472 F HA 0.611 nan 4.527 nan 0.000 0.335 472 F C -1.362 174.420 175.800 -0.030 0.000 1.130 472 F CA -1.828 56.146 58.000 -0.042 0.000 0.948 472 F CB 2.696 41.669 39.000 -0.044 0.000 1.154 472 F HN 0.909 9.252 8.300 0.072 0.000 0.439 473 T N 6.753 121.367 114.554 0.100 0.000 2.807 473 T HA 0.454 nan 4.350 nan 0.000 0.279 473 T C -0.976 173.748 174.700 0.039 0.000 0.993 473 T CA -0.791 61.346 62.100 0.061 0.000 0.970 473 T CB 1.386 70.280 68.868 0.044 0.000 0.950 473 T HN 0.992 9.277 8.240 0.075 0.000 0.441 474 N N 5.435 124.150 118.700 0.025 0.000 2.648 474 N HA -0.450 nan 4.740 nan 0.000 0.265 474 N C -1.476 174.028 175.510 -0.010 0.000 1.100 474 N CA 1.120 54.172 53.050 0.004 0.000 0.715 474 N CB -0.636 37.849 38.487 -0.004 0.000 0.881 474 N HN 0.515 8.913 8.380 0.029 0.000 0.548 475 I N -1.532 119.033 120.570 -0.008 0.000 2.412 475 I HA 0.539 nan 4.170 nan 0.000 0.296 475 I C -1.898 174.197 176.117 -0.036 0.000 0.987 475 I CA -2.131 59.147 61.300 -0.035 0.000 1.180 475 I CB 0.555 38.535 38.000 -0.034 0.000 1.340 475 I HN -0.022 8.191 8.210 0.004 0.000 0.455 476 A N 8.040 130.833 122.820 -0.043 0.000 2.332 476 A HA 0.745 nan 4.320 nan 0.000 0.300 476 A C -2.174 175.395 177.584 -0.025 0.000 1.153 476 A CA -1.153 50.867 52.037 -0.028 0.000 0.764 476 A CB 2.324 21.310 19.000 -0.023 0.000 1.174 476 A HN 1.115 9.228 8.150 -0.060 0.000 0.467 477 I N 4.773 125.333 120.570 -0.016 0.000 2.405 477 I HA 0.669 nan 4.170 nan 0.000 0.280 477 I C -1.995 174.122 176.117 0.000 0.000 1.027 477 I CA -1.799 59.499 61.300 -0.004 0.000 1.161 477 I CB 0.537 38.535 38.000 -0.004 0.000 1.300 477 I HN 0.681 8.881 8.210 -0.017 0.000 0.463 478 I N 7.092 127.664 120.570 0.004 0.000 2.354 478 I HA 0.204 nan 4.170 nan 0.000 0.286 478 I C -1.348 174.774 176.117 0.008 0.000 1.007 478 I CA -2.260 59.042 61.300 0.005 0.000 1.167 478 I CB 0.173 38.175 38.000 0.004 0.000 1.320 478 I HN 1.018 9.232 8.210 0.006 0.000 0.458 479 D N 3.976 124.381 120.400 0.007 0.000 2.956 479 D HA -0.365 nan 4.640 nan 0.000 0.240 479 D C -1.483 174.820 176.300 0.005 0.000 1.141 479 D CA 1.418 55.422 54.000 0.007 0.000 0.820 479 D CB -1.365 39.442 40.800 0.011 0.000 0.988 479 D HN 0.651 9.024 8.370 0.006 0.000 0.417 480 T N -6.118 108.437 114.554 0.001 0.000 2.910 480 T HA 0.356 nan 4.350 nan 0.000 0.287 480 T C -0.312 174.373 174.700 -0.025 0.000 1.050 480 T CA -2.774 59.324 62.100 -0.004 0.000 1.011 480 T CB 3.370 72.247 68.868 0.016 0.000 1.195 480 T HN -0.395 7.846 8.240 0.002 0.000 0.540 481 N N -1.209 117.463 118.700 -0.046 0.000 2.708 481 N HA -0.288 nan 4.740 nan 0.000 0.249 481 N C 1.945 177.377 175.510 -0.130 0.000 1.097 481 N CA 1.150 54.151 53.050 -0.083 0.000 0.710 481 N CB -0.194 38.274 38.487 -0.032 0.000 1.032 481 N HN 0.256 8.547 8.380 -0.037 0.067 0.551 482 T N -5.917 108.553 114.554 -0.140 0.000 3.007 482 T HA -0.198 nan 4.350 nan 0.000 0.270 482 T C 0.971 175.545 174.700 -0.210 0.000 1.107 482 T CA 2.438 64.461 62.100 -0.128 0.000 1.118 482 T CB -0.201 68.624 68.868 -0.072 0.000 0.889 482 T HN -0.051 8.097 8.240 -0.122 0.018 0.506 483 K N -0.929 119.219 120.400 -0.420 0.000 2.399 483 K HA 0.165 nan 4.320 nan 0.000 0.204 483 K C -0.605 175.700 176.600 -0.493 0.000 1.023 483 K CA -1.250 54.681 56.287 -0.593 0.000 1.127 483 K CB 0.696 32.480 32.500 -1.193 0.000 0.856 483 K HN -0.612 7.303 8.250 -0.496 0.038 0.514 484 D N -1.593 118.641 120.400 -0.276 0.000 2.811 484 D HA -0.348 nan 4.640 nan 0.000 0.231 484 D C 0.232 176.568 176.300 0.060 0.000 1.157 484 D CA 1.870 55.818 54.000 -0.086 0.000 0.716 484 D CB -1.255 39.525 40.800 -0.033 0.000 1.077 484 D HN -0.309 7.737 8.370 -0.249 0.175 0.428 485 F N -2.256 117.645 119.950 -0.081 0.000 2.234 485 F HA -0.156 nan 4.527 nan 0.000 0.299 485 F C 0.857 176.588 175.800 -0.115 0.000 1.087 485 F CA 1.716 59.645 58.000 -0.119 0.000 1.340 485 F CB 0.279 39.177 39.000 -0.170 0.000 1.031 485 F HN -0.247 7.968 8.300 -0.188 -0.028 0.500 486 Q N -2.476 117.383 119.800 0.097 0.000 2.486 486 Q HA 0.132 nan 4.340 nan 0.000 0.274 486 Q C -0.183 175.828 176.000 0.018 0.000 1.076 486 Q CA -0.826 54.992 55.803 0.025 0.000 0.872 486 Q CB 2.318 31.068 28.738 0.019 0.000 1.383 486 Q HN -0.327 8.318 8.270 0.080 -0.327 0.478 487 A N -0.613 122.209 122.820 0.004 0.000 2.123 487 A HA 0.095 nan 4.320 nan 0.000 0.214 487 A C -1.423 176.173 177.584 0.019 0.000 1.152 487 A CA 0.899 52.937 52.037 0.001 0.000 0.728 487 A CB 0.430 19.414 19.000 -0.027 0.000 0.814 487 A HN 0.715 8.862 8.150 -0.005 0.000 0.464 488 N N -6.626 112.098 118.700 0.041 0.000 3.020 488 N HA 0.152 nan 4.740 nan 0.000 0.248 488 N C -0.521 175.027 175.510 0.063 0.000 1.480 488 N CA -0.491 52.592 53.050 0.054 0.000 0.874 488 N CB 1.375 39.910 38.487 0.080 0.000 1.433 488 N HN -0.720 7.648 8.380 0.050 0.042 0.530 489 Q N -1.184 118.646 119.800 0.050 0.000 2.163 489 Q HA 0.085 nan 4.340 nan 0.000 0.198 489 Q C -0.150 175.889 176.000 0.064 0.000 0.954 489 Q CA 3.126 58.956 55.803 0.045 0.000 0.851 489 Q CB 1.831 30.583 28.738 0.023 0.000 0.928 489 Q HN 0.202 8.393 8.270 0.042 0.104 0.459 490 I N -4.235 116.371 120.570 0.059 0.000 2.534 490 I HA 0.454 nan 4.170 nan 0.000 0.288 490 I C -3.091 173.066 176.117 0.068 0.000 1.077 490 I CA -1.270 60.057 61.300 0.045 0.000 1.051 490 I CB 3.137 41.120 38.000 -0.028 0.000 1.234 490 I HN -0.185 8.055 8.210 0.050 0.000 0.425 491 Y N 8.962 129.203 120.300 -0.097 0.000 2.364 491 Y HA 0.743 nan 4.550 nan 0.000 0.340 491 Y C -2.709 173.024 175.900 -0.278 0.000 0.975 491 Y CA -2.335 55.656 58.100 -0.182 0.000 1.089 491 Y CB 3.455 41.776 38.460 -0.231 0.000 1.192 491 Y HN 0.389 8.735 8.280 0.110 0.000 0.454 492 I N 6.680 126.673 120.570 -0.962 0.000 2.478 492 I HA 0.246 nan 4.170 nan 0.000 0.287 492 I C -1.148 174.371 176.117 -0.996 0.000 1.042 492 I CA -1.003 59.804 61.300 -0.821 0.000 1.067 492 I CB 2.429 40.166 38.000 -0.439 0.000 1.233 492 I HN 0.072 7.791 8.210 -0.819 0.000 0.431 493 S N 7.322 122.500 115.700 -0.871 0.000 2.356 493 S HA 0.022 nan 4.470 nan 0.000 0.219 493 S C 0.836 175.316 174.600 -0.200 0.000 1.036 493 S CA 1.894 59.793 58.200 -0.502 0.000 0.965 493 S CB 0.664 63.715 63.200 -0.250 0.000 0.864 493 S HN 0.465 8.334 8.310 -0.736 0.000 0.471 494 G N 0.082 108.824 108.800 -0.097 0.000 2.535 494 G HA2 0.097 nan 3.960 nan 0.000 0.282 494 G HA3 0.097 nan 3.960 nan 0.000 0.282 494 G C -1.566 173.409 174.900 0.125 0.000 1.350 494 G CA -1.260 43.897 45.100 0.096 0.000 1.039 494 G HN -0.623 7.596 8.290 -0.120 0.000 0.509 495 A N -0.908 122.090 122.820 0.296 0.000 2.671 495 A HA 0.192 nan 4.320 nan 0.000 0.306 495 A C -1.031 176.529 177.584 -0.040 0.000 1.473 495 A CA -0.242 51.842 52.037 0.078 0.000 1.155 495 A CB -0.787 18.262 19.000 0.081 0.000 1.123 495 A HN -0.280 8.342 8.150 0.786 0.000 0.545 496 C N 2.899 122.193 119.300 -0.011 0.000 2.668 496 C HA 0.763 nan 4.460 nan 0.000 0.355 496 C C -1.318 173.676 174.990 0.006 0.000 1.277 496 C CA -1.502 57.519 59.018 0.006 0.000 1.787 496 C CB 4.388 32.216 27.740 0.146 0.000 2.233 496 C HN -0.171 8.056 8.230 -0.005 0.000 0.495 497 R N -1.058 119.455 120.500 0.022 0.000 2.480 497 R HA 0.748 nan 4.340 nan 0.000 0.306 497 R C -1.975 174.380 176.300 0.092 0.000 0.958 497 R CA -1.822 54.286 56.100 0.015 0.000 0.861 497 R CB 1.710 31.985 30.300 -0.041 0.000 1.171 497 R HN 0.610 8.888 8.270 0.014 0.000 0.445 498 V N 4.510 124.465 119.914 0.069 0.000 2.409 498 V HA 0.459 nan 4.120 nan 0.000 0.291 498 V C -1.878 174.242 176.094 0.044 0.000 1.020 498 V CA -1.028 61.326 62.300 0.090 0.000 0.848 498 V CB 1.789 33.633 31.823 0.035 0.000 0.990 498 V HN 0.659 8.868 8.190 0.030 0.000 0.430 499 N N 7.147 125.877 118.700 0.051 0.000 2.626 499 N HA 0.457 nan 4.740 nan 0.000 0.249 499 N C -1.371 174.154 175.510 0.025 0.000 1.021 499 N CA -1.533 51.533 53.050 0.028 0.000 0.886 499 N CB 1.901 40.403 38.487 0.026 0.000 1.149 499 N HN 0.822 9.249 8.380 0.078 0.000 0.517 500 G N 6.059 114.867 108.800 0.013 0.000 3.251 500 G HA2 -0.369 nan 3.960 nan 0.000 0.680 500 G HA3 -0.369 nan 3.960 nan 0.000 0.680 500 G C -3.268 171.634 174.900 0.004 0.000 1.129 500 G CA 0.107 45.211 45.100 0.007 0.000 0.994 500 G HN 0.743 9.038 8.290 0.008 0.000 0.450 501 L N 4.345 125.565 121.223 -0.005 0.000 2.446 501 L HA 0.673 nan 4.340 nan 0.000 0.268 501 L C -2.196 174.666 176.870 -0.014 0.000 0.975 501 L CA -0.915 53.917 54.840 -0.014 0.000 0.848 501 L CB 2.976 45.021 42.059 -0.023 0.000 1.225 501 L HN -0.096 8.131 8.230 -0.006 0.000 0.410 502 R N 6.224 126.716 120.500 -0.014 0.000 2.265 502 R HA 0.776 nan 4.340 nan 0.000 0.319 502 R C -1.564 174.730 176.300 -0.010 0.000 1.006 502 R CA -1.001 55.092 56.100 -0.010 0.000 0.880 502 R CB 1.424 31.718 30.300 -0.010 0.000 1.077 502 R HN 0.802 9.062 8.270 -0.017 0.000 0.454 503 L N 3.757 124.976 121.223 -0.006 0.000 2.370 503 L HA 0.777 nan 4.340 nan 0.000 0.266 503 L C -1.545 175.326 176.870 0.001 0.000 1.002 503 L CA -0.621 54.216 54.840 -0.004 0.000 0.818 503 L CB 3.690 45.747 42.059 -0.004 0.000 1.325 503 L HN 0.423 8.651 8.230 -0.005 0.000 0.418 504 I N -2.750 117.822 120.570 0.003 0.000 8.362 504 I HA -0.371 nan 4.170 nan 0.000 0.126 504 I C -0.653 175.467 176.117 0.005 0.000 1.855 504 I CA 0.639 61.942 61.300 0.006 0.000 2.037 504 I CB -1.090 36.915 38.000 0.009 0.000 3.817 504 I HN -0.125 8.086 8.210 0.002 0.000 0.169 505 G N 5.072 113.876 108.800 0.006 0.000 2.968 505 G HA2 0.367 nan 3.960 nan 0.000 0.206 505 G HA3 0.367 nan 3.960 nan 0.000 0.206 505 G C -1.291 173.613 174.900 0.008 0.000 2.051 505 G CA 0.040 45.144 45.100 0.006 0.000 0.773 505 G HN 0.242 8.767 8.290 0.007 -0.231 0.741 506 I N -0.014 120.561 120.570 0.009 0.000 4.154 506 I HA 0.279 nan 4.170 nan 0.000 0.334 506 I C -0.078 176.046 176.117 0.011 0.000 1.371 506 I CA -1.256 60.050 61.300 0.010 0.000 1.110 506 I CB 1.326 39.333 38.000 0.010 0.000 1.085 506 I HN -0.308 8.324 8.210 0.011 -0.416 0.398 515 T N 2.943 117.510 114.554 0.023 0.000 2.814 515 T HA 0.098 nan 4.350 nan 0.000 0.254 515 T C -0.875 173.837 174.700 0.019 0.000 1.037 515 T CA 3.504 65.615 62.100 0.018 0.000 1.143 515 T CB 1.158 70.034 68.868 0.013 0.000 0.866 515 T HN 0.452 8.592 8.240 0.023 0.113 0.431 516 I N -0.562 120.016 120.570 0.012 0.000 2.466 516 I HA 0.495 nan 4.170 nan 0.000 0.289 516 I C -3.448 172.678 176.117 0.014 0.000 1.026 516 I CA -1.666 59.636 61.300 0.004 0.000 1.078 516 I CB 2.902 40.885 38.000 -0.027 0.000 1.249 516 I HN -0.681 7.535 8.210 0.010 0.000 0.429 517 D N 9.704 130.130 120.400 0.044 0.000 2.440 517 D HA 0.483 nan 4.640 nan 0.000 0.252 517 D C -2.556 173.752 176.300 0.013 0.000 1.180 517 D CA -0.969 53.074 54.000 0.072 0.000 0.894 517 D CB 2.194 43.091 40.800 0.162 0.000 1.111 517 D HN 0.489 8.894 8.370 0.058 0.000 0.544 518 A N 5.688 128.472 122.820 -0.061 0.000 3.266 518 A HA 0.548 nan 4.320 nan 0.000 0.310 518 A C -2.192 175.340 177.584 -0.087 0.000 1.066 518 A CA -2.259 49.690 52.037 -0.146 0.000 0.839 518 A CB -0.291 18.618 19.000 -0.153 0.000 1.192 518 A HN 0.801 8.927 8.150 -0.040 0.000 0.496 519 P HA -0.257 nan 4.420 nan 0.000 0.217 519 P C -0.495 176.789 177.300 -0.028 0.000 1.148 519 P CA 2.377 65.463 63.100 -0.023 0.000 0.834 519 P CB -0.008 31.696 31.700 0.007 0.000 0.783 520 N N -5.671 113.005 118.700 -0.040 0.000 2.187 520 N HA 0.142 nan 4.740 nan 0.000 0.212 520 N C -1.030 174.468 175.510 -0.022 0.000 1.152 520 N CA -0.308 52.731 53.050 -0.018 0.000 0.872 520 N CB 1.249 39.739 38.487 0.005 0.000 1.025 520 N HN 0.315 8.621 8.380 -0.067 0.034 0.514 521 S N 1.121 116.796 115.700 -0.043 0.000 2.608 521 S HA 0.284 nan 4.470 nan 0.000 0.291 521 S C -1.451 173.127 174.600 -0.036 0.000 1.146 521 S CA 0.097 58.273 58.200 -0.039 0.000 1.043 521 S CB 2.559 65.726 63.200 -0.055 0.000 1.037 521 S HN -0.419 7.695 8.310 -0.058 0.161 0.520 522 T N 4.882 119.420 114.554 -0.027 0.000 2.771 522 T HA 0.585 nan 4.350 nan 0.000 0.281 522 T C -1.617 173.070 174.700 -0.021 0.000 0.982 522 T CA -0.042 62.042 62.100 -0.026 0.000 0.978 522 T CB 0.933 69.787 68.868 -0.023 0.000 0.930 522 T HN 0.168 8.394 8.240 -0.022 0.000 0.447 523 V N 6.677 126.575 119.914 -0.027 0.000 2.823 523 V HA 0.905 nan 4.120 nan 0.000 0.312 523 V C -2.072 174.011 176.094 -0.020 0.000 1.072 523 V CA -1.656 60.631 62.300 -0.022 0.000 0.937 523 V CB 3.720 35.521 31.823 -0.035 0.000 1.013 523 V HN 0.956 9.127 8.190 -0.033 0.000 0.430 524 S N 1.326 117.019 115.700 -0.012 0.000 2.541 524 S HA 0.519 nan 4.470 nan 0.000 0.271 524 S C -0.954 173.642 174.600 -0.007 0.000 1.133 524 S CA -1.198 56.996 58.200 -0.010 0.000 0.876 524 S CB 2.525 65.722 63.200 -0.006 0.000 1.105 524 S HN 0.320 8.626 8.310 -0.007 0.000 0.470 525 G N 5.783 114.579 108.800 -0.007 0.000 2.248 525 G HA2 -0.393 nan 3.960 nan 0.000 0.263 525 G HA3 -0.393 nan 3.960 nan 0.000 0.263 525 G C -0.894 174.002 174.900 -0.006 0.000 1.082 525 G CA 0.230 45.328 45.100 -0.005 0.000 0.863 525 G HN 0.170 8.870 8.290 -0.009 -0.415 0.495 526 I N -0.368 120.196 120.570 -0.009 0.000 2.474 526 I HA 0.200 nan 4.170 nan 0.000 0.287 526 I C 0.071 176.185 176.117 -0.004 0.000 1.048 526 I CA 0.607 61.902 61.300 -0.009 0.000 1.383 526 I CB 0.444 38.435 38.000 -0.014 0.000 1.412 526 I HN -0.194 8.009 8.210 -0.011 0.000 0.531 527 T N 4.341 118.893 114.554 -0.003 0.000 2.893 527 T HA 0.476 nan 4.350 nan 0.000 0.291 527 T C -1.272 173.429 174.700 0.001 0.000 1.028 527 T CA -1.901 60.200 62.100 0.001 0.000 0.995 527 T CB 2.623 71.491 68.868 -0.000 0.000 1.051 527 T HN 0.650 8.887 8.240 -0.005 0.000 0.470 528 G N 1.701 110.504 108.800 0.006 0.000 2.406 528 G HA2 -0.122 nan 3.960 nan 0.000 0.680 528 G HA3 -0.122 nan 3.960 nan 0.000 0.680 528 G C -0.474 174.434 174.900 0.013 0.000 1.338 528 G CA -0.198 44.906 45.100 0.007 0.000 0.941 528 G HN 0.008 8.302 8.290 0.008 0.000 0.633 529 M N 0.968 120.577 119.600 0.016 0.000 3.700 529 M HA 0.065 nan 4.480 nan 0.000 0.190 529 M C -0.264 176.049 176.300 0.022 0.000 1.422 529 M CA -1.273 54.041 55.300 0.023 0.000 1.646 529 M CB -2.684 29.931 32.600 0.025 0.000 1.154 529 M HN 0.345 8.643 8.290 0.013 0.000 0.506 530 V N 0.874 120.800 119.914 0.019 0.000 2.811 530 V HA 0.004 nan 4.120 nan 0.000 0.302 530 V C -0.284 175.826 176.094 0.026 0.000 1.063 530 V CA 0.295 62.606 62.300 0.019 0.000 1.088 530 V CB 1.563 33.394 31.823 0.014 0.000 0.982 530 V HN -0.351 7.759 8.190 0.017 0.090 0.485 531 D N 6.797 127.214 120.400 0.028 0.000 2.339 531 D HA 0.258 nan 4.640 nan 0.000 0.241 531 D C -0.636 175.693 176.300 0.049 0.000 1.183 531 D CA -3.148 50.872 54.000 0.034 0.000 0.859 531 D CB 0.732 41.549 40.800 0.029 0.000 1.067 531 D HN 0.004 8.389 8.370 0.024 0.000 0.484 532 P HA -0.174 nan 4.420 nan 0.000 0.218 532 P C 0.815 178.234 177.300 0.198 0.000 1.146 532 P CA 1.840 65.016 63.100 0.125 0.000 0.813 532 P CB 0.221 31.996 31.700 0.125 0.000 0.778 533 S N -1.427 114.342 115.700 0.114 0.000 2.515 533 S HA -0.160 nan 4.470 nan 0.000 0.231 533 S C 1.092 175.748 174.600 0.094 0.000 0.987 533 S CA 2.321 60.583 58.200 0.104 0.000 0.936 533 S CB -0.226 62.997 63.200 0.039 0.000 0.766 533 S HN -0.238 8.351 8.310 0.070 -0.237 0.528 534 R N -0.525 120.018 120.500 0.072 0.000 2.466 534 R HA 0.182 nan 4.340 nan 0.000 0.279 534 R C -1.506 174.814 176.300 0.033 0.000 0.976 534 R CA -0.642 55.486 56.100 0.046 0.000 1.081 534 R CB 0.434 30.753 30.300 0.033 0.000 1.215 534 R HN -0.149 7.987 8.270 0.070 0.177 0.546 535 I N 0.463 121.052 120.570 0.031 0.000 2.378 535 I HA 0.233 nan 4.170 nan 0.000 0.291 535 I C -2.477 173.605 176.117 -0.059 0.000 0.992 535 I CA -0.883 60.402 61.300 -0.026 0.000 1.154 535 I CB 1.792 39.751 38.000 -0.068 0.000 1.315 535 I HN -0.648 7.527 8.210 0.071 0.077 0.448 536 N N 7.340 126.011 118.700 -0.049 0.000 2.519 536 N HA 0.376 nan 4.740 nan 0.000 0.286 536 N C -2.600 172.874 175.510 -0.059 0.000 1.079 536 N CA -0.980 52.040 53.050 -0.050 0.000 0.878 536 N CB 2.296 40.782 38.487 -0.002 0.000 1.375 536 N HN 0.189 8.550 8.380 -0.032 0.000 0.514 537 V N -1.595 118.269 119.914 -0.083 0.000 3.182 537 V HA 0.745 nan 4.120 nan 0.000 0.308 537 V C -1.843 174.214 176.094 -0.061 0.000 1.240 537 V CA -3.122 59.135 62.300 -0.072 0.000 1.063 537 V CB 3.774 35.549 31.823 -0.080 0.000 1.076 537 V HN -0.108 8.016 8.190 -0.111 0.000 0.446 538 A N -0.361 122.431 122.820 -0.047 0.000 1.898 538 A HA 0.048 nan 4.320 nan 0.000 0.214 538 A C -0.178 177.385 177.584 -0.036 0.000 1.183 538 A CA 1.508 53.525 52.037 -0.033 0.000 0.622 538 A CB 1.366 20.352 19.000 -0.023 0.000 0.824 538 A HN 0.521 8.642 8.150 -0.048 0.000 0.444 539 N N -3.552 115.123 118.700 -0.041 0.000 2.371 539 N HA 0.159 nan 4.740 nan 0.000 0.280 539 N C -2.983 172.500 175.510 -0.044 0.000 1.084 539 N CA -0.034 52.993 53.050 -0.038 0.000 0.892 539 N CB 3.401 41.873 38.487 -0.025 0.000 1.653 539 N HN -0.645 7.708 8.380 -0.044 0.000 0.480 540 L N 4.035 125.230 121.223 -0.047 0.000 2.406 540 L HA 0.781 nan 4.340 nan 0.000 0.272 540 L C -2.140 174.712 176.870 -0.030 0.000 0.980 540 L CA -0.841 53.972 54.840 -0.046 0.000 0.831 540 L CB 1.768 43.786 42.059 -0.069 0.000 1.253 540 L HN 0.190 8.393 8.230 -0.045 0.000 0.406 541 A N 7.436 130.242 122.820 -0.022 0.000 2.589 541 A HA 0.466 nan 4.320 nan 0.000 0.296 541 A C -2.052 175.525 177.584 -0.012 0.000 1.062 541 A CA 0.063 52.091 52.037 -0.016 0.000 0.686 541 A CB 3.081 22.073 19.000 -0.014 0.000 1.282 541 A HN 0.284 8.421 8.150 -0.023 0.000 0.404 542 E N 1.721 121.915 120.200 -0.010 0.000 2.683 542 E HA 0.160 nan 4.350 nan 0.000 0.224 542 E C 0.230 176.825 176.600 -0.007 0.000 1.046 542 E CA -1.174 55.221 56.400 -0.008 0.000 0.811 542 E CB -0.729 28.966 29.700 -0.007 0.000 1.296 542 E HN 0.348 8.701 8.360 -0.010 0.000 0.421 543 E N 2.794 122.989 120.200 -0.007 0.000 2.152 543 E HA -0.069 nan 4.350 nan 0.000 0.192 543 E C 0.680 177.277 176.600 -0.006 0.000 0.983 543 E CA 1.573 57.969 56.400 -0.006 0.000 0.818 543 E CB -0.083 29.613 29.700 -0.006 0.000 0.758 543 E HN 0.429 8.784 8.360 -0.007 0.000 0.467 544 G N -1.382 107.415 108.800 -0.005 0.000 4.433 544 G HA2 0.065 nan 3.960 nan 0.000 0.304 544 G HA3 0.065 nan 3.960 nan 0.000 0.304 544 G C -0.772 174.126 174.900 -0.004 0.000 1.254 544 G CA -0.071 45.026 45.100 -0.004 0.000 0.999 544 G HN 0.074 8.361 8.290 -0.005 0.000 0.576 545 L N 0.072 121.293 121.223 -0.004 0.000 2.456 545 L HA 0.214 nan 4.340 nan 0.000 0.257 545 L C 0.735 177.603 176.870 -0.004 0.000 1.162 545 L CA -0.411 54.427 54.840 -0.004 0.000 0.808 545 L CB 0.709 42.765 42.059 -0.004 0.000 1.136 545 L HN -0.358 7.869 8.230 -0.005 0.000 0.466 546 G N 0.155 108.954 108.800 -0.003 0.000 2.695 546 G HA2 0.080 nan 3.960 nan 0.000 0.213 546 G HA3 0.080 nan 3.960 nan 0.000 0.213 546 G C -1.104 173.794 174.900 -0.003 0.000 1.406 546 G CA -0.601 44.497 45.100 -0.002 0.000 1.049 546 G HN 0.247 8.536 8.290 -0.002 0.000 0.573 547 N N 0.177 118.875 118.700 -0.003 0.000 2.454 547 N HA -0.059 nan 4.740 nan 0.000 0.254 547 N C -0.464 175.044 175.510 -0.003 0.000 1.228 547 N CA 0.680 53.728 53.050 -0.004 0.000 0.900 547 N CB 0.901 39.386 38.487 -0.003 0.000 1.089 547 N HN -0.012 8.367 8.380 -0.002 0.000 0.449 548 I N 1.273 121.840 120.570 -0.006 0.000 2.603 548 I HA 0.178 nan 4.170 nan 0.000 0.300 548 I C -0.401 175.711 176.117 -0.008 0.000 1.017 548 I CA -0.624 60.673 61.300 -0.006 0.000 1.098 548 I CB 1.484 39.478 38.000 -0.010 0.000 1.279 548 I HN 0.057 8.262 8.210 -0.008 0.000 0.437 549 R N 6.485 126.983 120.500 -0.003 0.000 2.532 549 R HA 0.210 nan 4.340 nan 0.000 0.297 549 R C -1.497 174.802 176.300 -0.002 0.000 0.984 549 R CA -0.258 55.839 56.100 -0.006 0.000 0.884 549 R CB 1.850 32.149 30.300 -0.002 0.000 1.182 549 R HN 0.267 8.538 8.270 0.002 0.000 0.442 550 A N 5.014 127.825 122.820 -0.015 0.000 2.252 550 A HA 0.180 nan 4.320 nan 0.000 0.309 550 A C -0.654 176.920 177.584 -0.017 0.000 1.285 550 A CA -0.663 51.367 52.037 -0.010 0.000 0.900 550 A CB 0.585 19.566 19.000 -0.032 0.000 1.157 550 A HN 0.312 8.446 8.150 -0.026 0.000 0.536 551 N N 3.408 122.117 118.700 0.015 0.000 2.437 551 N HA 0.074 nan 4.740 nan 0.000 0.259 551 N C -1.226 174.265 175.510 -0.031 0.000 0.983 551 N CA -0.016 53.012 53.050 -0.037 0.000 0.937 551 N CB 1.495 40.023 38.487 0.068 0.000 1.122 551 N HN 0.278 8.690 8.380 0.053 0.000 0.499 552 S N 3.002 118.604 115.700 -0.163 0.000 2.442 552 S HA 0.126 nan 4.470 nan 0.000 0.297 552 S C -0.824 173.615 174.600 -0.267 0.000 1.131 552 S CA -0.322 57.852 58.200 -0.044 0.000 1.092 552 S CB 0.742 63.965 63.200 0.039 0.000 0.998 552 S HN 0.211 8.392 8.310 -0.215 0.000 0.478 553 F N 4.542 124.518 119.950 0.044 0.000 2.495 553 F HA 0.163 nan 4.527 nan 0.000 0.327 553 F C 0.854 176.512 175.800 -0.238 0.000 1.103 553 F CA 0.026 57.991 58.000 -0.057 0.000 0.949 553 F CB 1.562 40.527 39.000 -0.058 0.000 1.142 553 F HN 0.263 8.763 8.300 0.334 0.000 0.457 554 G N 2.175 110.930 108.800 -0.076 0.000 2.184 554 G HA2 -0.425 nan 3.960 nan 0.000 0.264 554 G HA3 -0.425 nan 3.960 nan 0.000 0.264 554 G C -1.349 173.309 174.900 -0.403 0.000 0.975 554 G CA 0.567 45.496 45.100 -0.284 0.000 0.642 554 G HN 0.507 8.805 8.290 0.014 0.000 0.536 555 Y N -1.589 118.736 120.300 0.040 0.000 2.602 555 Y HA 0.312 nan 4.550 nan 0.000 0.342 555 Y C -0.684 175.223 175.900 0.011 0.000 1.029 555 Y CA -2.465 55.653 58.100 0.030 0.000 1.080 555 Y CB 1.444 39.926 38.460 0.037 0.000 1.284 555 Y HN -0.628 7.580 8.280 -0.023 0.058 0.485 556 D N 1.113 121.643 120.400 0.218 0.000 2.340 556 D HA 0.103 nan 4.640 nan 0.000 0.220 556 D C -1.168 175.192 176.300 0.100 0.000 1.039 556 D CA 0.934 55.008 54.000 0.123 0.000 0.866 556 D CB -0.007 40.859 40.800 0.111 0.000 0.913 556 D HN 0.361 8.891 8.370 0.266 0.000 0.523 557 S N -3.920 111.842 115.700 0.104 0.000 2.607 557 S HA 0.641 nan 4.470 nan 0.000 0.273 557 S C -2.443 172.151 174.600 -0.010 0.000 1.148 557 S CA -1.153 57.034 58.200 -0.021 0.000 0.833 557 S CB 3.251 66.410 63.200 -0.068 0.000 1.130 557 S HN -0.572 7.776 8.310 0.187 0.074 0.470 558 A N -1.576 121.194 122.820 -0.084 0.000 2.380 558 A HA 0.601 nan 4.320 nan 0.000 0.315 558 A C -2.561 174.966 177.584 -0.094 0.000 1.101 558 A CA -1.697 50.303 52.037 -0.062 0.000 0.771 558 A CB 2.520 21.471 19.000 -0.081 0.000 1.287 558 A HN 0.524 8.572 8.150 -0.170 0.000 0.436 559 A N 0.722 123.471 122.820 -0.119 0.000 2.574 559 A HA 0.910 nan 4.320 nan 0.000 0.297 559 A C -1.494 175.950 177.584 -0.232 0.000 1.062 559 A CA -0.094 51.786 52.037 -0.262 0.000 0.686 559 A CB 2.844 21.634 19.000 -0.351 0.000 1.285 559 A HN 0.147 8.248 8.150 -0.082 0.000 0.403 560 I N 2.635 123.028 120.570 -0.294 0.000 2.448 560 I HA 0.170 nan 4.170 nan 0.000 0.281 560 I C -1.371 174.597 176.117 -0.248 0.000 1.027 560 I CA -0.352 60.828 61.300 -0.200 0.000 1.111 560 I CB 2.263 40.177 38.000 -0.144 0.000 1.236 560 I HN 0.663 8.632 8.210 -0.401 0.000 0.452 561 K N 6.253 126.533 120.400 -0.201 0.000 2.118 561 K HA 0.738 nan 4.320 nan 0.000 0.254 561 K C -0.818 175.719 176.600 -0.104 0.000 0.961 561 K CA -1.108 55.070 56.287 -0.181 0.000 0.876 561 K CB 1.767 34.172 32.500 -0.157 0.000 1.077 561 K HN 0.147 8.303 8.250 -0.157 0.000 0.440 562 L N 1.582 122.752 121.223 -0.087 0.000 2.362 562 L HA 0.310 nan 4.340 nan 0.000 0.275 562 L C -1.636 175.207 176.870 -0.045 0.000 0.998 562 L CA -0.505 54.304 54.840 -0.051 0.000 0.820 562 L CB 2.885 44.916 42.059 -0.047 0.000 1.270 562 L HN 0.695 8.864 8.230 -0.102 0.000 0.415 563 R N 2.588 123.075 120.500 -0.022 0.000 2.514 563 R HA 0.259 nan 4.340 nan 0.000 0.296 563 R C -1.584 174.713 176.300 -0.005 0.000 1.012 563 R CA -0.642 55.422 56.100 -0.059 0.000 0.897 563 R CB 2.745 32.976 30.300 -0.115 0.000 1.184 563 R HN 0.327 8.601 8.270 0.007 0.000 0.440 564 I N 7.302 127.851 120.570 -0.036 0.000 2.307 564 I HA 0.159 nan 4.170 nan 0.000 0.287 564 I C 0.076 176.191 176.117 -0.005 0.000 1.054 564 I CA -1.252 60.061 61.300 0.022 0.000 1.218 564 I CB 0.612 38.614 38.000 0.003 0.000 1.398 564 I HN 0.551 8.719 8.210 -0.069 0.000 0.475 565 H N 8.605 127.670 119.070 -0.009 0.000 2.489 565 H HA -0.265 nan 4.556 nan 0.000 0.293 565 H C 0.573 175.899 175.328 -0.004 0.000 1.066 565 H CA 3.298 59.343 56.048 -0.006 0.000 1.305 565 H CB -0.152 29.607 29.762 -0.005 0.000 1.386 565 H HN 0.480 8.961 8.280 0.335 0.000 0.551 566 K N -2.425 118.030 120.400 0.093 0.000 2.097 566 K HA -0.195 nan 4.320 nan 0.000 0.205 566 K C 0.692 177.303 176.600 0.019 0.000 1.050 566 K CA 1.564 57.880 56.287 0.049 0.000 0.938 566 K CB -0.200 32.322 32.500 0.037 0.000 0.718 566 K HN -0.216 8.071 8.250 0.104 0.025 0.442 567 L N -0.615 120.608 121.223 0.001 0.000 2.049 567 L HA -0.023 nan 4.340 nan 0.000 0.203 567 L C -0.015 176.837 176.870 -0.031 0.000 1.074 567 L CA 1.398 56.228 54.840 -0.016 0.000 0.749 567 L CB 1.186 43.230 42.059 -0.025 0.000 0.907 567 L HN -0.581 7.535 8.230 0.004 0.116 0.439 568 S N -3.309 112.352 115.700 -0.064 0.000 2.548 568 S HA 0.104 nan 4.470 nan 0.000 0.278 568 S C -1.465 173.026 174.600 -0.182 0.000 1.150 568 S CA -0.392 57.757 58.200 -0.086 0.000 0.907 568 S CB 1.320 64.474 63.200 -0.077 0.000 1.108 568 S HN -0.222 8.041 8.310 -0.080 0.000 0.459 569 K N 3.451 123.767 120.400 -0.140 0.000 2.361 569 K HA 0.137 nan 4.320 nan 0.000 0.196 569 K C 0.940 177.432 176.600 -0.181 0.000 1.039 569 K CA 1.163 57.326 56.287 -0.206 0.000 1.001 569 K CB 0.339 32.859 32.500 0.034 0.000 0.795 569 K HN 0.336 8.546 8.250 -0.066 0.000 0.495 570 T N -5.409 109.077 114.554 -0.113 0.000 2.990 570 T HA 0.161 nan 4.350 nan 0.000 0.250 570 T C 0.149 174.804 174.700 -0.074 0.000 1.041 570 T CA -0.064 61.993 62.100 -0.072 0.000 1.010 570 T CB 0.745 69.592 68.868 -0.035 0.000 1.003 570 T HN -0.463 7.679 8.240 -0.097 0.040 0.499 571 L N 1.443 122.611 121.223 -0.092 0.000 2.346 571 L HA 0.255 nan 4.340 nan 0.000 0.276 571 L C -0.958 175.860 176.870 -0.087 0.000 1.006 571 L CA -1.007 53.791 54.840 -0.070 0.000 0.817 571 L CB 2.112 44.141 42.059 -0.050 0.000 1.272 571 L HN -0.459 7.704 8.230 -0.111 0.000 0.421 572 D N 2.196 122.559 120.400 -0.063 0.000 2.389 572 D HA 0.124 nan 4.640 nan 0.000 0.247 572 D C -0.097 176.173 176.300 -0.049 0.000 1.128 572 D CA 0.757 54.719 54.000 -0.063 0.000 0.884 572 D CB 1.190 41.959 40.800 -0.051 0.000 1.194 572 D HN 0.209 8.552 8.370 -0.044 0.000 0.441 573 S N 1.934 117.602 115.700 -0.053 0.000 2.501 573 S HA 0.016 nan 4.470 nan 0.000 0.220 573 S C -0.237 174.345 174.600 -0.031 0.000 0.997 573 S CA 0.860 59.036 58.200 -0.040 0.000 0.919 573 S CB 1.415 64.590 63.200 -0.040 0.000 0.778 573 S HN 0.270 8.543 8.310 -0.061 0.000 0.523 574 G N -1.855 106.922 108.800 -0.037 0.000 2.576 574 G HA2 0.326 nan 3.960 nan 0.000 0.290 574 G HA3 0.326 nan 3.960 nan 0.000 0.290 574 G C -3.625 171.231 174.900 -0.074 0.000 1.442 574 G CA 0.422 45.501 45.100 -0.034 0.000 0.792 574 G HN -0.747 7.514 8.290 -0.048 0.000 0.491 575 A N -2.076 120.691 122.820 -0.088 0.000 2.608 575 A HA 0.895 nan 4.320 nan 0.000 0.292 575 A C -2.924 174.537 177.584 -0.205 0.000 1.066 575 A CA -0.343 51.550 52.037 -0.240 0.000 0.676 575 A CB 3.493 22.193 19.000 -0.499 0.000 1.277 575 A HN -0.190 7.939 8.150 -0.035 0.000 0.413 576 L N 0.442 121.489 121.223 -0.295 0.000 2.316 576 L HA 0.853 nan 4.340 nan 0.000 0.280 576 L C -2.569 174.128 176.870 -0.289 0.000 1.006 576 L CA -1.455 53.281 54.840 -0.175 0.000 0.836 576 L CB 2.246 44.232 42.059 -0.121 0.000 1.221 576 L HN 0.425 8.436 8.230 -0.365 0.000 0.418 577 Y N 6.475 126.693 120.300 -0.136 0.000 2.587 577 Y HA 0.745 nan 4.550 nan 0.000 0.337 577 Y C -1.479 174.195 175.900 -0.376 0.000 1.065 577 Y CA -1.799 56.117 58.100 -0.307 0.000 1.126 577 Y CB 4.099 42.284 38.460 -0.457 0.000 1.279 577 Y HN 1.019 9.361 8.280 0.104 0.000 0.489 578 S N -0.551 114.960 115.700 -0.314 0.000 2.647 578 S HA 0.518 nan 4.470 nan 0.000 0.300 578 S C -1.834 172.452 174.600 -0.523 0.000 1.129 578 S CA -1.101 56.910 58.200 -0.315 0.000 1.029 578 S CB 1.243 64.343 63.200 -0.166 0.000 1.007 578 S HN 0.366 8.493 8.310 -0.305 0.000 0.484 579 H N 6.649 125.485 119.070 -0.390 0.000 2.572 579 H HA 0.586 nan 4.556 nan 0.000 0.359 579 H C -0.461 174.743 175.328 -0.206 0.000 1.134 579 H CA -1.539 54.277 56.048 -0.386 0.000 1.187 579 H CB 3.808 33.134 29.762 -0.726 0.000 1.597 579 H HN 0.908 8.899 8.280 -0.483 0.000 0.524 580 I N 1.729 122.334 120.570 0.058 0.000 2.648 580 I HA -0.336 nan 4.170 nan 0.000 0.284 580 I C -0.546 175.650 176.117 0.133 0.000 1.153 580 I CA 1.444 62.787 61.300 0.071 0.000 1.426 580 I CB 0.189 38.221 38.000 0.053 0.000 1.381 580 I HN 0.099 8.351 8.210 0.069 0.000 0.571 581 N N 7.507 126.277 118.700 0.117 0.000 2.437 581 N HA 0.142 nan 4.740 nan 0.000 0.259 581 N C -0.491 175.042 175.510 0.038 0.000 0.983 581 N CA -0.219 52.889 53.050 0.096 0.000 0.937 581 N CB 1.438 39.966 38.487 0.069 0.000 1.122 581 N HN 0.103 8.444 8.380 0.086 0.091 0.499 582 G N 3.642 112.454 108.800 0.021 0.000 2.588 582 G HA2 -0.429 nan 3.960 nan 0.000 0.273 582 G HA3 -0.429 nan 3.960 nan 0.000 0.273 582 G C -1.075 173.837 174.900 0.019 0.000 1.211 582 G CA 0.258 45.364 45.100 0.009 0.000 0.958 582 G HN 0.333 8.635 8.290 0.021 0.000 0.543 583 G N 1.056 109.865 108.800 0.016 0.000 2.866 583 G HA2 0.113 nan 3.960 nan 0.000 0.289 583 G HA3 0.113 nan 3.960 nan 0.000 0.289 583 G C -2.218 172.690 174.900 0.014 0.000 1.396 583 G CA -0.744 44.366 45.100 0.017 0.000 0.848 583 G HN 0.007 8.304 8.290 0.012 0.000 0.515 584 A N -1.483 121.344 122.820 0.012 0.000 2.555 584 A HA -0.016 nan 4.320 nan 0.000 0.233 584 A C 0.845 178.432 177.584 0.004 0.000 1.060 584 A CA 1.233 53.274 52.037 0.006 0.000 0.759 584 A CB -0.507 18.496 19.000 0.005 0.000 0.995 584 A HN 0.332 8.489 8.150 0.013 0.000 0.506 585 G N 3.047 111.847 108.800 0.001 0.000 2.155 585 G HA2 -0.271 nan 3.960 nan 0.000 0.257 585 G HA3 -0.271 nan 3.960 nan 0.000 0.257 585 G C 0.338 175.239 174.900 0.003 0.000 0.983 585 G CA 0.487 45.588 45.100 0.001 0.000 0.676 585 G HN 0.612 8.901 8.290 -0.002 0.000 0.528 586 S N 0.313 116.017 115.700 0.005 0.000 2.496 586 S HA -0.129 nan 4.470 nan 0.000 0.224 586 S C 1.681 176.285 174.600 0.007 0.000 0.996 586 S CA 0.325 58.529 58.200 0.006 0.000 0.927 586 S CB 0.608 63.814 63.200 0.010 0.000 0.774 586 S HN -0.325 7.946 8.310 0.006 0.042 0.524 587 G N 1.271 110.075 108.800 0.006 0.000 2.168 587 G HA2 -0.317 nan 3.960 nan 0.000 0.257 587 G HA3 -0.317 nan 3.960 nan 0.000 0.257 587 G C -1.046 173.861 174.900 0.012 0.000 0.997 587 G CA 0.066 45.169 45.100 0.006 0.000 0.708 587 G HN 0.435 8.689 8.290 0.004 0.038 0.520 588 S N -0.072 115.639 115.700 0.018 0.000 2.541 588 S HA 0.421 nan 4.470 nan 0.000 0.280 588 S C -2.463 172.167 174.600 0.051 0.000 1.112 588 S CA -0.791 57.428 58.200 0.032 0.000 0.925 588 S CB 2.001 65.218 63.200 0.028 0.000 1.067 588 S HN -0.719 7.558 8.310 0.017 0.043 0.479 589 A N 4.334 127.197 122.820 0.072 0.000 2.609 589 A HA 0.775 nan 4.320 nan 0.000 0.291 589 A C -2.358 175.331 177.584 0.176 0.000 1.096 589 A CA -0.199 51.894 52.037 0.095 0.000 0.684 589 A CB 3.535 22.545 19.000 0.017 0.000 1.282 589 A HN 0.013 8.205 8.150 0.071 0.000 0.412 590 Y N -3.466 116.885 120.300 0.085 0.000 2.485 590 Y HA 0.451 nan 4.550 nan 0.000 0.345 590 Y C -1.506 174.473 175.900 0.132 0.000 0.998 590 Y CA -2.700 55.464 58.100 0.107 0.000 1.059 590 Y CB 2.211 40.755 38.460 0.139 0.000 1.234 590 Y HN 0.574 8.896 8.280 0.070 0.000 0.461 591 T N 5.093 119.765 114.554 0.197 0.000 2.829 591 T HA 0.503 nan 4.350 nan 0.000 0.282 591 T C -1.801 173.022 174.700 0.204 0.000 0.990 591 T CA -0.452 61.707 62.100 0.099 0.000 1.028 591 T CB 0.453 69.362 68.868 0.070 0.000 0.951 591 T HN 0.552 8.949 8.240 0.261 0.000 0.460 592 Q N 4.384 124.295 119.800 0.186 0.000 2.331 592 Q HA 0.894 nan 4.340 nan 0.000 0.272 592 Q C -2.319 173.796 176.000 0.192 0.000 1.062 592 Q CA -1.679 54.267 55.803 0.238 0.000 0.806 592 Q CB 3.589 32.529 28.738 0.337 0.000 1.312 592 Q HN 0.619 8.961 8.270 0.121 0.000 0.431 593 L N 4.711 126.013 121.223 0.131 0.000 2.298 593 L HA 0.677 nan 4.340 nan 0.000 0.284 593 L C -2.096 174.823 176.870 0.082 0.000 1.013 593 L CA -0.978 53.910 54.840 0.080 0.000 0.824 593 L CB 2.588 44.672 42.059 0.042 0.000 1.221 593 L HN 0.520 8.824 8.230 0.124 0.000 0.418 594 T N 3.235 117.842 114.554 0.088 0.000 2.940 594 T HA 0.891 nan 4.350 nan 0.000 0.288 594 T C -1.627 173.090 174.700 0.028 0.000 1.045 594 T CA -2.897 59.248 62.100 0.076 0.000 1.018 594 T CB 3.216 72.175 68.868 0.152 0.000 1.151 594 T HN 0.745 9.031 8.240 0.075 0.000 0.529 595 A N -0.059 122.768 122.820 0.012 0.000 2.520 595 A HA 0.747 nan 4.320 nan 0.000 0.298 595 A C -2.606 174.969 177.584 -0.015 0.000 1.051 595 A CA -1.098 50.933 52.037 -0.011 0.000 0.690 595 A CB 3.268 22.251 19.000 -0.028 0.000 1.281 595 A HN 0.595 8.754 8.150 0.014 0.000 0.402 596 I N 1.276 121.834 120.570 -0.020 0.000 2.519 596 I HA 0.223 nan 4.170 nan 0.000 0.287 596 I C -1.358 174.738 176.117 -0.034 0.000 1.047 596 I CA 0.028 61.314 61.300 -0.023 0.000 1.381 596 I CB 1.319 39.304 38.000 -0.024 0.000 1.417 596 I HN -0.120 8.077 8.210 -0.022 0.000 0.540 597 S N 7.749 123.428 115.700 -0.035 0.000 2.546 597 S HA 0.190 nan 4.470 nan 0.000 0.272 597 S C -0.267 174.313 174.600 -0.034 0.000 1.140 597 S CA -0.121 58.054 58.200 -0.042 0.000 0.920 597 S CB 1.696 64.864 63.200 -0.054 0.000 1.083 597 S HN -0.000 8.291 8.310 -0.031 0.000 0.476 598 G N 4.634 113.416 108.800 -0.030 0.000 2.305 598 G HA2 -0.316 nan 3.960 nan 0.000 0.287 598 G HA3 -0.316 nan 3.960 nan 0.000 0.287 598 G C -0.012 174.875 174.900 -0.021 0.000 1.036 598 G CA 0.812 45.898 45.100 -0.023 0.000 0.887 598 G HN 0.701 8.972 8.290 -0.032 0.000 0.505 599 S N -4.953 110.733 115.700 -0.022 0.000 3.445 599 S HA -0.304 nan 4.470 nan 0.000 0.319 599 S C -0.889 173.699 174.600 -0.020 0.000 1.209 599 S CA 0.863 59.050 58.200 -0.021 0.000 0.934 599 S CB -0.785 62.404 63.200 -0.018 0.000 0.999 599 S HN 0.330 8.613 8.310 -0.024 0.013 0.582 600 T N 4.212 118.753 114.554 -0.022 0.000 2.821 600 T HA 0.436 nan 4.350 nan 0.000 0.307 600 T C -2.060 172.630 174.700 -0.016 0.000 1.034 600 T CA -1.692 60.396 62.100 -0.020 0.000 0.953 600 T CB 0.898 69.752 68.868 -0.024 0.000 0.968 600 T HN -0.529 7.532 8.240 -0.024 0.164 0.462 601 P HA -0.062 nan 4.420 nan 0.000 0.266 601 P C -1.078 176.234 177.300 0.019 0.000 1.195 601 P CA 0.840 63.943 63.100 0.006 0.000 0.768 601 P CB 0.038 31.746 31.700 0.013 0.000 0.838 602 D N -1.894 118.529 120.400 0.038 0.000 3.012 602 D HA -0.411 nan 4.640 nan 0.000 0.222 602 D C 0.243 176.546 176.300 0.004 0.000 1.167 602 D CA 1.260 55.292 54.000 0.054 0.000 0.854 602 D CB -1.924 38.929 40.800 0.088 0.000 1.107 602 D HN 0.415 8.806 8.370 0.034 0.000 0.421 603 A N -3.282 119.529 122.820 -0.015 0.000 1.940 603 A HA -0.166 nan 4.320 nan 0.000 0.219 603 A C 0.591 178.144 177.584 -0.053 0.000 1.176 603 A CA 2.208 54.222 52.037 -0.038 0.000 0.631 603 A CB 0.645 19.620 19.000 -0.041 0.000 0.814 603 A HN -0.389 7.718 8.150 -0.011 0.036 0.446 604 V N -0.940 118.947 119.914 -0.045 0.000 2.604 604 V HA 0.308 nan 4.120 nan 0.000 0.305 604 V C -1.792 174.282 176.094 -0.034 0.000 1.043 604 V CA -1.021 61.243 62.300 -0.060 0.000 0.888 604 V CB 1.278 33.059 31.823 -0.069 0.000 0.995 604 V HN -0.431 7.725 8.190 -0.031 0.016 0.429 605 S N 3.196 118.871 115.700 -0.041 0.000 2.565 605 S HA 0.587 nan 4.470 nan 0.000 0.269 605 S C -2.189 172.406 174.600 -0.008 0.000 1.153 605 S CA -0.904 57.294 58.200 -0.003 0.000 0.835 605 S CB 2.673 65.894 63.200 0.035 0.000 1.122 605 S HN -0.081 8.187 8.310 -0.070 0.000 0.462 606 L N 1.252 122.489 121.223 0.024 0.000 2.317 606 L HA 0.687 nan 4.340 nan 0.000 0.281 606 L C -2.350 174.564 176.870 0.072 0.000 1.024 606 L CA -0.843 54.014 54.840 0.028 0.000 0.810 606 L CB 2.438 44.512 42.059 0.025 0.000 1.240 606 L HN 0.668 8.922 8.230 0.040 0.000 0.427 607 K N 4.563 125.006 120.400 0.072 0.000 2.328 607 K HA 0.777 nan 4.320 nan 0.000 0.246 607 K C -1.579 175.100 176.600 0.132 0.000 0.955 607 K CA -1.847 54.528 56.287 0.147 0.000 0.817 607 K CB 3.038 35.608 32.500 0.117 0.000 1.208 607 K HN 0.162 8.435 8.250 0.038 0.000 0.432 608 V N 0.970 120.996 119.914 0.186 0.000 2.443 608 V HA 0.432 nan 4.120 nan 0.000 0.293 608 V C -0.689 175.516 176.094 0.185 0.000 1.021 608 V CA -1.153 61.233 62.300 0.143 0.000 0.848 608 V CB 1.202 33.091 31.823 0.111 0.000 0.998 608 V HN 0.611 8.959 8.190 0.262 0.000 0.424 609 N N 5.371 124.151 118.700 0.134 0.000 2.869 609 N HA -0.471 nan 4.740 nan 0.000 0.249 609 N C -1.214 174.361 175.510 0.109 0.000 1.104 609 N CA 0.817 53.938 53.050 0.118 0.000 0.760 609 N CB -0.286 38.275 38.487 0.124 0.000 1.108 609 N HN 0.462 8.903 8.380 0.102 0.000 0.555 610 H N 1.538 120.559 119.070 -0.080 0.000 3.034 610 H HA -0.106 nan 4.556 nan 0.000 0.324 610 H C 0.012 175.218 175.328 -0.204 0.000 1.015 610 H CA 2.633 58.445 56.048 -0.393 0.000 1.429 610 H CB 0.699 30.128 29.762 -0.555 0.000 1.429 610 H HN 0.070 8.421 8.280 0.117 0.000 0.585 611 K N 4.032 123.995 120.400 -0.728 0.000 3.088 611 K HA -0.426 nan 4.320 nan 0.000 0.273 611 K C -1.023 175.471 176.600 -0.177 0.000 1.111 611 K CA 1.066 57.085 56.287 -0.447 0.000 0.803 611 K CB -1.465 30.739 32.500 -0.492 0.000 1.226 611 K HN 0.620 8.402 8.250 -0.780 0.000 0.485 612 D N -3.651 116.693 120.400 -0.092 0.000 2.911 612 D HA -0.344 nan 4.640 nan 0.000 0.227 612 D C 0.405 176.693 176.300 -0.020 0.000 1.164 612 D CA 1.306 55.291 54.000 -0.025 0.000 0.782 612 D CB -1.169 39.620 40.800 -0.020 0.000 1.094 612 D HN -0.103 8.368 8.370 -0.078 -0.147 0.425 613 C N -5.419 113.866 119.300 -0.026 0.000 2.472 613 C HA -0.047 nan 4.460 nan 0.000 0.278 613 C C 0.758 175.757 174.990 0.014 0.000 1.447 613 C CA 0.203 59.217 59.018 -0.006 0.000 1.773 613 C CB -0.195 27.546 27.740 0.002 0.000 1.793 613 C HN -0.350 7.705 8.230 -0.050 0.145 0.544 614 R N -3.549 116.966 120.500 0.025 0.000 3.875 614 R HA -0.314 nan 4.340 nan 0.000 0.321 614 R C -0.345 175.978 176.300 0.038 0.000 1.196 614 R CA 0.034 56.154 56.100 0.033 0.000 0.868 614 R CB -2.505 27.810 30.300 0.025 0.000 1.333 614 R HN 0.419 8.640 8.270 0.024 0.064 0.522 615 G N -3.164 105.661 108.800 0.042 0.000 2.630 615 G HA2 0.287 nan 3.960 nan 0.000 0.296 615 G HA3 0.287 nan 3.960 nan 0.000 0.296 615 G C -2.653 172.280 174.900 0.054 0.000 1.285 615 G CA -0.776 44.351 45.100 0.045 0.000 0.958 615 G HN -0.729 7.551 8.290 0.043 0.036 0.479 616 A N -0.326 122.527 122.820 0.054 0.000 2.290 616 A HA 0.579 nan 4.320 nan 0.000 0.310 616 A C -1.556 176.058 177.584 0.049 0.000 1.202 616 A CA -0.991 51.080 52.037 0.057 0.000 0.837 616 A CB 1.237 20.271 19.000 0.057 0.000 1.139 616 A HN 0.131 8.313 8.150 0.053 0.000 0.509 617 E N 4.260 124.481 120.200 0.036 0.000 2.115 617 E HA 0.240 nan 4.350 nan 0.000 0.282 617 E C -1.384 175.227 176.600 0.017 0.000 0.987 617 E CA -1.233 55.174 56.400 0.012 0.000 0.797 617 E CB 1.747 31.421 29.700 -0.043 0.000 1.086 617 E HN 0.419 8.692 8.360 0.042 0.112 0.397 618 I N 7.112 127.708 120.570 0.043 0.000 2.378 618 I HA 0.262 nan 4.170 nan 0.000 0.291 618 I C -1.960 174.188 176.117 0.051 0.000 0.992 618 I CA -3.685 57.647 61.300 0.053 0.000 1.154 618 I CB 0.798 38.853 38.000 0.092 0.000 1.315 618 I HN 0.241 8.489 8.210 0.064 0.000 0.448 619 P HA 0.154 nan 4.420 nan 0.000 0.280 619 P C -2.036 175.264 177.300 -0.001 0.000 1.244 619 P CA -0.269 62.763 63.100 -0.113 0.000 0.784 619 P CB 0.381 32.006 31.700 -0.125 0.000 0.913 620 F N -2.884 117.083 119.950 0.028 0.000 2.579 620 F HA 0.470 nan 4.527 nan 0.000 0.324 620 F C -1.272 174.592 175.800 0.107 0.000 1.058 620 F CA -2.770 55.285 58.000 0.091 0.000 0.944 620 F CB 1.665 40.748 39.000 0.139 0.000 1.245 620 F HN -0.384 7.435 8.300 -0.800 0.000 0.477 621 V N 1.597 121.771 119.914 0.433 0.000 2.540 621 V HA 0.072 nan 4.120 nan 0.000 0.297 621 V C -0.961 175.428 176.094 0.492 0.000 1.024 621 V CA -0.480 62.026 62.300 0.343 0.000 1.105 621 V CB -0.477 31.581 31.823 0.391 0.000 0.938 621 V HN 0.388 8.872 8.190 0.490 0.000 0.482 622 P HA -0.085 nan 4.420 nan 0.000 0.231 622 P C -1.310 176.253 177.300 0.439 0.000 1.158 622 P CA 1.361 64.646 63.100 0.308 0.000 0.763 622 P CB 0.348 32.112 31.700 0.106 0.000 0.805 623 D N -5.147 115.498 120.400 0.409 0.000 2.812 623 D HA 0.068 nan 4.640 nan 0.000 0.318 623 D C -1.400 175.093 176.300 0.322 0.000 1.234 623 D CA -2.524 51.686 54.000 0.351 0.000 0.989 623 D CB 2.596 43.534 40.800 0.230 0.000 1.442 623 D HN -0.682 7.853 8.370 0.387 0.067 0.537 624 I N 0.599 121.276 120.570 0.179 0.000 2.662 624 I HA -0.207 nan 4.170 nan 0.000 0.285 624 I C -0.463 175.501 176.117 -0.255 0.000 1.161 624 I CA 0.329 61.601 61.300 -0.047 0.000 1.415 624 I CB -0.531 37.436 38.000 -0.055 0.000 1.385 624 I HN 0.154 8.457 8.210 0.156 0.000 0.552 625 A N 8.056 130.465 122.820 -0.686 0.000 2.409 625 A HA 0.075 nan 4.320 nan 0.000 0.262 625 A C -0.654 176.567 177.584 -0.605 0.000 1.113 625 A CA -0.531 51.263 52.037 -0.406 0.000 0.790 625 A CB 0.653 19.510 19.000 -0.239 0.000 1.046 625 A HN 0.007 7.185 8.150 -1.620 0.000 0.496 626 S N 0.920 116.035 115.700 -0.975 0.000 2.592 626 S HA 0.026 nan 4.470 nan 0.000 0.271 626 S C 1.076 175.353 174.600 -0.540 0.000 1.326 626 S CA -1.395 56.319 58.200 -0.810 0.000 1.024 626 S CB 1.340 63.902 63.200 -1.063 0.000 0.921 626 S HN 0.292 7.596 8.310 -1.677 0.000 0.527 627 D N 4.354 124.574 120.400 -0.300 0.000 2.190 627 D HA -0.248 nan 4.640 nan 0.000 0.200 627 D C 1.346 177.596 176.300 -0.084 0.000 0.992 627 D CA 3.137 57.049 54.000 -0.146 0.000 0.854 627 D CB -0.357 40.386 40.800 -0.095 0.000 0.936 627 D HN 0.605 8.808 8.370 -0.279 0.000 0.462 628 D N -1.739 118.595 120.400 -0.111 0.000 2.363 628 D HA -0.144 nan 4.640 nan 0.000 0.226 628 D C 1.029 177.441 176.300 0.187 0.000 1.020 628 D CA 1.053 55.064 54.000 0.018 0.000 0.892 628 D CB -0.998 39.813 40.800 0.018 0.000 0.900 628 D HN -0.672 7.542 8.370 -0.213 0.029 0.531 629 F N -1.821 118.123 119.950 -0.011 0.000 2.259 629 F HA -0.245 nan 4.527 nan 0.000 0.298 629 F C 0.658 176.462 175.800 0.008 0.000 1.088 629 F CA 0.919 58.917 58.000 -0.003 0.000 1.358 629 F CB 0.735 39.731 39.000 -0.007 0.000 1.040 629 F HN -0.597 7.539 8.300 0.011 0.170 0.505 630 I N -1.561 119.133 120.570 0.206 0.000 2.441 630 I HA -0.064 nan 4.170 nan 0.000 0.287 630 I C -0.344 175.827 176.117 0.088 0.000 1.049 630 I CA -0.286 61.090 61.300 0.127 0.000 1.381 630 I CB 1.216 39.285 38.000 0.116 0.000 1.409 630 I HN -0.786 7.512 8.210 0.178 0.019 0.523 631 K N 6.515 126.953 120.400 0.063 0.000 2.161 631 K HA -0.036 nan 4.320 nan 0.000 0.205 631 K C -0.326 176.297 176.600 0.038 0.000 1.035 631 K CA 1.570 57.884 56.287 0.045 0.000 0.970 631 K CB 0.444 32.962 32.500 0.030 0.000 0.866 631 K HN 0.302 8.586 8.250 0.057 0.000 0.461 632 D N -1.827 118.594 120.400 0.035 0.000 2.228 632 D HA 0.201 nan 4.640 nan 0.000 0.247 632 D C -0.830 175.495 176.300 0.042 0.000 0.995 632 D CA -0.717 53.303 54.000 0.033 0.000 0.903 632 D CB 1.989 42.804 40.800 0.024 0.000 1.205 632 D HN -0.279 8.111 8.370 0.033 0.000 0.459 633 S N 0.462 116.186 115.700 0.040 0.000 2.579 633 S HA -0.075 nan 4.470 nan 0.000 0.275 633 S C 0.297 174.929 174.600 0.053 0.000 1.345 633 S CA 1.205 59.432 58.200 0.046 0.000 1.031 633 S CB 0.655 63.878 63.200 0.037 0.000 0.892 633 S HN 0.086 8.416 8.310 0.033 0.000 0.529 634 S N -0.654 115.086 115.700 0.066 0.000 3.698 634 S HA -0.413 nan 4.470 nan 0.000 0.338 634 S C -1.166 173.495 174.600 0.103 0.000 1.089 634 S CA 1.288 59.535 58.200 0.080 0.000 0.991 634 S CB -0.663 62.573 63.200 0.060 0.000 0.909 634 S HN 0.237 8.400 8.310 0.066 0.187 0.485 635 C N -1.235 118.136 119.300 0.118 0.000 2.994 635 C HA 0.524 nan 4.460 nan 0.000 0.304 635 C C -1.876 173.238 174.990 0.207 0.000 1.273 635 C CA -0.955 58.130 59.018 0.112 0.000 1.537 635 C CB 4.096 31.857 27.740 0.036 0.000 2.001 635 C HN -0.556 7.728 8.230 0.114 0.015 0.471 636 F N -1.124 118.865 119.950 0.065 0.000 2.588 636 F HA 1.015 nan 4.527 nan 0.000 0.314 636 F C -2.448 173.415 175.800 0.105 0.000 1.069 636 F CA -2.558 55.491 58.000 0.082 0.000 0.931 636 F CB 2.476 41.517 39.000 0.068 0.000 1.260 636 F HN -0.065 8.148 8.300 -0.143 0.000 0.465 637 L N 2.422 123.799 121.223 0.257 0.000 2.372 637 L HA 0.624 nan 4.340 nan 0.000 0.273 637 L C -2.719 174.373 176.870 0.370 0.000 0.989 637 L CA -3.867 51.091 54.840 0.196 0.000 0.841 637 L CB 2.837 45.019 42.059 0.205 0.000 1.225 637 L HN 0.709 9.166 8.230 0.378 0.000 0.414 638 P HA 0.349 nan 4.420 nan 0.000 0.271 638 P C -1.962 175.600 177.300 0.436 0.000 1.216 638 P CA -0.492 62.814 63.100 0.344 0.000 0.776 638 P CB -0.109 31.780 31.700 0.316 0.000 0.881 639 Y N -2.515 117.921 120.300 0.227 0.000 2.562 639 Y HA 0.631 nan 4.550 nan 0.000 0.345 639 Y C -2.324 173.709 175.900 0.221 0.000 1.045 639 Y CA -2.228 56.044 58.100 0.287 0.000 1.028 639 Y CB 2.778 41.388 38.460 0.250 0.000 1.297 639 Y HN 0.368 8.529 8.280 -0.028 0.103 0.463 640 W N 1.519 122.970 121.300 0.253 0.000 2.351 640 W HA 0.228 nan 4.660 nan 0.000 0.311 640 W C -1.261 175.342 176.519 0.140 0.000 1.168 640 W CA -0.790 56.590 57.345 0.059 0.000 1.200 640 W CB 1.904 31.504 29.460 0.234 0.000 1.221 640 W HN 0.423 9.088 8.180 0.808 0.000 0.519 641 E N 8.775 128.578 120.200 -0.662 0.000 2.256 641 E HA 0.237 nan 4.350 nan 0.000 0.243 641 E C -0.819 175.229 176.600 -0.919 0.000 0.925 641 E CA -1.994 54.097 56.400 -0.514 0.000 0.748 641 E CB 0.550 30.023 29.700 -0.379 0.000 1.206 641 E HN 0.351 8.104 8.360 -1.013 0.000 0.428 642 N N 6.776 125.065 118.700 -0.684 0.000 2.149 642 N HA -0.340 nan 4.740 nan 0.000 0.188 642 N C 1.195 176.573 175.510 -0.221 0.000 1.019 642 N CA 3.216 56.030 53.050 -0.394 0.000 0.857 642 N CB -0.190 38.369 38.487 0.120 0.000 0.997 642 N HN 0.401 8.575 8.380 -0.344 0.000 0.426 643 N N -2.165 116.432 118.700 -0.172 0.000 2.520 643 N HA -0.183 nan 4.740 nan 0.000 0.185 643 N C 0.119 175.550 175.510 -0.132 0.000 1.068 643 N CA 1.849 54.835 53.050 -0.106 0.000 0.911 643 N CB -0.898 37.547 38.487 -0.069 0.000 0.961 643 N HN 0.094 8.352 8.380 -0.171 0.019 0.446 644 S N -4.240 111.326 115.700 -0.223 0.000 2.787 644 S HA 0.231 nan 4.470 nan 0.000 0.255 644 S C -0.686 173.767 174.600 -0.244 0.000 1.051 644 S CA -0.134 57.948 58.200 -0.196 0.000 1.124 644 S CB 1.699 64.786 63.200 -0.188 0.000 1.104 644 S HN -0.607 7.455 8.310 -0.332 0.048 0.623 645 T N 3.477 117.816 114.554 -0.359 0.000 3.882 645 T HA -0.450 nan 4.350 nan 0.000 0.366 645 T C -1.060 173.375 174.700 -0.442 0.000 0.760 645 T CA 1.507 63.400 62.100 -0.345 0.000 1.931 645 T CB -2.260 66.599 68.868 -0.015 0.000 1.807 645 T HN -0.205 7.677 8.240 -0.396 0.120 0.790 646 S N -1.255 113.987 115.700 -0.763 0.000 2.568 646 S HA 0.664 nan 4.470 nan 0.000 0.293 646 S C -2.139 172.113 174.600 -0.581 0.000 1.089 646 S CA -1.115 56.787 58.200 -0.497 0.000 0.945 646 S CB 3.836 66.830 63.200 -0.343 0.000 1.077 646 S HN -0.444 7.256 8.310 -1.018 0.000 0.485 647 L N 1.611 122.659 121.223 -0.291 0.000 2.295 647 L HA 0.649 nan 4.340 nan 0.000 0.285 647 L C -1.151 175.518 176.870 -0.335 0.000 1.035 647 L CA -0.677 54.008 54.840 -0.259 0.000 0.806 647 L CB 1.337 43.297 42.059 -0.164 0.000 1.214 647 L HN 0.590 8.695 8.230 -0.208 0.000 0.426 648 K N 2.438 122.518 120.400 -0.534 0.000 2.303 648 K HA 0.852 nan 4.320 nan 0.000 0.233 648 K C -1.922 174.383 176.600 -0.492 0.000 1.046 648 K CA -3.186 52.721 56.287 -0.633 0.000 0.895 648 K CB 2.945 34.773 32.500 -1.121 0.000 1.220 648 K HN 0.984 8.866 8.250 -0.614 0.000 0.470 649 A N -1.251 121.424 122.820 -0.242 0.000 2.414 649 A HA 0.482 nan 4.320 nan 0.000 0.286 649 A C -2.573 175.169 177.584 0.264 0.000 1.073 649 A CA -0.708 51.386 52.037 0.096 0.000 0.727 649 A CB 2.419 21.462 19.000 0.072 0.000 1.215 649 A HN 0.736 8.753 8.150 -0.221 0.000 0.430 650 L N 5.971 127.471 121.223 0.463 0.000 2.313 650 L HA 0.584 nan 4.340 nan 0.000 0.282 650 L C -1.890 175.141 176.870 0.267 0.000 1.092 650 L CA -0.203 54.849 54.840 0.353 0.000 0.831 650 L CB 1.198 43.424 42.059 0.279 0.000 1.159 650 L HN 0.084 8.652 8.230 0.562 0.000 0.442 651 V N 8.571 128.600 119.914 0.192 0.000 2.459 651 V HA 0.477 nan 4.120 nan 0.000 0.295 651 V C -2.047 174.121 176.094 0.123 0.000 1.029 651 V CA -1.503 60.902 62.300 0.175 0.000 0.874 651 V CB 2.148 34.043 31.823 0.119 0.000 0.985 651 V HN 1.063 9.349 8.190 0.160 0.000 0.438 652 K N 6.902 127.375 120.400 0.122 0.000 2.334 652 K HA 0.421 nan 4.320 nan 0.000 0.265 652 K C -0.464 176.183 176.600 0.078 0.000 1.039 652 K CA -1.366 54.972 56.287 0.085 0.000 0.920 652 K CB 1.451 33.997 32.500 0.077 0.000 1.160 652 K HN 0.495 8.835 8.250 0.150 0.000 0.451 653 K N 7.058 127.494 120.400 0.061 0.000 2.286 653 K HA -0.069 nan 4.320 nan 0.000 0.256 653 K C -0.585 176.042 176.600 0.045 0.000 0.999 653 K CA -0.139 56.179 56.287 0.050 0.000 0.908 653 K CB -0.920 31.602 32.500 0.036 0.000 0.981 653 K HN 0.613 8.896 8.250 0.055 0.000 0.500 654 P HA -0.206 nan 4.420 nan 0.000 0.218 654 P C -0.149 177.168 177.300 0.028 0.000 1.146 654 P CA 2.566 65.687 63.100 0.035 0.000 0.813 654 P CB -0.070 31.649 31.700 0.030 0.000 0.778 655 N N -5.856 112.860 118.700 0.026 0.000 2.398 655 N HA -0.137 nan 4.740 nan 0.000 0.188 655 N C 0.757 176.280 175.510 0.022 0.000 1.122 655 N CA -0.096 52.967 53.050 0.021 0.000 0.866 655 N CB -0.432 38.066 38.487 0.017 0.000 0.970 655 N HN -0.295 8.067 8.380 0.027 0.034 0.462 656 G N -0.620 108.197 108.800 0.027 0.000 2.217 656 G HA2 -0.401 nan 3.960 nan 0.000 0.246 656 G HA3 -0.401 nan 3.960 nan 0.000 0.246 656 G C -1.291 173.625 174.900 0.027 0.000 0.990 656 G CA -0.005 45.111 45.100 0.027 0.000 0.627 656 G HN 0.085 8.208 8.290 0.031 0.186 0.522 657 E N -0.324 119.891 120.200 0.025 0.000 2.343 657 E HA 0.020 nan 4.350 nan 0.000 0.269 657 E C -0.808 175.811 176.600 0.031 0.000 1.047 657 E CA -0.509 55.905 56.400 0.024 0.000 0.874 657 E CB 0.843 30.554 29.700 0.019 0.000 1.033 657 E HN -0.157 8.145 8.360 0.025 0.073 0.409 658 L N 1.287 122.527 121.223 0.029 0.000 2.334 658 L HA 0.660 nan 4.340 nan 0.000 0.277 658 L C -0.767 176.125 176.870 0.036 0.000 1.075 658 L CA -0.684 54.179 54.840 0.038 0.000 0.804 658 L CB 1.192 43.268 42.059 0.029 0.000 1.174 658 L HN 0.133 8.376 8.230 0.021 0.000 0.438 659 V N 3.907 123.851 119.914 0.051 0.000 2.932 659 V HA 0.361 nan 4.120 nan 0.000 0.307 659 V C -2.403 173.733 176.094 0.071 0.000 1.147 659 V CA -1.462 60.865 62.300 0.045 0.000 0.951 659 V CB 4.759 36.600 31.823 0.031 0.000 1.031 659 V HN 0.615 8.844 8.190 0.066 0.000 0.426 660 R N 5.327 125.870 120.500 0.071 0.000 2.343 660 R HA 0.878 nan 4.340 nan 0.000 0.320 660 R C -0.763 175.565 176.300 0.046 0.000 0.956 660 R CA -1.026 55.141 56.100 0.111 0.000 0.836 660 R CB 1.190 31.585 30.300 0.158 0.000 1.151 660 R HN 0.314 8.614 8.270 0.051 0.000 0.450 661 L N 3.307 124.539 121.223 0.015 0.000 2.286 661 L HA 0.419 nan 4.340 nan 0.000 0.265 661 L C -0.566 176.244 176.870 -0.100 0.000 1.012 661 L CA -1.533 53.281 54.840 -0.044 0.000 0.818 661 L CB 3.199 45.222 42.059 -0.060 0.000 1.337 661 L HN 0.686 8.943 8.230 0.045 0.000 0.438 662 T N 1.946 116.435 114.554 -0.109 0.000 2.771 662 T HA 0.305 nan 4.350 nan 0.000 0.291 662 T C -0.631 173.985 174.700 -0.139 0.000 0.954 662 T CA 0.837 62.853 62.100 -0.140 0.000 1.045 662 T CB 0.474 69.273 68.868 -0.116 0.000 0.917 662 T HN -0.052 8.135 8.240 -0.089 0.000 0.484 663 L N 6.748 127.876 121.223 -0.158 0.000 2.262 663 L HA 0.259 nan 4.340 nan 0.000 0.197 663 L C -1.120 175.688 176.870 -0.103 0.000 1.073 663 L CA 0.031 54.789 54.840 -0.137 0.000 0.800 663 L CB 1.663 43.648 42.059 -0.122 0.000 0.987 663 L HN 0.535 8.651 8.230 -0.190 0.000 0.470 664 A N -2.881 119.877 122.820 -0.103 0.000 2.486 664 A HA 0.403 nan 4.320 nan 0.000 0.300 664 A C -2.319 175.220 177.584 -0.076 0.000 1.048 664 A CA -0.412 51.584 52.037 -0.068 0.000 0.696 664 A CB 2.412 21.391 19.000 -0.035 0.000 1.278 664 A HN -0.498 7.571 8.150 -0.135 0.000 0.405 665 T N -2.865 111.656 114.554 -0.055 0.000 2.841 665 T HA 0.432 nan 4.350 nan 0.000 0.296 665 T C -1.204 173.480 174.700 -0.028 0.000 1.166 665 T CA -1.689 60.376 62.100 -0.058 0.000 1.007 665 T CB 2.181 71.007 68.868 -0.070 0.000 1.253 665 T HN -0.040 8.175 8.240 -0.042 0.000 0.511 666 L N 0.000 121.208 121.223 -0.025 0.000 2.949 666 L HA 0.000 nan 4.340 nan 0.000 0.249 666 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 666 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 666 L HN 0.000 8.205 8.230 -0.041 0.000 0.502