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 1lpb_1_B DATA FIRST_RESID 1 DATA SEQUENCE KEVcYERLGc FSDDSPWSGI TERPLHILPS PKDVNTRFLL YTNENPNNFQ DATA SEQUENCE EVAADSSSIS GSNFKTNRKT RFIIHGFIDK GEENWLANVc KNLFKVESVN DATA SEQUENCE cICVDWKGGS RTGYTQASQN IRIVGAEVAY FVEFLQSAFG YSPSNVHVIG DATA SEQUENCE HSLGAHAAGE AGRRTNGTIG RITGLDPAEP CFQGTPELVR LDPSDAKFVD DATA SEQUENCE VIHTDGAPIV PNLGFGMSQV VGHLDFFPNG GVEMPGcKKN ILSQIVDIDG DATA SEQUENCE IWEGTRDFAA cNHLRSYKYY TDSIVNPDGF AGFPcASYNV FTANKcFPcP DATA SEQUENCE SGGcPQMGHY ADRYPGKTND VGQKFYLDTG DASNFARWRY KVSVTLSGKK DATA SEQUENCE VTGHILVSLF GNKGNSKQYE IFKGTLKPDS THSNEFDSDV DVGDLQMVKF DATA SEQUENCE IWYNXNVINP TLPRVGASKI IVETNVGKQF NFcSPETVRE EVLLTLTPc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.609 176.600 0.015 0.000 0.988 1 K CA 0.000 56.295 56.287 0.013 0.000 0.838 1 K CB 0.000 32.510 32.500 0.017 0.000 1.064 2 E N 3.122 123.319 120.200 -0.005 0.000 2.304 2 E HA 0.675 nan 4.350 nan 0.000 0.277 2 E C -1.933 174.642 176.600 -0.042 0.000 0.898 2 E CA -1.037 55.352 56.400 -0.018 0.000 0.764 2 E CB 3.189 32.869 29.700 -0.032 0.000 1.216 2 E HN -0.087 8.266 8.360 -0.012 0.000 0.419 3 V N 5.149 125.037 119.914 -0.043 0.000 2.588 3 V HA 0.416 nan 4.120 nan 0.000 0.304 3 V C -1.784 174.178 176.094 -0.220 0.000 1.042 3 V CA -0.861 61.358 62.300 -0.135 0.000 0.877 3 V CB 3.501 35.287 31.823 -0.060 0.000 0.996 3 V HN 0.386 8.578 8.190 0.003 0.000 0.425 4 c N 5.851 124.203 118.600 -0.413 0.000 2.493 4 c HA 0.733 nan 4.570 nan 0.000 0.326 4 c C -1.233 172.450 174.090 -0.677 0.000 1.200 4 c CA -1.939 54.168 56.329 -0.370 0.000 1.739 4 c CB 1.694 44.082 42.510 -0.205 0.000 2.300 4 c HN 0.089 8.067 8.230 -0.421 0.000 0.500 5 Y N -0.268 120.091 120.300 0.098 0.000 2.512 5 Y HA 0.217 nan 4.550 nan 0.000 0.348 5 Y C -1.078 174.840 175.900 0.030 0.000 0.990 5 Y CA -1.525 56.620 58.100 0.075 0.000 1.033 5 Y CB 3.595 42.127 38.460 0.121 0.000 1.259 5 Y HN 0.883 9.072 8.280 0.041 0.115 0.461 6 E N 1.689 121.988 120.200 0.165 0.000 2.418 6 E HA -0.161 nan 4.350 nan 0.000 0.261 6 E C 0.967 177.584 176.600 0.028 0.000 1.070 6 E CA 0.916 57.356 56.400 0.067 0.000 0.931 6 E CB 0.651 30.375 29.700 0.040 0.000 0.954 6 E HN 0.448 8.931 8.360 0.205 0.000 0.439 7 R N -0.416 120.074 120.500 -0.017 0.000 2.248 7 R HA -0.378 nan 4.340 nan 0.000 0.154 7 R C 0.014 176.296 176.300 -0.031 0.000 0.881 7 R CA 2.494 58.509 56.100 -0.142 0.000 1.877 7 R CB -1.572 28.433 30.300 -0.491 0.000 0.832 7 R HN 0.630 8.910 8.270 0.017 0.000 0.665 8 L N -2.325 118.929 121.223 0.053 0.000 2.463 8 L HA 0.073 nan 4.340 nan 0.000 0.219 8 L C -0.200 176.680 176.870 0.015 0.000 1.088 8 L CA 0.248 55.179 54.840 0.151 0.000 0.849 8 L CB 0.982 43.257 42.059 0.361 0.000 1.012 8 L HN -0.124 8.069 8.230 0.089 0.091 0.468 9 G N -3.443 105.349 108.800 -0.013 0.000 2.587 9 G HA2 -0.325 nan 3.960 nan 0.000 0.212 9 G HA3 -0.325 nan 3.960 nan 0.000 0.212 9 G C -1.801 172.890 174.900 -0.348 0.000 1.327 9 G CA -0.812 44.173 45.100 -0.192 0.000 0.898 9 G HN -0.286 8.047 8.290 0.071 0.000 0.551 10 c N 1.587 119.912 118.600 -0.459 0.000 2.335 10 c HA 0.850 nan 4.570 nan 0.000 0.363 10 c C -0.403 173.235 174.090 -0.753 0.000 1.198 10 c CA -0.920 55.163 56.329 -0.409 0.000 2.279 10 c CB 1.434 43.808 42.510 -0.226 0.000 2.334 10 c HN 0.153 8.152 8.230 -0.385 0.000 0.559 11 F N -0.147 119.718 119.950 -0.142 0.000 2.561 11 F HA 0.270 nan 4.527 nan 0.000 0.313 11 F C -2.054 173.623 175.800 -0.206 0.000 1.126 11 F CA -1.144 56.720 58.000 -0.227 0.000 0.918 11 F CB 3.627 42.526 39.000 -0.168 0.000 1.199 11 F HN 0.505 8.825 8.300 0.033 0.000 0.444 12 S N 1.593 117.212 115.700 -0.134 0.000 2.568 12 S HA 0.547 nan 4.470 nan 0.000 0.293 12 S C -1.120 173.466 174.600 -0.024 0.000 1.089 12 S CA -2.274 55.894 58.200 -0.054 0.000 0.945 12 S CB 2.357 65.545 63.200 -0.020 0.000 1.077 12 S HN -0.010 8.098 8.310 -0.337 0.000 0.485 13 D N 1.975 122.427 120.400 0.086 0.000 2.561 13 D HA 0.159 nan 4.640 nan 0.000 0.232 13 D C -0.546 175.906 176.300 0.253 0.000 1.198 13 D CA -1.821 52.286 54.000 0.178 0.000 0.826 13 D CB -0.669 40.257 40.800 0.209 0.000 0.992 13 D HN -0.124 8.293 8.370 0.077 0.000 0.490 14 D N 0.023 120.577 120.400 0.257 0.000 2.354 14 D HA 0.012 nan 4.640 nan 0.000 0.247 14 D C -0.256 176.205 176.300 0.269 0.000 1.138 14 D CA -0.277 53.869 54.000 0.244 0.000 0.958 14 D CB 1.618 42.544 40.800 0.211 0.000 1.144 14 D HN -0.641 7.766 8.370 0.233 0.103 0.458 15 S N -1.327 114.461 115.700 0.147 0.000 2.562 15 S HA -0.000 nan 4.470 nan 0.000 0.281 15 S C -0.614 173.975 174.600 -0.019 0.000 1.333 15 S CA -1.639 56.588 58.200 0.045 0.000 1.052 15 S CB 0.962 64.174 63.200 0.020 0.000 0.884 15 S HN -0.020 8.369 8.310 0.133 0.000 0.506 16 P HA 0.193 nan 4.420 nan 0.000 0.257 16 P C -0.215 176.949 177.300 -0.227 0.000 1.281 16 P CA 0.068 63.032 63.100 -0.227 0.000 0.826 16 P CB 0.627 32.159 31.700 -0.280 0.000 1.237 17 W N -0.119 121.158 121.300 -0.039 0.000 2.331 17 W HA -0.333 nan 4.660 nan 0.000 0.291 17 W C 0.092 176.544 176.519 -0.112 0.000 1.214 17 W CA 2.275 59.587 57.345 -0.054 0.000 1.228 17 W CB -0.228 29.230 29.460 -0.004 0.000 1.135 17 W HN -0.220 7.814 8.180 -0.143 0.060 0.537 18 S N -5.442 110.296 115.700 0.063 0.000 2.671 18 S HA 0.170 nan 4.470 nan 0.000 0.277 18 S C -1.264 173.218 174.600 -0.196 0.000 1.165 18 S CA -0.621 57.482 58.200 -0.161 0.000 0.822 18 S CB 2.773 65.783 63.200 -0.317 0.000 1.150 18 S HN -0.844 7.510 8.310 0.112 0.024 0.479 19 G N 0.418 109.010 108.800 -0.347 0.000 2.353 19 G HA2 -0.338 nan 3.960 nan 0.000 0.294 19 G HA3 -0.338 nan 3.960 nan 0.000 0.294 19 G C -1.430 173.431 174.900 -0.065 0.000 1.077 19 G CA 0.855 45.868 45.100 -0.145 0.000 1.098 19 G HN -0.055 7.942 8.290 -0.489 0.000 0.511 20 I N -8.022 112.496 120.570 -0.086 0.000 3.066 20 I HA 0.324 nan 4.170 nan 0.000 0.307 20 I C -0.858 175.219 176.117 -0.067 0.000 1.366 20 I CA -1.950 59.309 61.300 -0.067 0.000 0.972 20 I CB 1.733 39.683 38.000 -0.083 0.000 1.307 20 I HN -0.613 7.431 8.210 -0.117 0.096 0.470 21 T N 0.442 114.965 114.554 -0.051 0.000 2.699 21 T HA -0.191 nan 4.350 nan 0.000 0.268 21 T C 0.301 174.968 174.700 -0.056 0.000 1.036 21 T CA 2.869 64.943 62.100 -0.043 0.000 1.147 21 T CB -0.286 68.563 68.868 -0.032 0.000 0.862 21 T HN 0.355 8.568 8.240 -0.045 0.000 0.446 22 E N -1.439 118.716 120.200 -0.074 0.000 2.285 22 E HA -0.056 nan 4.350 nan 0.000 0.194 22 E C -0.725 175.798 176.600 -0.127 0.000 0.997 22 E CA 0.953 57.298 56.400 -0.091 0.000 0.845 22 E CB 0.465 30.105 29.700 -0.101 0.000 0.782 22 E HN 0.247 8.561 8.360 -0.076 0.000 0.491 23 R N -3.609 116.809 120.500 -0.136 0.000 2.850 23 R HA 0.385 nan 4.340 nan 0.000 0.266 23 R C -2.362 173.845 176.300 -0.154 0.000 1.782 23 R CA -2.290 53.716 56.100 -0.157 0.000 1.310 23 R CB -0.236 29.945 30.300 -0.199 0.000 1.337 23 R HN -0.898 7.164 8.270 -0.121 0.136 0.546 24 P HA -0.105 nan 4.420 nan 0.000 0.215 24 P C -0.726 176.451 177.300 -0.204 0.000 1.160 24 P CA 0.606 63.628 63.100 -0.129 0.000 0.869 24 P CB 0.217 31.883 31.700 -0.058 0.000 0.782 25 L N -1.992 119.153 121.223 -0.130 0.000 2.543 25 L HA -0.170 nan 4.340 nan 0.000 0.285 25 L C -0.144 176.610 176.870 -0.195 0.000 1.236 25 L CA 0.448 55.236 54.840 -0.087 0.000 0.871 25 L CB 0.486 42.525 42.059 -0.033 0.000 1.121 25 L HN -0.469 7.704 8.230 -0.095 0.000 0.501 26 H N 2.424 121.501 119.070 0.012 0.000 2.726 26 H HA 0.143 nan 4.556 nan 0.000 0.244 26 H C -1.020 174.318 175.328 0.016 0.000 1.669 26 H CA -0.527 55.533 56.048 0.021 0.000 1.293 26 H CB -1.442 28.333 29.762 0.022 0.000 1.640 26 H HN 0.258 8.638 8.280 0.168 0.000 0.553 27 I N 3.077 123.675 120.570 0.046 0.000 2.412 27 I HA 0.091 nan 4.170 nan 0.000 0.296 27 I C -1.669 174.463 176.117 0.024 0.000 0.987 27 I CA -2.191 59.129 61.300 0.032 0.000 1.180 27 I CB 1.119 39.116 38.000 -0.004 0.000 1.340 27 I HN -0.500 7.706 8.210 -0.006 0.000 0.455 28 L N 3.595 124.828 121.223 0.017 0.000 2.331 28 L HA 0.411 nan 4.340 nan 0.000 0.275 28 L C -1.096 175.747 176.870 -0.044 0.000 1.022 28 L CA -3.116 51.723 54.840 -0.003 0.000 0.812 28 L CB 0.847 42.920 42.059 0.025 0.000 1.257 28 L HN 0.116 8.360 8.230 0.022 0.000 0.435 29 P HA 0.090 nan 4.420 nan 0.000 0.341 29 P C -1.093 176.114 177.300 -0.156 0.000 1.407 29 P CA -0.649 62.346 63.100 -0.175 0.000 0.837 29 P CB 0.829 32.320 31.700 -0.348 0.000 2.024 30 S N -1.370 114.181 115.700 -0.248 0.000 2.616 30 S HA 0.450 nan 4.470 nan 0.000 0.277 30 S C -0.415 173.915 174.600 -0.449 0.000 1.234 30 S CA -3.264 54.646 58.200 -0.483 0.000 1.028 30 S CB 0.630 63.668 63.200 -0.271 0.000 0.988 30 S HN -0.337 8.019 8.310 -0.143 -0.132 0.522 31 P HA -0.248 nan 4.420 nan 0.000 0.216 31 P C 0.399 177.568 177.300 -0.218 0.000 1.150 31 P CA 2.628 65.510 63.100 -0.363 0.000 0.843 31 P CB 0.022 31.511 31.700 -0.352 0.000 0.787 32 K N -3.300 116.981 120.400 -0.198 0.000 2.057 32 K HA -0.279 nan 4.320 nan 0.000 0.207 32 K C 0.819 177.364 176.600 -0.092 0.000 1.049 32 K CA 3.071 59.288 56.287 -0.115 0.000 0.931 32 K CB -1.084 31.364 32.500 -0.088 0.000 0.714 32 K HN -0.392 7.697 8.250 -0.252 0.010 0.440 33 D N -0.940 119.398 120.400 -0.104 0.000 2.103 33 D HA -0.138 nan 4.640 nan 0.000 0.199 33 D C 1.828 178.099 176.300 -0.048 0.000 0.978 33 D CA 1.711 55.670 54.000 -0.068 0.000 0.829 33 D CB 0.125 40.887 40.800 -0.064 0.000 0.981 33 D HN -0.597 7.584 8.370 -0.144 0.103 0.464 34 V N -1.855 118.021 119.914 -0.062 0.000 2.332 34 V HA -0.303 nan 4.120 nan 0.000 0.248 34 V C 0.103 176.205 176.094 0.014 0.000 1.055 34 V CA 1.803 64.108 62.300 0.009 0.000 1.038 34 V CB 0.188 31.993 31.823 -0.029 0.000 0.651 34 V HN -0.003 8.117 8.190 -0.117 0.000 0.450 35 N N -1.501 117.172 118.700 -0.046 0.000 2.671 35 N HA -0.446 nan 4.740 nan 0.000 0.261 35 N C -0.594 174.881 175.510 -0.058 0.000 1.053 35 N CA 0.314 53.333 53.050 -0.052 0.000 0.732 35 N CB -0.419 38.043 38.487 -0.041 0.000 0.887 35 N HN 0.009 8.344 8.380 -0.081 -0.004 0.546 36 T N 0.871 115.364 114.554 -0.101 0.000 2.834 36 T HA 0.069 nan 4.350 nan 0.000 0.298 36 T C -0.038 174.455 174.700 -0.345 0.000 0.966 36 T CA 1.268 63.240 62.100 -0.213 0.000 1.141 36 T CB -0.110 68.589 68.868 -0.282 0.000 0.905 36 T HN 0.140 8.318 8.240 -0.103 0.000 0.535 37 R N 4.904 125.154 120.500 -0.417 0.000 2.670 37 R HA 0.551 nan 4.340 nan 0.000 0.289 37 R C -1.193 174.743 176.300 -0.607 0.000 0.965 37 R CA -1.951 53.917 56.100 -0.386 0.000 0.899 37 R CB 3.577 33.753 30.300 -0.206 0.000 1.173 37 R HN 0.871 8.827 8.270 -0.346 0.107 0.456 38 F N 1.186 121.072 119.950 -0.106 0.000 2.361 38 F HA 0.532 nan 4.527 nan 0.000 0.364 38 F C -1.051 174.654 175.800 -0.159 0.000 1.117 38 F CA -1.258 56.648 58.000 -0.156 0.000 1.071 38 F CB 0.897 39.739 39.000 -0.263 0.000 1.188 38 F HN 0.327 8.623 8.300 -0.007 0.000 0.464 39 L N 3.369 124.525 121.223 -0.112 0.000 2.276 39 L HA 0.548 nan 4.340 nan 0.000 0.286 39 L C -1.546 175.265 176.870 -0.098 0.000 1.024 39 L CA -1.373 53.302 54.840 -0.276 0.000 0.826 39 L CB 0.463 42.063 42.059 -0.766 0.000 1.211 39 L HN 0.710 8.872 8.230 -0.114 0.000 0.422 40 L N 5.756 126.965 121.223 -0.024 0.000 2.312 40 L HA 0.560 nan 4.340 nan 0.000 0.281 40 L C -2.132 174.705 176.870 -0.056 0.000 1.070 40 L CA -1.098 53.764 54.840 0.036 0.000 0.805 40 L CB 2.038 44.163 42.059 0.110 0.000 1.174 40 L HN 0.514 8.649 8.230 0.015 0.104 0.434 41 Y N 4.887 125.285 120.300 0.164 0.000 2.499 41 Y HA 0.508 nan 4.550 nan 0.000 0.347 41 Y C -1.729 174.309 175.900 0.231 0.000 0.987 41 Y CA -1.283 56.954 58.100 0.228 0.000 1.044 41 Y CB 4.480 43.144 38.460 0.340 0.000 1.245 41 Y HN 1.027 9.392 8.280 0.316 0.105 0.461 42 T N -3.143 111.509 114.554 0.164 0.000 2.731 42 T HA 0.415 nan 4.350 nan 0.000 0.300 42 T C -1.291 172.871 174.700 -0.898 0.000 1.283 42 T CA -1.853 60.141 62.100 -0.177 0.000 1.005 42 T CB 2.912 71.722 68.868 -0.097 0.000 1.420 42 T HN 0.132 8.311 8.240 0.107 0.125 0.503 43 N N -0.936 117.289 118.700 -0.792 0.000 2.244 43 N HA -0.145 nan 4.740 nan 0.000 0.183 43 N C 1.156 176.428 175.510 -0.397 0.000 1.016 43 N CA 2.677 55.287 53.050 -0.734 0.000 0.866 43 N CB 0.209 38.517 38.487 -0.300 0.000 0.980 43 N HN 0.446 8.573 8.380 -0.422 0.000 0.430 44 E N -1.581 118.464 120.200 -0.260 0.000 2.107 44 E HA -0.122 nan 4.350 nan 0.000 0.191 44 E C -0.030 176.492 176.600 -0.129 0.000 0.982 44 E CA 1.755 58.067 56.400 -0.148 0.000 0.809 44 E CB 0.317 29.960 29.700 -0.094 0.000 0.756 44 E HN -0.208 7.979 8.360 -0.250 0.022 0.459 45 N N -3.017 115.597 118.700 -0.142 0.000 2.791 45 N HA 0.366 nan 4.740 nan 0.000 0.265 45 N C -1.335 174.183 175.510 0.013 0.000 1.580 45 N CA -2.555 50.459 53.050 -0.059 0.000 0.809 45 N CB 0.236 38.704 38.487 -0.031 0.000 1.178 45 N HN -0.302 7.860 8.380 -0.188 0.104 0.499 46 P HA 0.075 nan 4.420 nan 0.000 0.229 46 P C -0.920 176.579 177.300 0.330 0.000 1.160 46 P CA 1.606 64.775 63.100 0.116 0.000 0.777 46 P CB 0.195 31.889 31.700 -0.011 0.000 0.814 47 N N -2.670 116.184 118.700 0.258 0.000 2.210 47 N HA 0.071 nan 4.740 nan 0.000 0.203 47 N C -1.291 174.388 175.510 0.282 0.000 1.175 47 N CA 0.341 53.550 53.050 0.266 0.000 0.894 47 N CB 1.598 40.162 38.487 0.127 0.000 1.041 47 N HN -0.136 8.296 8.380 0.160 0.044 0.506 48 N N -0.724 118.071 118.700 0.157 0.000 2.354 48 N HA 0.188 nan 4.740 nan 0.000 0.287 48 N C -1.741 173.612 175.510 -0.262 0.000 1.016 48 N CA -0.685 52.319 53.050 -0.077 0.000 0.871 48 N CB 2.486 40.903 38.487 -0.117 0.000 1.299 48 N HN -0.475 7.998 8.380 0.155 0.000 0.482 49 F N -0.629 119.037 119.950 -0.474 0.000 2.396 49 F HA 0.155 nan 4.527 nan 0.000 0.343 49 F C -0.541 175.082 175.800 -0.295 0.000 1.104 49 F CA -2.129 55.459 58.000 -0.688 0.000 1.161 49 F CB 0.773 39.281 39.000 -0.820 0.000 1.146 49 F HN 0.076 7.992 8.300 -0.640 0.000 0.522 50 Q N 3.630 123.476 119.800 0.076 0.000 2.340 50 Q HA 0.132 nan 4.340 nan 0.000 0.259 50 Q C -0.823 175.285 176.000 0.180 0.000 0.964 50 Q CA -1.362 54.507 55.803 0.109 0.000 0.900 50 Q CB 1.517 30.288 28.738 0.056 0.000 1.228 50 Q HN 0.508 8.661 8.270 -0.023 0.103 0.449 51 E N 6.835 127.177 120.200 0.237 0.000 2.220 51 E HA 0.049 nan 4.350 nan 0.000 0.272 51 E C -0.846 175.846 176.600 0.154 0.000 1.099 51 E CA 0.183 56.684 56.400 0.168 0.000 0.907 51 E CB 0.255 30.060 29.700 0.175 0.000 1.022 51 E HN 0.284 8.794 8.360 0.251 0.000 0.428 52 V N 0.549 120.576 119.914 0.189 0.000 3.234 52 V HA 0.644 nan 4.120 nan 0.000 0.317 52 V C -2.601 173.689 176.094 0.327 0.000 1.147 52 V CA -3.351 59.084 62.300 0.225 0.000 1.037 52 V CB 3.506 35.475 31.823 0.244 0.000 1.148 52 V HN 0.239 8.545 8.190 0.192 0.000 0.455 53 A N -1.931 121.083 122.820 0.324 0.000 2.601 53 A HA 0.366 nan 4.320 nan 0.000 0.291 53 A C -1.453 176.182 177.584 0.085 0.000 1.075 53 A CA -0.562 51.693 52.037 0.362 0.000 0.671 53 A CB 2.573 21.700 19.000 0.212 0.000 1.277 53 A HN -0.030 8.254 8.150 0.223 0.000 0.417 54 A N 0.619 123.398 122.820 -0.069 0.000 3.076 54 A HA -0.080 nan 4.320 nan 0.000 0.269 54 A C -1.537 175.292 177.584 -1.259 0.000 1.916 54 A CA -0.055 51.463 52.037 -0.864 0.000 1.492 54 A CB -1.554 17.169 19.000 -0.462 0.000 1.000 54 A HN 0.487 8.761 8.150 0.207 0.000 0.615 55 D N -1.469 118.418 120.400 -0.855 0.000 2.931 55 D HA 0.088 nan 4.640 nan 0.000 0.215 55 D C -0.004 176.348 176.300 0.087 0.000 1.297 55 D CA -0.980 52.788 54.000 -0.388 0.000 0.892 55 D CB 2.149 42.852 40.800 -0.162 0.000 1.642 55 D HN -0.282 7.735 8.370 -0.504 0.051 0.560 56 S N 4.754 120.661 115.700 0.345 0.000 2.389 56 S HA -0.462 nan 4.470 nan 0.000 0.231 56 S C 1.604 176.328 174.600 0.207 0.000 1.052 56 S CA 3.839 62.242 58.200 0.338 0.000 1.053 56 S CB -0.301 62.989 63.200 0.151 0.000 0.886 56 S HN 0.479 8.991 8.310 0.337 0.000 0.456 57 S N 1.505 117.274 115.700 0.116 0.000 2.382 57 S HA -0.251 nan 4.470 nan 0.000 0.228 57 S C 2.282 176.930 174.600 0.080 0.000 1.027 57 S CA 3.160 61.409 58.200 0.083 0.000 0.991 57 S CB -0.600 62.632 63.200 0.052 0.000 0.823 57 S HN -0.116 8.276 8.310 0.091 -0.027 0.469 58 S N 3.019 118.764 115.700 0.076 0.000 2.335 58 S HA -0.213 nan 4.470 nan 0.000 0.216 58 S C 1.743 176.378 174.600 0.058 0.000 1.032 58 S CA 3.646 61.887 58.200 0.068 0.000 1.000 58 S CB -0.253 62.988 63.200 0.068 0.000 0.928 58 S HN -0.308 8.189 8.310 0.072 -0.144 0.434 59 I N 0.732 121.321 120.570 0.032 0.000 2.194 59 I HA -0.490 nan 4.170 nan 0.000 0.246 59 I C 2.488 178.582 176.117 -0.038 0.000 1.093 59 I CA 2.703 63.930 61.300 -0.122 0.000 1.355 59 I CB -1.146 36.632 38.000 -0.369 0.000 1.046 59 I HN -0.578 7.679 8.210 0.078 0.000 0.413 60 S N 0.829 116.571 115.700 0.071 0.000 2.348 60 S HA -0.267 nan 4.470 nan 0.000 0.221 60 S C 2.133 176.771 174.600 0.063 0.000 1.033 60 S CA 3.065 61.319 58.200 0.091 0.000 1.010 60 S CB -0.159 63.121 63.200 0.133 0.000 0.891 60 S HN 0.279 8.670 8.310 0.137 0.002 0.442 61 G N 1.444 110.280 108.800 0.060 0.000 2.432 61 G HA2 -0.187 nan 3.960 nan 0.000 0.219 61 G HA3 -0.187 nan 3.960 nan 0.000 0.219 61 G C 0.023 174.950 174.900 0.045 0.000 1.135 61 G CA 0.446 45.575 45.100 0.048 0.000 0.767 61 G HN 0.060 8.278 8.290 0.067 0.112 0.550 62 S N 0.863 116.595 115.700 0.055 0.000 2.640 62 S HA 0.087 nan 4.470 nan 0.000 0.262 62 S C 0.595 175.234 174.600 0.065 0.000 1.232 62 S CA -0.184 58.054 58.200 0.063 0.000 0.988 62 S CB 1.385 64.639 63.200 0.090 0.000 1.034 62 S HN -0.528 7.793 8.310 0.056 0.023 0.569 63 N N -1.335 117.403 118.700 0.063 0.000 2.461 63 N HA 0.059 nan 4.740 nan 0.000 0.188 63 N C -0.895 174.641 175.510 0.044 0.000 1.134 63 N CA 0.484 53.554 53.050 0.035 0.000 0.878 63 N CB 0.636 39.125 38.487 0.003 0.000 0.972 63 N HN 0.189 8.960 8.380 0.065 -0.353 0.456 64 F N 1.571 121.476 119.950 -0.075 0.000 2.590 64 F HA -0.301 nan 4.527 nan 0.000 0.389 64 F C -1.072 174.628 175.800 -0.168 0.000 1.049 64 F CA 1.254 59.178 58.000 -0.127 0.000 1.199 64 F CB 0.113 39.008 39.000 -0.176 0.000 1.058 64 F HN -0.987 7.378 8.300 0.223 0.069 0.556 65 K N 8.559 128.680 120.400 -0.465 0.000 2.235 65 K HA 0.204 nan 4.320 nan 0.000 0.266 65 K C -0.217 176.094 176.600 -0.481 0.000 0.980 65 K CA -1.039 55.072 56.287 -0.294 0.000 0.849 65 K CB 1.436 33.827 32.500 -0.182 0.000 1.098 65 K HN -0.009 8.165 8.250 -0.658 -0.318 0.445 66 T N 4.578 119.014 114.554 -0.198 0.000 3.163 66 T HA -0.008 nan 4.350 nan 0.000 0.260 66 T C -0.735 174.032 174.700 0.112 0.000 1.156 66 T CA 1.749 63.787 62.100 -0.103 0.000 1.072 66 T CB -0.310 68.573 68.868 0.026 0.000 0.937 66 T HN 0.667 8.860 8.240 -0.078 0.000 0.528 67 N N -3.269 115.449 118.700 0.031 0.000 2.238 67 N HA 0.030 nan 4.740 nan 0.000 0.222 67 N C -0.869 174.680 175.510 0.064 0.000 1.133 67 N CA -0.356 52.741 53.050 0.078 0.000 0.854 67 N CB -0.609 37.901 38.487 0.039 0.000 1.041 67 N HN 0.016 8.274 8.380 -0.059 0.087 0.510 68 R N -2.432 118.100 120.500 0.055 0.000 2.774 68 R HA 0.345 nan 4.340 nan 0.000 0.272 68 R C -1.567 174.794 176.300 0.103 0.000 1.000 68 R CA -1.573 54.554 56.100 0.046 0.000 0.906 68 R CB 2.538 32.833 30.300 -0.009 0.000 1.227 68 R HN -0.931 7.291 8.270 0.025 0.063 0.468 69 K N 0.099 120.561 120.400 0.104 0.000 2.397 69 K HA -0.024 nan 4.320 nan 0.000 0.265 69 K C -0.740 175.941 176.600 0.136 0.000 0.982 69 K CA 1.280 57.655 56.287 0.146 0.000 0.931 69 K CB 0.764 33.342 32.500 0.128 0.000 0.943 69 K HN 0.432 8.733 8.250 0.084 0.000 0.501 70 T N 2.879 117.557 114.554 0.207 0.000 2.841 70 T HA 0.640 nan 4.350 nan 0.000 0.285 70 T C -1.643 173.132 174.700 0.125 0.000 0.991 70 T CA -0.403 61.762 62.100 0.108 0.000 0.966 70 T CB 1.673 70.666 68.868 0.208 0.000 0.962 70 T HN 0.209 8.611 8.240 0.270 0.000 0.438 71 R N 3.843 124.335 120.500 -0.014 0.000 2.439 71 R HA 0.872 nan 4.340 nan 0.000 0.310 71 R C -1.300 174.925 176.300 -0.124 0.000 0.955 71 R CA -1.729 54.386 56.100 0.025 0.000 0.853 71 R CB 3.066 33.397 30.300 0.052 0.000 1.171 71 R HN 0.572 8.793 8.270 -0.083 0.000 0.449 72 F N 3.626 123.569 119.950 -0.012 0.000 2.397 72 F HA 0.805 nan 4.527 nan 0.000 0.331 72 F C -0.862 174.876 175.800 -0.103 0.000 1.090 72 F CA -0.910 57.078 58.000 -0.021 0.000 1.065 72 F CB 2.833 41.840 39.000 0.011 0.000 1.184 72 F HN 0.893 9.410 8.300 0.362 0.000 0.499 73 I N 1.246 121.856 120.570 0.067 0.000 2.439 73 I HA 0.547 nan 4.170 nan 0.000 0.285 73 I C -1.607 174.490 176.117 -0.034 0.000 1.021 73 I CA -0.630 60.644 61.300 -0.044 0.000 1.091 73 I CB 2.115 40.025 38.000 -0.150 0.000 1.242 73 I HN 0.821 9.084 8.210 0.089 0.000 0.439 74 I N 6.606 127.172 120.570 -0.006 0.000 2.378 74 I HA 0.555 nan 4.170 nan 0.000 0.291 74 I C -0.821 175.360 176.117 0.108 0.000 0.992 74 I CA -1.418 59.867 61.300 -0.025 0.000 1.154 74 I CB 1.408 39.357 38.000 -0.085 0.000 1.315 74 I HN 0.797 9.011 8.210 0.006 0.000 0.448 75 H N 4.855 124.096 119.070 0.285 0.000 2.408 75 H HA 0.312 nan 4.556 nan 0.000 0.345 75 H C -0.488 175.150 175.328 0.516 0.000 1.547 75 H CA -1.821 54.459 56.048 0.386 0.000 1.447 75 H CB 1.488 31.339 29.762 0.149 0.000 1.686 75 H HN -0.230 7.874 8.280 -0.293 0.000 0.625 76 G N -2.798 106.435 108.800 0.721 0.000 3.008 76 G HA2 0.097 nan 3.960 nan 0.000 0.181 76 G HA3 0.097 nan 3.960 nan 0.000 0.181 76 G C -1.527 173.684 174.900 0.519 0.000 1.309 76 G CA -1.683 43.784 45.100 0.611 0.000 1.009 76 G HN 0.180 8.933 8.290 0.771 0.000 0.584 77 F N 0.467 120.567 119.950 0.251 0.000 2.602 77 F HA -0.250 nan 4.527 nan 0.000 0.367 77 F C 0.475 176.279 175.800 0.006 0.000 1.126 77 F CA -0.106 57.957 58.000 0.106 0.000 1.321 77 F CB 0.341 39.458 39.000 0.195 0.000 1.094 77 F HN -0.039 8.619 8.300 0.598 0.000 0.594 78 I N 1.840 122.056 120.570 -0.588 0.000 3.885 78 I HA -0.662 nan 4.170 nan 0.000 0.146 78 I C -0.423 175.498 176.117 -0.328 0.000 0.350 78 I CA 2.178 63.155 61.300 -0.538 0.000 1.245 78 I CB -0.735 36.959 38.000 -0.511 0.000 1.094 78 I HN 0.570 8.264 8.210 -0.696 0.098 0.213 79 D N -0.178 120.052 120.400 -0.284 0.000 2.414 79 D HA -0.000 nan 4.640 nan 0.000 0.251 79 D C -1.632 174.144 176.300 -0.874 0.000 1.252 79 D CA 0.638 54.416 54.000 -0.370 0.000 0.999 79 D CB 1.167 41.872 40.800 -0.159 0.000 1.093 79 D HN -0.524 7.617 8.370 -0.175 0.124 0.515 80 K N -4.713 115.192 120.400 -0.824 0.000 2.482 80 K HA 0.192 nan 4.320 nan 0.000 0.257 80 K C 0.481 176.757 176.600 -0.541 0.000 0.969 80 K CA -1.638 54.177 56.287 -0.786 0.000 0.842 80 K CB 2.410 34.690 32.500 -0.367 0.000 1.359 80 K HN -0.532 7.415 8.250 -0.504 0.000 0.441 81 G N -0.944 107.727 108.800 -0.215 0.000 2.559 81 G HA2 -0.138 nan 3.960 nan 0.000 0.216 81 G HA3 -0.138 nan 3.960 nan 0.000 0.216 81 G C -0.459 174.315 174.900 -0.210 0.000 1.126 81 G CA 1.625 46.657 45.100 -0.114 0.000 0.778 81 G HN 0.572 9.140 8.290 -0.140 -0.362 0.543 82 E N -2.347 117.743 120.200 -0.183 0.000 2.479 82 E HA 0.063 nan 4.350 nan 0.000 0.193 82 E C 0.353 176.893 176.600 -0.100 0.000 1.049 82 E CA -0.125 56.224 56.400 -0.085 0.000 0.870 82 E CB -0.264 29.433 29.700 -0.006 0.000 0.944 82 E HN -0.000 8.183 8.360 -0.197 0.058 0.492 83 E N 1.264 121.342 120.200 -0.204 0.000 2.442 83 E HA -0.139 nan 4.350 nan 0.000 0.262 83 E C 0.415 176.909 176.600 -0.177 0.000 1.004 83 E CA -0.111 56.198 56.400 -0.152 0.000 0.928 83 E CB 0.285 29.838 29.700 -0.246 0.000 0.937 83 E HN -0.675 7.343 8.360 -0.281 0.173 0.446 84 N N 5.280 123.983 118.700 0.005 0.000 2.149 84 N HA -0.291 nan 4.740 nan 0.000 0.188 84 N C 1.796 177.301 175.510 -0.008 0.000 1.019 84 N CA 3.343 56.403 53.050 0.018 0.000 0.857 84 N CB -0.200 38.355 38.487 0.112 0.000 0.997 84 N HN 0.488 8.938 8.380 0.116 0.000 0.426 85 W N -1.469 119.765 121.300 -0.111 0.000 2.342 85 W HA -0.367 nan 4.660 nan 0.000 0.297 85 W C 0.841 177.198 176.519 -0.270 0.000 1.213 85 W CA 1.686 58.898 57.345 -0.222 0.000 1.251 85 W CB -0.722 28.443 29.460 -0.491 0.000 1.136 85 W HN -0.462 7.814 8.180 0.181 0.012 0.526 86 L N 1.003 121.717 121.223 -0.848 0.000 1.961 86 L HA -0.457 nan 4.340 nan 0.000 0.210 86 L C 2.814 179.435 176.870 -0.416 0.000 1.072 86 L CA 3.216 57.541 54.840 -0.858 0.000 0.749 86 L CB -0.712 40.779 42.059 -0.946 0.000 0.889 86 L HN -0.683 6.899 8.230 -1.059 0.012 0.432 87 A N -1.856 120.740 122.820 -0.373 0.000 2.024 87 A HA -0.455 nan 4.320 nan 0.000 0.220 87 A C 1.918 179.306 177.584 -0.327 0.000 1.164 87 A CA 2.894 54.655 52.037 -0.461 0.000 0.643 87 A CB -1.302 17.425 19.000 -0.454 0.000 0.806 87 A HN -0.369 7.569 8.150 -0.354 0.000 0.451 88 N N -2.466 116.130 118.700 -0.173 0.000 2.289 88 N HA -0.294 nan 4.740 nan 0.000 0.184 88 N C 2.250 177.714 175.510 -0.076 0.000 1.016 88 N CA 2.856 55.865 53.050 -0.068 0.000 0.872 88 N CB 0.330 38.845 38.487 0.046 0.000 0.973 88 N HN -0.131 8.040 8.380 -0.160 0.113 0.433 89 V N 0.170 120.028 119.914 -0.093 0.000 2.323 89 V HA -0.346 nan 4.120 nan 0.000 0.244 89 V C 1.578 177.521 176.094 -0.253 0.000 1.041 89 V CA 3.796 66.045 62.300 -0.085 0.000 1.025 89 V CB -0.480 31.328 31.823 -0.026 0.000 0.656 89 V HN -0.156 7.832 8.190 -0.107 0.138 0.451 90 c N -0.340 118.027 118.600 -0.389 0.000 2.413 90 c HA -0.456 nan 4.570 nan 0.000 0.276 90 c C 1.945 175.395 174.090 -1.068 0.000 1.236 90 c CA 4.284 60.174 56.329 -0.730 0.000 1.735 90 c CB -2.098 40.016 42.510 -0.661 0.000 2.031 90 c HN -0.505 7.517 8.230 -0.347 0.000 0.474 91 K N -1.712 118.360 120.400 -0.548 0.000 2.147 91 K HA -0.361 nan 4.320 nan 0.000 0.205 91 K C 2.096 178.600 176.600 -0.160 0.000 1.049 91 K CA 3.243 59.392 56.287 -0.230 0.000 0.936 91 K CB -0.524 31.946 32.500 -0.051 0.000 0.722 91 K HN 0.036 8.042 8.250 -0.407 0.000 0.446 92 N N -1.470 117.116 118.700 -0.190 0.000 2.354 92 N HA -0.088 nan 4.740 nan 0.000 0.179 92 N C 2.064 177.483 175.510 -0.151 0.000 1.021 92 N CA 1.872 54.859 53.050 -0.106 0.000 0.887 92 N CB 0.049 38.493 38.487 -0.071 0.000 0.974 92 N HN -0.770 7.354 8.380 -0.223 0.121 0.437 93 L N 0.211 121.254 121.223 -0.301 0.000 2.093 93 L HA -0.304 nan 4.340 nan 0.000 0.208 93 L C 1.993 178.806 176.870 -0.095 0.000 1.085 93 L CA 3.122 57.801 54.840 -0.269 0.000 0.755 93 L CB -0.132 41.721 42.059 -0.344 0.000 0.904 93 L HN -0.223 7.650 8.230 -0.400 0.117 0.435 94 F N -2.127 117.824 119.950 0.002 0.000 2.451 94 F HA -0.221 nan 4.527 nan 0.000 0.299 94 F C 1.155 176.970 175.800 0.025 0.000 1.101 94 F CA 1.307 59.318 58.000 0.017 0.000 1.436 94 F CB -1.337 37.672 39.000 0.015 0.000 1.074 94 F HN 0.132 7.999 8.300 -0.553 0.101 0.553 95 K N -1.804 118.690 120.400 0.155 0.000 2.432 95 K HA -0.091 nan 4.320 nan 0.000 0.196 95 K C 0.511 177.176 176.600 0.108 0.000 1.038 95 K CA 1.222 57.578 56.287 0.115 0.000 0.986 95 K CB 0.553 33.100 32.500 0.078 0.000 0.782 95 K HN -0.399 7.712 8.250 0.077 0.185 0.485 96 V N -8.578 111.404 119.914 0.114 0.000 3.392 96 V HA 0.374 nan 4.120 nan 0.000 0.285 96 V C -1.100 175.081 176.094 0.145 0.000 1.582 96 V CA -0.787 61.591 62.300 0.130 0.000 1.034 96 V CB 1.536 33.455 31.823 0.159 0.000 0.846 96 V HN -0.176 7.909 8.190 0.112 0.172 0.431 97 E N -1.786 118.505 120.200 0.152 0.000 2.429 97 E HA 0.258 nan 4.350 nan 0.000 0.280 97 E C -2.432 174.273 176.600 0.175 0.000 1.068 97 E CA -1.814 54.678 56.400 0.154 0.000 0.837 97 E CB 2.432 32.232 29.700 0.166 0.000 1.357 97 E HN -0.426 8.031 8.360 0.163 0.000 0.455 98 S N 0.390 116.170 115.700 0.133 0.000 2.457 98 S HA 0.480 nan 4.470 nan 0.000 0.289 98 S C -1.858 172.815 174.600 0.120 0.000 1.163 98 S CA -1.044 57.223 58.200 0.112 0.000 1.078 98 S CB 0.585 63.816 63.200 0.052 0.000 0.987 98 S HN 0.014 8.391 8.310 0.112 0.000 0.482 99 V N 4.240 124.249 119.914 0.159 0.000 3.225 99 V HA 0.288 nan 4.120 nan 0.000 0.293 99 V C -2.161 174.004 176.094 0.119 0.000 1.405 99 V CA -0.886 61.492 62.300 0.131 0.000 1.038 99 V CB 4.616 36.539 31.823 0.167 0.000 1.123 99 V HN 0.721 9.384 8.190 0.192 -0.357 0.447 100 N N 3.844 122.532 118.700 -0.020 0.000 2.462 100 N HA 0.296 nan 4.740 nan 0.000 0.242 100 N C -1.880 173.628 175.510 -0.003 0.000 1.010 100 N CA -0.890 52.112 53.050 -0.080 0.000 0.939 100 N CB 0.347 38.613 38.487 -0.369 0.000 1.127 100 N HN -0.146 8.203 8.380 -0.051 0.000 0.509 101 c N 5.486 124.164 118.600 0.130 0.000 2.255 101 c HA 0.649 nan 4.570 nan 0.000 0.326 101 c C -1.713 172.420 174.090 0.071 0.000 1.258 101 c CA -1.634 54.741 56.329 0.078 0.000 1.676 101 c CB 0.350 42.919 42.510 0.098 0.000 2.314 101 c HN 0.686 9.067 8.230 0.251 0.000 0.509 102 I N 8.463 128.977 120.570 -0.094 0.000 2.382 102 I HA 0.490 nan 4.170 nan 0.000 0.286 102 I C -1.633 174.475 176.117 -0.014 0.000 1.002 102 I CA -1.336 59.907 61.300 -0.094 0.000 1.135 102 I CB 2.638 40.396 38.000 -0.404 0.000 1.288 102 I HN 1.034 9.138 8.210 -0.177 0.000 0.448 103 C N 8.566 127.881 119.300 0.025 0.000 2.325 103 C HA 0.450 nan 4.460 nan 0.000 0.347 103 C C -0.238 174.721 174.990 -0.051 0.000 1.263 103 C CA -0.762 58.236 59.018 -0.034 0.000 1.806 103 C CB -0.828 26.882 27.740 -0.050 0.000 2.405 103 C HN 0.761 9.027 8.230 0.060 0.000 0.537 104 V N 6.578 126.471 119.914 -0.034 0.000 2.348 104 V HA 0.154 nan 4.120 nan 0.000 0.270 104 V C -1.763 174.295 176.094 -0.060 0.000 1.037 104 V CA -0.256 61.975 62.300 -0.114 0.000 0.872 104 V CB -0.092 31.675 31.823 -0.094 0.000 1.002 104 V HN 0.995 9.063 8.190 -0.021 0.109 0.464 105 D N 5.913 126.261 120.400 -0.088 0.000 2.177 105 D HA 0.305 nan 4.640 nan 0.000 0.247 105 D C -1.100 175.293 176.300 0.154 0.000 1.063 105 D CA -1.088 52.970 54.000 0.096 0.000 0.867 105 D CB 2.978 43.736 40.800 -0.069 0.000 1.168 105 D HN 0.232 8.462 8.370 -0.234 0.000 0.445 106 W N 2.113 123.468 121.300 0.092 0.000 0.996 106 W HA 0.438 nan 4.660 nan 0.000 0.266 106 W C -0.868 175.713 176.519 0.104 0.000 0.852 106 W CA -1.806 55.533 57.345 -0.010 0.000 1.915 106 W CB -0.621 28.765 29.460 -0.124 0.000 1.130 106 W HN 0.211 8.692 8.180 0.502 0.000 0.457 107 K N 1.757 122.058 120.400 -0.164 0.000 2.360 107 K HA -0.270 nan 4.320 nan 0.000 0.201 107 K C 1.650 178.152 176.600 -0.164 0.000 1.046 107 K CA 3.226 59.339 56.287 -0.290 0.000 0.945 107 K CB -1.166 31.172 32.500 -0.270 0.000 0.750 107 K HN -0.734 7.818 8.250 -0.082 -0.351 0.464 108 G N -1.210 107.553 108.800 -0.062 0.000 2.448 108 G HA2 -0.162 nan 3.960 nan 0.000 0.219 108 G HA3 -0.162 nan 3.960 nan 0.000 0.219 108 G C 0.183 175.090 174.900 0.012 0.000 1.127 108 G CA 1.051 46.135 45.100 -0.027 0.000 0.766 108 G HN 0.032 8.265 8.290 -0.034 0.037 0.552 109 G N -1.343 107.508 108.800 0.087 0.000 3.079 109 G HA2 0.301 nan 3.960 nan 0.000 0.233 109 G HA3 0.301 nan 3.960 nan 0.000 0.233 109 G C -0.323 174.660 174.900 0.139 0.000 1.062 109 G CA -0.431 44.785 45.100 0.194 0.000 0.809 109 G HN -0.224 7.970 8.290 0.100 0.156 0.535 110 S N -0.357 115.173 115.700 -0.283 0.000 2.486 110 S HA -0.052 nan 4.470 nan 0.000 0.220 110 S C 1.012 175.468 174.600 -0.240 0.000 1.011 110 S CA 0.915 58.832 58.200 -0.471 0.000 0.921 110 S CB 1.070 63.582 63.200 -1.147 0.000 0.785 110 S HN -0.570 7.417 8.310 -0.338 0.120 0.517 111 R N 1.105 121.466 120.500 -0.232 0.000 4.518 111 R HA 0.156 nan 4.340 nan 0.000 0.243 111 R C -1.059 175.188 176.300 -0.088 0.000 1.720 111 R CA -0.220 55.741 56.100 -0.232 0.000 1.526 111 R CB -0.930 29.245 30.300 -0.208 0.000 1.425 111 R HN -0.571 7.572 8.270 -0.211 0.000 0.787 112 T N -1.585 112.992 114.554 0.039 0.000 2.618 112 T HA 0.274 nan 4.350 nan 0.000 0.286 112 T C -1.054 173.826 174.700 0.300 0.000 1.027 112 T CA -2.038 60.139 62.100 0.128 0.000 1.063 112 T CB 1.462 70.399 68.868 0.116 0.000 1.440 112 T HN -0.605 7.632 8.240 0.105 0.066 0.505 113 G N 0.438 109.374 108.800 0.227 0.000 2.432 113 G HA2 0.132 nan 3.960 nan 0.000 0.239 113 G HA3 0.132 nan 3.960 nan 0.000 0.239 113 G C 0.027 175.073 174.900 0.243 0.000 1.291 113 G CA -0.411 44.837 45.100 0.246 0.000 0.863 113 G HN 0.076 8.456 8.290 0.150 0.000 0.560 114 Y N 4.270 124.582 120.300 0.020 0.000 2.165 114 Y HA -0.347 nan 4.550 nan 0.000 0.286 114 Y C 1.840 177.642 175.900 -0.163 0.000 1.155 114 Y CA 4.074 61.945 58.100 -0.380 0.000 1.164 114 Y CB 0.022 38.134 38.460 -0.579 0.000 0.978 114 Y HN 0.318 8.788 8.280 0.316 0.000 0.513 115 T N -0.114 114.361 114.554 -0.132 0.000 2.803 115 T HA -0.344 nan 4.350 nan 0.000 0.269 115 T C 2.154 176.757 174.700 -0.161 0.000 1.052 115 T CA 3.905 65.905 62.100 -0.167 0.000 1.136 115 T CB -0.950 67.897 68.868 -0.036 0.000 0.864 115 T HN 0.107 8.378 8.240 0.052 0.000 0.467 116 Q N 1.543 121.299 119.800 -0.072 0.000 2.187 116 Q HA -0.163 nan 4.340 nan 0.000 0.199 116 Q C 1.690 177.693 176.000 0.004 0.000 0.957 116 Q CA 2.182 57.974 55.803 -0.018 0.000 0.857 116 Q CB -0.698 28.062 28.738 0.036 0.000 0.929 116 Q HN -0.429 7.715 8.270 -0.028 0.109 0.453 117 A N -0.087 122.735 122.820 0.004 0.000 1.930 117 A HA -0.236 nan 4.320 nan 0.000 0.217 117 A C 2.233 179.841 177.584 0.039 0.000 1.175 117 A CA 3.081 55.212 52.037 0.157 0.000 0.627 117 A CB -0.813 18.332 19.000 0.241 0.000 0.815 117 A HN 0.078 8.101 8.150 -0.048 0.098 0.443 118 S N -2.000 113.550 115.700 -0.250 0.000 2.382 118 S HA -0.337 nan 4.470 nan 0.000 0.228 118 S C 2.388 176.978 174.600 -0.016 0.000 1.027 118 S CA 3.924 62.030 58.200 -0.157 0.000 0.991 118 S CB -0.313 62.649 63.200 -0.397 0.000 0.823 118 S HN 0.101 8.137 8.310 -0.457 0.000 0.469 119 Q N 0.259 120.023 119.800 -0.061 0.000 2.096 119 Q HA -0.118 nan 4.340 nan 0.000 0.197 119 Q C 2.246 178.196 176.000 -0.083 0.000 0.964 119 Q CA 2.247 58.023 55.803 -0.046 0.000 0.838 119 Q CB -0.131 28.573 28.738 -0.057 0.000 0.906 119 Q HN -0.707 7.402 8.270 -0.096 0.103 0.444 120 N N 1.040 119.705 118.700 -0.058 0.000 2.430 120 N HA -0.293 nan 4.740 nan 0.000 0.186 120 N C 2.127 177.478 175.510 -0.265 0.000 1.032 120 N CA 2.756 55.750 53.050 -0.093 0.000 0.893 120 N CB -0.867 37.694 38.487 0.124 0.000 0.957 120 N HN -0.076 8.127 8.380 -0.009 0.172 0.442 121 I N 0.346 120.764 120.570 -0.252 0.000 2.264 121 I HA -0.407 nan 4.170 nan 0.000 0.248 121 I C 1.132 177.104 176.117 -0.240 0.000 1.111 121 I CA 1.957 63.048 61.300 -0.348 0.000 1.382 121 I CB -0.884 37.063 38.000 -0.087 0.000 1.060 121 I HN -0.482 7.604 8.210 -0.114 0.056 0.418 122 R N -1.124 119.294 120.500 -0.137 0.000 2.189 122 R HA -0.155 nan 4.340 nan 0.000 0.218 122 R C 2.721 178.955 176.300 -0.111 0.000 1.074 122 R CA 3.027 59.091 56.100 -0.061 0.000 0.991 122 R CB -0.685 29.605 30.300 -0.017 0.000 0.883 122 R HN 0.157 8.224 8.270 -0.126 0.127 0.457 123 I N 0.136 120.518 120.570 -0.313 0.000 2.333 123 I HA -0.227 nan 4.170 nan 0.000 0.246 123 I C 1.712 177.710 176.117 -0.198 0.000 1.106 123 I CA 2.520 63.619 61.300 -0.334 0.000 1.411 123 I CB -0.683 37.065 38.000 -0.421 0.000 1.082 123 I HN -0.548 7.323 8.210 -0.340 0.135 0.420 124 V N -0.067 119.664 119.914 -0.305 0.000 2.343 124 V HA -0.389 nan 4.120 nan 0.000 0.247 124 V C 2.153 178.120 176.094 -0.212 0.000 1.051 124 V CA 4.971 67.059 62.300 -0.354 0.000 1.036 124 V CB -1.211 30.170 31.823 -0.735 0.000 0.654 124 V HN -0.372 7.589 8.190 -0.382 0.000 0.451 125 G N -2.116 106.583 108.800 -0.169 0.000 2.446 125 G HA2 -0.399 nan 3.960 nan 0.000 0.217 125 G HA3 -0.399 nan 3.960 nan 0.000 0.217 125 G C 0.396 175.309 174.900 0.021 0.000 1.168 125 G CA 2.159 47.217 45.100 -0.069 0.000 0.771 125 G HN 0.138 8.303 8.290 -0.208 0.000 0.551 126 A N 1.656 124.523 122.820 0.078 0.000 1.892 126 A HA -0.326 nan 4.320 nan 0.000 0.218 126 A C 2.295 179.985 177.584 0.177 0.000 1.188 126 A CA 3.134 55.269 52.037 0.164 0.000 0.631 126 A CB -0.817 18.363 19.000 0.300 0.000 0.822 126 A HN -0.406 7.782 8.150 0.063 0.000 0.447 127 E N -2.511 117.767 120.200 0.129 0.000 2.118 127 E HA -0.335 nan 4.350 nan 0.000 0.195 127 E C 2.670 179.487 176.600 0.361 0.000 0.992 127 E CA 3.259 59.797 56.400 0.229 0.000 0.804 127 E CB -0.210 29.570 29.700 0.134 0.000 0.741 127 E HN 0.128 8.330 8.360 0.049 0.188 0.458 128 V N -0.558 119.474 119.914 0.198 0.000 2.453 128 V HA -0.239 nan 4.120 nan 0.000 0.247 128 V C 1.931 178.038 176.094 0.022 0.000 1.048 128 V CA 3.873 66.207 62.300 0.056 0.000 1.049 128 V CB -1.007 30.726 31.823 -0.150 0.000 0.672 128 V HN -0.149 7.998 8.190 0.093 0.099 0.457 129 A N 0.073 122.938 122.820 0.075 0.000 1.968 129 A HA -0.238 nan 4.320 nan 0.000 0.217 129 A C 1.336 178.994 177.584 0.124 0.000 1.169 129 A CA 3.144 55.228 52.037 0.077 0.000 0.638 129 A CB -0.629 18.419 19.000 0.080 0.000 0.812 129 A HN 0.151 8.353 8.150 0.087 0.000 0.446 130 Y N 0.396 120.761 120.300 0.108 0.000 2.114 130 Y HA -0.454 nan 4.550 nan 0.000 0.284 130 Y C 1.458 177.456 175.900 0.163 0.000 1.143 130 Y CA 4.026 62.200 58.100 0.124 0.000 1.135 130 Y CB 0.153 38.689 38.460 0.125 0.000 0.980 130 Y HN -0.152 8.304 8.280 0.320 0.016 0.499 131 F N -1.261 118.716 119.950 0.046 0.000 2.171 131 F HA -0.446 nan 4.527 nan 0.000 0.300 131 F C 1.861 177.681 175.800 0.033 0.000 1.090 131 F CA 4.283 62.254 58.000 -0.048 0.000 1.293 131 F CB 0.154 38.943 39.000 -0.351 0.000 1.013 131 F HN -0.391 8.168 8.300 0.433 0.000 0.486 132 V N -0.587 119.450 119.914 0.204 0.000 2.323 132 V HA -0.528 nan 4.120 nan 0.000 0.244 132 V C 1.776 177.920 176.094 0.082 0.000 1.041 132 V CA 4.392 66.799 62.300 0.179 0.000 1.025 132 V CB -0.517 31.374 31.823 0.113 0.000 0.656 132 V HN -0.012 8.206 8.190 0.172 0.075 0.451 133 E N -0.297 119.911 120.200 0.013 0.000 2.153 133 E HA -0.401 nan 4.350 nan 0.000 0.194 133 E C 2.087 178.639 176.600 -0.080 0.000 0.988 133 E CA 2.921 59.299 56.400 -0.037 0.000 0.811 133 E CB -0.223 29.439 29.700 -0.063 0.000 0.746 133 E HN 0.006 8.374 8.360 0.013 0.000 0.466 134 F N 1.394 121.169 119.950 -0.292 0.000 2.102 134 F HA -0.338 nan 4.527 nan 0.000 0.298 134 F C 0.833 176.529 175.800 -0.173 0.000 1.105 134 F CA 3.419 61.225 58.000 -0.323 0.000 1.239 134 F CB 0.113 38.834 39.000 -0.464 0.000 0.991 134 F HN -0.005 8.162 8.300 -0.079 0.085 0.474 135 L N -2.358 118.670 121.223 -0.325 0.000 2.191 135 L HA -0.523 nan 4.340 nan 0.000 0.212 135 L C 1.984 178.849 176.870 -0.008 0.000 1.103 135 L CA 2.872 57.578 54.840 -0.223 0.000 0.769 135 L CB -0.749 41.303 42.059 -0.011 0.000 0.908 135 L HN -0.347 7.814 8.230 -0.115 0.000 0.438 136 Q N -0.100 119.695 119.800 -0.009 0.000 2.020 136 Q HA -0.339 nan 4.340 nan 0.000 0.198 136 Q C 2.587 178.544 176.000 -0.071 0.000 0.974 136 Q CA 3.547 59.363 55.803 0.020 0.000 0.829 136 Q CB 0.054 28.801 28.738 0.015 0.000 0.894 136 Q HN -0.145 7.977 8.270 -0.029 0.131 0.433 137 S N 1.030 116.641 115.700 -0.148 0.000 2.356 137 S HA -0.327 nan 4.470 nan 0.000 0.223 137 S C 2.104 176.529 174.600 -0.291 0.000 1.032 137 S CA 3.041 61.136 58.200 -0.176 0.000 1.005 137 S CB -0.207 62.905 63.200 -0.147 0.000 0.867 137 S HN 0.022 8.244 8.310 -0.147 0.000 0.449 138 A N 0.006 122.504 122.820 -0.536 0.000 1.898 138 A HA -0.119 nan 4.320 nan 0.000 0.216 138 A C 0.656 177.666 177.584 -0.956 0.000 1.181 138 A CA 2.348 53.874 52.037 -0.852 0.000 0.620 138 A CB 0.196 18.323 19.000 -1.454 0.000 0.819 138 A HN 0.110 7.893 8.150 -0.612 0.000 0.442 139 F N -4.910 114.854 119.950 -0.309 0.000 2.706 139 F HA 0.057 nan 4.527 nan 0.000 0.313 139 F C 0.357 176.137 175.800 -0.034 0.000 1.096 139 F CA -0.807 57.102 58.000 -0.153 0.000 1.219 139 F CB 1.846 40.749 39.000 -0.162 0.000 1.051 139 F HN -0.779 7.379 8.300 -0.237 0.000 0.568 140 G N -1.079 107.760 108.800 0.067 0.000 2.168 140 G HA2 -0.426 nan 3.960 nan 0.000 0.257 140 G HA3 -0.426 nan 3.960 nan 0.000 0.257 140 G C -0.801 174.198 174.900 0.165 0.000 0.997 140 G CA 0.543 45.690 45.100 0.078 0.000 0.708 140 G HN -0.201 7.995 8.290 -0.036 0.072 0.520 141 Y N 0.960 121.305 120.300 0.075 0.000 2.402 141 Y HA -0.143 nan 4.550 nan 0.000 0.333 141 Y C -1.112 174.831 175.900 0.072 0.000 1.076 141 Y CA 0.229 58.386 58.100 0.096 0.000 1.299 141 Y CB 0.631 39.176 38.460 0.142 0.000 1.197 141 Y HN -0.573 7.857 8.280 0.316 0.039 0.517 142 S N 6.708 122.266 115.700 -0.237 0.000 2.528 142 S HA 0.312 nan 4.470 nan 0.000 0.277 142 S C 0.050 174.525 174.600 -0.208 0.000 1.297 142 S CA -3.487 54.603 58.200 -0.182 0.000 1.052 142 S CB 0.948 64.053 63.200 -0.158 0.000 0.917 142 S HN 0.307 8.416 8.310 -0.335 0.000 0.492 143 P HA 0.040 nan 4.420 nan 0.000 0.239 143 P C -0.078 177.232 177.300 0.017 0.000 1.184 143 P CA 1.086 64.204 63.100 0.030 0.000 0.760 143 P CB -0.306 31.431 31.700 0.061 0.000 0.884 144 S N -1.776 113.901 115.700 -0.039 0.000 2.527 144 S HA -0.231 nan 4.470 nan 0.000 0.222 144 S C 1.134 175.720 174.600 -0.022 0.000 0.985 144 S CA 2.165 60.358 58.200 -0.012 0.000 0.921 144 S CB -0.392 62.795 63.200 -0.020 0.000 0.772 144 S HN -0.324 7.869 8.310 -0.075 0.072 0.529 145 N N -0.319 118.317 118.700 -0.107 0.000 2.398 145 N HA 0.091 nan 4.740 nan 0.000 0.188 145 N C -1.480 174.090 175.510 0.100 0.000 1.122 145 N CA 1.060 54.058 53.050 -0.085 0.000 0.866 145 N CB 0.708 38.968 38.487 -0.377 0.000 0.970 145 N HN -0.389 7.715 8.380 -0.202 0.155 0.462 146 V N -0.534 119.475 119.914 0.159 0.000 2.465 146 V HA 0.227 nan 4.120 nan 0.000 0.279 146 V C -1.918 174.374 176.094 0.330 0.000 1.045 146 V CA -0.409 62.085 62.300 0.323 0.000 0.938 146 V CB 0.575 32.617 31.823 0.365 0.000 0.986 146 V HN -0.714 7.323 8.190 0.091 0.207 0.467 147 H N 7.353 126.577 119.070 0.256 0.000 2.744 147 H HA 0.591 nan 4.556 nan 0.000 0.339 147 H C -2.105 173.373 175.328 0.250 0.000 1.004 147 H CA -1.930 54.234 56.048 0.194 0.000 1.257 147 H CB 3.401 33.252 29.762 0.148 0.000 1.552 147 H HN 0.651 9.210 8.280 0.466 0.000 0.522 148 V N 7.984 127.985 119.914 0.145 0.000 2.417 148 V HA 0.529 nan 4.120 nan 0.000 0.291 148 V C -1.460 174.516 176.094 -0.196 0.000 1.024 148 V CA -0.857 61.450 62.300 0.013 0.000 0.861 148 V CB 1.804 33.636 31.823 0.014 0.000 0.985 148 V HN 0.662 9.023 8.190 0.285 0.000 0.436 149 I N 6.370 126.785 120.570 -0.259 0.000 2.404 149 I HA 0.682 nan 4.170 nan 0.000 0.293 149 I C -1.414 174.628 176.117 -0.127 0.000 0.992 149 I CA -1.356 59.772 61.300 -0.288 0.000 1.149 149 I CB 2.568 40.318 38.000 -0.417 0.000 1.315 149 I HN 0.994 8.998 8.210 -0.160 0.110 0.446 150 G N 5.099 113.838 108.800 -0.102 0.000 2.707 150 G HA2 0.548 nan 3.960 nan 0.000 0.299 150 G HA3 0.548 nan 3.960 nan 0.000 0.299 150 G C -2.921 171.988 174.900 0.015 0.000 1.442 150 G CA -0.520 44.562 45.100 -0.031 0.000 1.009 150 G HN 0.675 8.881 8.290 -0.140 0.000 0.515 151 H N 5.659 124.757 119.070 0.046 0.000 2.488 151 H HA 0.463 nan 4.556 nan 0.000 0.322 151 H C -0.045 175.327 175.328 0.074 0.000 1.078 151 H CA -0.759 55.303 56.048 0.022 0.000 1.260 151 H CB 2.339 32.153 29.762 0.087 0.000 1.425 151 H HN 0.215 8.676 8.280 0.300 0.000 0.471 152 S N 7.853 123.274 115.700 -0.465 0.000 4.139 152 S HA -0.422 nan 4.470 nan 0.000 0.603 152 S C 1.930 176.464 174.600 -0.110 0.000 1.897 152 S CA 2.633 60.699 58.200 -0.224 0.000 4.241 152 S CB -0.824 62.312 63.200 -0.107 0.000 0.221 152 S HN 0.794 8.829 8.310 -0.458 0.000 0.488 153 L N 4.934 126.211 121.223 0.090 0.000 2.127 153 L HA -0.177 nan 4.340 nan 0.000 0.211 153 L C 1.490 178.355 176.870 -0.008 0.000 1.089 153 L CA 2.420 57.336 54.840 0.126 0.000 0.757 153 L CB -0.196 42.086 42.059 0.370 0.000 0.899 153 L HN 0.420 8.763 8.230 0.189 0.000 0.434 154 G N -3.297 105.537 108.800 0.057 0.000 2.470 154 G HA2 -0.328 nan 3.960 nan 0.000 0.220 154 G HA3 -0.328 nan 3.960 nan 0.000 0.220 154 G C 0.322 175.133 174.900 -0.148 0.000 1.121 154 G CA 1.806 46.889 45.100 -0.030 0.000 0.766 154 G HN -0.129 8.246 8.290 0.165 0.014 0.553 155 A N 1.084 123.749 122.820 -0.258 0.000 1.968 155 A HA -0.120 nan 4.320 nan 0.000 0.217 155 A C 1.751 179.069 177.584 -0.443 0.000 1.169 155 A CA 2.528 54.337 52.037 -0.380 0.000 0.638 155 A CB -0.425 18.257 19.000 -0.531 0.000 0.812 155 A HN -0.082 7.743 8.150 -0.258 0.170 0.446 156 H N -2.224 116.674 119.070 -0.287 0.000 2.497 156 H HA -0.037 nan 4.556 nan 0.000 0.282 156 H C 2.100 177.310 175.328 -0.198 0.000 1.003 156 H CA 1.912 57.764 56.048 -0.327 0.000 1.307 156 H CB 0.185 29.515 29.762 -0.719 0.000 1.437 156 H HN -0.398 7.454 8.280 -0.505 0.125 0.544 157 A N -0.584 122.160 122.820 -0.128 0.000 1.930 157 A HA -0.238 nan 4.320 nan 0.000 0.217 157 A C 1.586 179.094 177.584 -0.126 0.000 1.175 157 A CA 3.037 54.972 52.037 -0.169 0.000 0.627 157 A CB -0.925 17.875 19.000 -0.333 0.000 0.815 157 A HN -0.035 7.926 8.150 -0.169 0.087 0.443 158 A N -2.623 120.118 122.820 -0.131 0.000 1.972 158 A HA -0.229 nan 4.320 nan 0.000 0.219 158 A C 2.222 179.770 177.584 -0.061 0.000 1.169 158 A CA 2.912 54.887 52.037 -0.103 0.000 0.635 158 A CB -0.605 18.329 19.000 -0.109 0.000 0.810 158 A HN 0.096 8.152 8.150 -0.156 0.000 0.446 159 G N -3.200 105.570 108.800 -0.049 0.000 2.464 159 G HA2 -0.260 nan 3.960 nan 0.000 0.217 159 G HA3 -0.260 nan 3.960 nan 0.000 0.217 159 G C 1.282 176.204 174.900 0.038 0.000 1.138 159 G CA 1.414 46.511 45.100 -0.004 0.000 0.793 159 G HN -0.428 7.703 8.290 -0.076 0.114 0.539 160 E N 2.581 122.810 120.200 0.048 0.000 2.112 160 E HA -0.191 nan 4.350 nan 0.000 0.190 160 E C 1.681 178.321 176.600 0.067 0.000 0.979 160 E CA 1.905 58.364 56.400 0.099 0.000 0.814 160 E CB -0.592 29.176 29.700 0.113 0.000 0.762 160 E HN -0.234 8.007 8.360 0.018 0.130 0.460 161 A N -2.397 120.432 122.820 0.015 0.000 2.067 161 A HA -0.060 nan 4.320 nan 0.000 0.219 161 A C 2.224 179.816 177.584 0.015 0.000 1.158 161 A CA 2.568 54.606 52.037 0.001 0.000 0.661 161 A CB -0.698 18.266 19.000 -0.061 0.000 0.801 161 A HN 0.155 8.297 8.150 -0.013 0.000 0.452 162 G N -2.990 105.822 108.800 0.019 0.000 2.492 162 G HA2 -0.154 nan 3.960 nan 0.000 0.214 162 G HA3 -0.154 nan 3.960 nan 0.000 0.214 162 G C 0.708 175.634 174.900 0.044 0.000 1.147 162 G CA 0.836 45.953 45.100 0.030 0.000 0.809 162 G HN -0.463 7.694 8.290 0.014 0.141 0.533 163 R N 2.243 122.777 120.500 0.057 0.000 2.070 163 R HA -0.327 nan 4.340 nan 0.000 0.233 163 R C 2.548 178.888 176.300 0.067 0.000 1.137 163 R CA 3.477 59.619 56.100 0.069 0.000 0.945 163 R CB -0.086 30.276 30.300 0.104 0.000 0.845 163 R HN -0.481 7.734 8.270 0.058 0.091 0.430 164 R N -3.038 117.504 120.500 0.071 0.000 2.241 164 R HA -0.167 nan 4.340 nan 0.000 0.224 164 R C 1.006 177.336 176.300 0.051 0.000 1.101 164 R CA 2.496 58.633 56.100 0.062 0.000 0.995 164 R CB -0.295 30.048 30.300 0.071 0.000 0.870 164 R HN -0.372 7.945 8.270 0.078 0.000 0.463 165 T N -8.065 106.518 114.554 0.047 0.000 3.176 165 T HA 0.245 nan 4.350 nan 0.000 0.263 165 T C -0.406 174.318 174.700 0.041 0.000 1.021 165 T CA -2.114 60.011 62.100 0.041 0.000 0.905 165 T CB -0.593 68.300 68.868 0.042 0.000 1.057 165 T HN -0.410 7.709 8.240 0.048 0.150 0.558 166 N N 0.659 119.385 118.700 0.043 0.000 2.725 166 N HA -0.502 nan 4.740 nan 0.000 0.251 166 N C 0.370 175.907 175.510 0.045 0.000 1.031 166 N CA 1.415 54.489 53.050 0.041 0.000 0.720 166 N CB -1.409 37.099 38.487 0.035 0.000 0.930 166 N HN 0.390 8.597 8.380 0.046 0.200 0.543 167 G N -5.740 103.090 108.800 0.050 0.000 2.233 167 G HA2 -0.422 nan 3.960 nan 0.000 0.270 167 G HA3 -0.422 nan 3.960 nan 0.000 0.270 167 G C 0.348 175.286 174.900 0.063 0.000 1.011 167 G CA 1.105 46.241 45.100 0.059 0.000 0.762 167 G HN 0.422 8.741 8.290 0.048 0.000 0.511 168 T N -3.898 110.689 114.554 0.054 0.000 3.067 168 T HA 0.064 nan 4.350 nan 0.000 0.257 168 T C 0.967 175.702 174.700 0.058 0.000 1.105 168 T CA -0.150 61.980 62.100 0.050 0.000 1.104 168 T CB 0.194 69.084 68.868 0.037 0.000 0.925 168 T HN -0.510 7.723 8.240 0.050 0.036 0.498 169 I N 3.522 124.134 120.570 0.069 0.000 2.752 169 I HA -0.272 nan 4.170 nan 0.000 0.287 169 I C 1.120 177.300 176.117 0.104 0.000 1.188 169 I CA 0.872 62.225 61.300 0.089 0.000 1.427 169 I CB 0.394 38.448 38.000 0.089 0.000 1.365 169 I HN -0.777 7.471 8.210 0.064 0.000 0.585 170 G N 5.949 114.816 108.800 0.112 0.000 2.545 170 G HA2 -0.243 nan 3.960 nan 0.000 0.217 170 G HA3 -0.243 nan 3.960 nan 0.000 0.217 170 G C -1.460 173.533 174.900 0.154 0.000 1.218 170 G CA 1.592 46.761 45.100 0.115 0.000 0.787 170 G HN 0.586 8.945 8.290 0.114 0.000 0.571 171 R N -3.946 116.648 120.500 0.157 0.000 2.692 171 R HA 0.559 nan 4.340 nan 0.000 0.269 171 R C -2.441 173.990 176.300 0.218 0.000 1.030 171 R CA -1.059 55.117 56.100 0.126 0.000 0.882 171 R CB 2.846 33.172 30.300 0.043 0.000 1.250 171 R HN -0.683 7.700 8.270 0.189 0.000 0.465 172 I N -0.468 120.143 120.570 0.068 0.000 2.608 172 I HA 0.572 nan 4.170 nan 0.000 0.295 172 I C -2.007 174.101 176.117 -0.015 0.000 1.049 172 I CA -1.463 59.871 61.300 0.056 0.000 1.063 172 I CB 4.441 42.422 38.000 -0.031 0.000 1.248 172 I HN 0.076 8.243 8.210 -0.072 0.000 0.424 173 T N 7.747 122.302 114.554 0.003 0.000 2.864 173 T HA 0.520 nan 4.350 nan 0.000 0.299 173 T C -1.179 173.443 174.700 -0.130 0.000 1.011 173 T CA -0.750 61.326 62.100 -0.040 0.000 0.975 173 T CB 1.372 70.266 68.868 0.042 0.000 0.962 173 T HN 0.435 8.660 8.240 -0.025 0.000 0.448 174 G N 4.717 113.419 108.800 -0.164 0.000 2.327 174 G HA2 0.671 nan 3.960 nan 0.000 0.302 174 G HA3 0.671 nan 3.960 nan 0.000 0.302 174 G C -2.381 172.393 174.900 -0.210 0.000 1.113 174 G CA -1.134 43.836 45.100 -0.217 0.000 0.921 174 G HN 0.162 8.356 8.290 -0.159 0.000 0.425 175 L N 5.870 126.992 121.223 -0.170 0.000 2.270 175 L HA 0.135 nan 4.340 nan 0.000 0.286 175 L C -0.867 175.921 176.870 -0.136 0.000 1.059 175 L CA -0.968 53.797 54.840 -0.125 0.000 0.839 175 L CB 0.038 42.067 42.059 -0.050 0.000 1.221 175 L HN 0.705 8.845 8.230 -0.150 0.000 0.431 176 D N 3.782 124.065 120.400 -0.194 0.000 2.904 176 D HA -0.307 nan 4.640 nan 0.000 0.231 176 D C -2.198 174.032 176.300 -0.116 0.000 1.185 176 D CA 0.613 54.528 54.000 -0.143 0.000 0.783 176 D CB -0.572 40.202 40.800 -0.044 0.000 0.961 176 D HN -0.019 8.213 8.370 -0.229 0.000 0.409 177 P HA -0.135 nan 4.420 nan 0.000 0.262 177 P C -1.501 175.790 177.300 -0.014 0.000 1.182 177 P CA 0.401 63.334 63.100 -0.279 0.000 0.761 177 P CB 0.485 31.990 31.700 -0.326 0.000 0.795 178 A N 4.046 126.897 122.820 0.053 0.000 2.520 178 A HA -0.114 nan 4.320 nan 0.000 0.235 178 A C 0.814 178.606 177.584 0.347 0.000 1.065 178 A CA 0.385 52.556 52.037 0.224 0.000 0.764 178 A CB 0.616 19.808 19.000 0.320 0.000 1.002 178 A HN -0.172 7.810 8.150 -0.105 0.105 0.502 179 E N 3.231 123.594 120.200 0.271 0.000 2.045 179 E HA 0.157 nan 4.350 nan 0.000 0.190 179 E C -1.893 174.863 176.600 0.261 0.000 0.968 179 E CA 1.880 58.431 56.400 0.250 0.000 0.813 179 E CB -0.469 29.325 29.700 0.156 0.000 0.780 179 E HN 0.239 8.721 8.360 0.204 0.000 0.455 180 P HA -0.124 nan 4.420 nan 0.000 0.262 180 P C -0.512 176.879 177.300 0.153 0.000 1.182 180 P CA 1.401 64.590 63.100 0.148 0.000 0.761 180 P CB -0.265 31.478 31.700 0.073 0.000 0.795 181 C N -1.412 117.847 119.300 -0.069 0.000 4.593 181 C HA -0.246 nan 4.460 nan 0.000 0.263 181 C C 0.416 174.900 174.990 -0.844 0.000 1.378 181 C CA 1.591 60.359 59.018 -0.418 0.000 1.666 181 C CB -2.295 25.134 27.740 -0.519 0.000 1.603 181 C HN 0.815 9.023 8.230 -0.037 0.000 0.704 182 F N -3.304 116.600 119.950 -0.077 0.000 2.675 182 F HA 0.120 nan 4.527 nan 0.000 0.315 182 F C -0.334 175.415 175.800 -0.086 0.000 0.888 182 F CA 0.427 58.320 58.000 -0.178 0.000 1.100 182 F CB 1.800 40.535 39.000 -0.443 0.000 0.908 182 F HN -0.045 8.202 8.300 0.021 0.065 0.657 183 Q N 0.870 120.761 119.800 0.152 0.000 2.311 183 Q HA -0.261 nan 4.340 nan 0.000 0.272 183 Q C 1.099 177.130 176.000 0.052 0.000 1.012 183 Q CA 1.921 57.793 55.803 0.115 0.000 0.891 183 Q CB 0.304 29.114 28.738 0.120 0.000 1.201 183 Q HN -0.207 8.165 8.270 0.170 0.000 0.391 184 G N 5.353 114.180 108.800 0.045 0.000 2.205 184 G HA2 -0.348 nan 3.960 nan 0.000 0.261 184 G HA3 -0.348 nan 3.960 nan 0.000 0.261 184 G C -0.316 174.576 174.900 -0.013 0.000 0.980 184 G CA 0.099 45.209 45.100 0.015 0.000 0.632 184 G HN 0.438 9.127 8.290 0.065 -0.360 0.533 185 T N 0.373 114.911 114.554 -0.026 0.000 2.770 185 T HA 0.340 nan 4.350 nan 0.000 0.281 185 T C -2.366 172.294 174.700 -0.066 0.000 0.981 185 T CA -2.296 59.762 62.100 -0.070 0.000 0.955 185 T CB -0.482 68.316 68.868 -0.116 0.000 1.060 185 T HN -0.448 7.711 8.240 -0.006 0.078 0.531 186 P HA 0.198 nan 4.420 nan 0.000 0.274 186 P C 0.649 177.888 177.300 -0.102 0.000 1.237 186 P CA -0.416 62.621 63.100 -0.106 0.000 0.793 186 P CB 0.739 32.350 31.700 -0.149 0.000 0.977 187 E N 1.400 121.559 120.200 -0.069 0.000 2.267 187 E HA -0.331 nan 4.350 nan 0.000 0.197 187 E C 2.505 179.063 176.600 -0.070 0.000 0.998 187 E CA 3.273 59.646 56.400 -0.045 0.000 0.830 187 E CB -0.532 29.154 29.700 -0.023 0.000 0.751 187 E HN 0.447 8.772 8.360 -0.058 0.000 0.491 188 L N -0.874 120.261 121.223 -0.147 0.000 2.079 188 L HA -0.229 nan 4.340 nan 0.000 0.210 188 L C 0.648 177.337 176.870 -0.301 0.000 1.081 188 L CA 2.882 57.592 54.840 -0.216 0.000 0.752 188 L CB -0.009 41.830 42.059 -0.365 0.000 0.896 188 L HN -0.392 7.695 8.230 -0.160 0.047 0.433 189 V N -6.285 113.412 119.914 -0.361 0.000 3.541 189 V HA -0.104 nan 4.120 nan 0.000 0.267 189 V C -0.182 175.967 176.094 0.091 0.000 1.213 189 V CA -0.043 62.104 62.300 -0.255 0.000 1.149 189 V CB -0.950 30.652 31.823 -0.369 0.000 0.822 189 V HN -0.508 7.472 8.190 -0.320 0.019 0.462 190 R N -4.085 116.451 120.500 0.060 0.000 2.810 190 R HA 0.229 nan 4.340 nan 0.000 0.266 190 R C -1.777 174.602 176.300 0.131 0.000 1.061 190 R CA -2.384 53.770 56.100 0.091 0.000 0.943 190 R CB 1.937 32.270 30.300 0.055 0.000 1.237 190 R HN -0.711 7.385 8.270 -0.003 0.172 0.459 191 L N 1.202 122.571 121.223 0.243 0.000 2.456 191 L HA 0.088 nan 4.340 nan 0.000 0.272 191 L C -1.304 175.591 176.870 0.041 0.000 1.189 191 L CA 0.900 55.787 54.840 0.077 0.000 0.846 191 L CB 0.689 42.732 42.059 -0.026 0.000 1.111 191 L HN 0.025 8.594 8.230 0.565 0.000 0.475 192 D N 1.606 121.999 120.400 -0.013 0.000 2.648 192 D HA 0.170 nan 4.640 nan 0.000 0.244 192 D C -2.038 174.205 176.300 -0.094 0.000 1.244 192 D CA -1.761 52.219 54.000 -0.033 0.000 0.772 192 D CB 0.395 41.189 40.800 -0.009 0.000 1.379 192 D HN -0.334 8.140 8.370 -0.030 -0.121 0.428 193 P HA -0.224 nan 4.420 nan 0.000 0.217 193 P C 0.802 178.005 177.300 -0.161 0.000 1.148 193 P CA 2.523 65.414 63.100 -0.348 0.000 0.834 193 P CB 0.161 31.643 31.700 -0.364 0.000 0.783 194 S N -2.807 112.868 115.700 -0.041 0.000 2.515 194 S HA -0.223 nan 4.470 nan 0.000 0.231 194 S C 1.060 175.678 174.600 0.030 0.000 0.987 194 S CA 2.458 60.672 58.200 0.024 0.000 0.936 194 S CB -0.373 62.844 63.200 0.029 0.000 0.766 194 S HN -0.268 8.226 8.310 -0.041 -0.209 0.528 195 D N 0.803 121.208 120.400 0.007 0.000 2.312 195 D HA -0.077 nan 4.640 nan 0.000 0.211 195 D C -1.104 175.218 176.300 0.036 0.000 0.964 195 D CA 1.598 55.610 54.000 0.020 0.000 0.877 195 D CB 0.257 41.060 40.800 0.005 0.000 0.924 195 D HN -0.335 7.965 8.370 -0.023 0.056 0.515 196 A N -4.083 118.766 122.820 0.049 0.000 2.566 196 A HA 0.286 nan 4.320 nan 0.000 0.292 196 A C -1.110 176.571 177.584 0.163 0.000 1.112 196 A CA -1.072 51.017 52.037 0.087 0.000 0.707 196 A CB 2.533 21.572 19.000 0.066 0.000 1.302 196 A HN -0.895 7.241 8.150 0.038 0.037 0.409 197 K N -2.153 118.351 120.400 0.173 0.000 2.211 197 K HA -0.215 nan 4.320 nan 0.000 0.204 197 K C -0.300 176.516 176.600 0.359 0.000 1.047 197 K CA 2.299 58.708 56.287 0.202 0.000 0.935 197 K CB 0.796 33.381 32.500 0.142 0.000 0.728 197 K HN 0.442 8.777 8.250 0.141 0.000 0.452 198 F N -5.001 115.075 119.950 0.210 0.000 2.622 198 F HA 0.108 nan 4.527 nan 0.000 0.318 198 F C -3.064 172.898 175.800 0.271 0.000 1.135 198 F CA -1.633 56.559 58.000 0.320 0.000 1.015 198 F CB 2.856 41.922 39.000 0.109 0.000 1.275 198 F HN -0.944 7.506 8.300 0.307 0.034 0.457 199 V N 7.451 127.247 119.914 -0.196 0.000 2.443 199 V HA 0.556 nan 4.120 nan 0.000 0.293 199 V C -2.220 173.554 176.094 -0.534 0.000 1.021 199 V CA -1.477 60.557 62.300 -0.442 0.000 0.848 199 V CB 2.478 34.113 31.823 -0.314 0.000 0.998 199 V HN 0.478 8.941 8.190 0.456 0.000 0.424 200 D N 6.191 126.251 120.400 -0.567 0.000 2.362 200 D HA 0.702 nan 4.640 nan 0.000 0.247 200 D C -1.472 174.781 176.300 -0.078 0.000 1.050 200 D CA -2.160 51.707 54.000 -0.221 0.000 0.839 200 D CB 2.451 43.184 40.800 -0.112 0.000 1.283 200 D HN 0.123 8.167 8.370 -0.544 0.000 0.477 201 V N -0.036 119.884 119.914 0.010 0.000 2.588 201 V HA 0.688 nan 4.120 nan 0.000 0.304 201 V C -1.262 174.802 176.094 -0.051 0.000 1.042 201 V CA -1.275 60.967 62.300 -0.097 0.000 0.877 201 V CB 2.945 34.624 31.823 -0.239 0.000 0.996 201 V HN 0.940 9.184 8.190 0.091 0.000 0.425 202 I N 4.602 125.091 120.570 -0.135 0.000 2.307 202 I HA 0.401 nan 4.170 nan 0.000 0.289 202 I C -1.124 174.866 176.117 -0.211 0.000 1.021 202 I CA -0.808 60.436 61.300 -0.093 0.000 1.224 202 I CB 0.692 38.653 38.000 -0.065 0.000 1.376 202 I HN 0.243 8.351 8.210 -0.169 0.000 0.470 203 H N 9.925 128.869 119.070 -0.209 0.000 2.705 203 H HA 0.121 nan 4.556 nan 0.000 0.291 203 H C -0.248 175.074 175.328 -0.009 0.000 1.085 203 H CA 0.800 56.755 56.048 -0.155 0.000 1.357 203 H CB 0.217 29.770 29.762 -0.348 0.000 1.419 203 H HN 0.713 8.953 8.280 -0.066 0.000 0.462 204 T N -0.887 113.725 114.554 0.096 0.000 3.016 204 T HA 0.198 nan 4.350 nan 0.000 0.271 204 T C -0.428 174.317 174.700 0.074 0.000 0.968 204 T CA -0.994 61.151 62.100 0.075 0.000 0.891 204 T CB 1.356 70.188 68.868 -0.060 0.000 1.149 204 T HN 0.051 8.597 8.240 0.056 -0.272 0.524 205 D N 1.081 121.548 120.400 0.112 0.000 3.100 205 D HA 0.187 nan 4.640 nan 0.000 0.350 205 D C 0.444 176.798 176.300 0.089 0.000 1.310 205 D CA -0.094 53.955 54.000 0.082 0.000 0.741 205 D CB 0.732 41.599 40.800 0.113 0.000 1.248 205 D HN -0.734 7.917 8.370 0.143 -0.196 0.527 206 G N -1.195 107.681 108.800 0.127 0.000 2.956 206 G HA2 -0.020 nan 3.960 nan 0.000 0.207 206 G HA3 -0.020 nan 3.960 nan 0.000 0.207 206 G C -1.412 173.529 174.900 0.069 0.000 1.162 206 G CA -0.332 44.852 45.100 0.140 0.000 0.796 206 G HN 0.102 8.476 8.290 0.141 0.000 0.527 207 A N 0.363 123.192 122.820 0.015 0.000 2.407 207 A HA 0.199 nan 4.320 nan 0.000 0.248 207 A C -2.161 175.407 177.584 -0.026 0.000 1.082 207 A CA -2.117 49.911 52.037 -0.015 0.000 0.785 207 A CB -0.552 18.418 19.000 -0.051 0.000 1.020 207 A HN -0.456 7.625 8.150 -0.000 0.069 0.489 208 P HA -0.191 nan 4.420 nan 0.000 0.264 208 P C -0.017 177.255 177.300 -0.047 0.000 1.179 208 P CA 0.208 63.298 63.100 -0.017 0.000 0.763 208 P CB 0.296 31.988 31.700 -0.014 0.000 0.806 209 I N 4.823 125.373 120.570 -0.033 0.000 2.286 209 I HA -0.323 nan 4.170 nan 0.000 0.248 209 I C -0.934 175.148 176.117 -0.059 0.000 1.115 209 I CA 2.070 63.338 61.300 -0.054 0.000 1.392 209 I CB 0.798 38.788 38.000 -0.016 0.000 1.065 209 I HN -0.143 8.321 8.210 -0.007 -0.258 0.418 210 V N -7.961 111.930 119.914 -0.038 0.000 2.531 210 V HA 0.397 nan 4.120 nan 0.000 0.301 210 V C -1.625 174.452 176.094 -0.028 0.000 1.034 210 V CA -2.416 59.864 62.300 -0.033 0.000 0.865 210 V CB 0.389 32.200 31.823 -0.021 0.000 0.995 210 V HN -0.316 7.850 8.190 -0.026 0.009 0.424 211 P HA 0.180 nan 4.420 nan 0.000 0.245 211 P C -0.557 176.706 177.300 -0.061 0.000 1.203 211 P CA 0.462 63.539 63.100 -0.039 0.000 0.792 211 P CB 0.562 32.245 31.700 -0.028 0.000 0.997 212 N N -1.425 117.233 118.700 -0.069 0.000 2.364 212 N HA -0.195 nan 4.740 nan 0.000 0.183 212 N C -0.172 175.238 175.510 -0.167 0.000 1.022 212 N CA 0.669 53.660 53.050 -0.099 0.000 0.883 212 N CB -0.071 38.366 38.487 -0.083 0.000 0.965 212 N HN -0.130 8.164 8.380 -0.056 0.053 0.438 213 L N -3.814 117.299 121.223 -0.183 0.000 3.898 213 L HA -0.276 nan 4.340 nan 0.000 0.407 213 L C -0.543 175.990 176.870 -0.563 0.000 1.207 213 L CA 0.321 54.971 54.840 -0.318 0.000 0.931 213 L CB -2.800 39.069 42.059 -0.317 0.000 2.014 213 L HN -0.209 7.788 8.230 -0.129 0.156 0.858 214 G N -2.671 105.924 108.800 -0.342 0.000 2.365 214 G HA2 0.028 nan 3.960 nan 0.000 0.293 214 G HA3 0.028 nan 3.960 nan 0.000 0.293 214 G C 0.121 174.885 174.900 -0.228 0.000 1.128 214 G CA -0.360 44.550 45.100 -0.316 0.000 0.971 214 G HN -0.378 7.658 8.290 -0.210 0.128 0.422 215 F N 5.429 125.298 119.950 -0.134 0.000 2.293 215 F HA -0.181 nan 4.527 nan 0.000 0.300 215 F C 0.489 176.212 175.800 -0.129 0.000 1.086 215 F CA -0.184 57.674 58.000 -0.236 0.000 1.375 215 F CB 0.246 38.902 39.000 -0.573 0.000 1.045 215 F HN 0.460 8.527 8.300 -0.733 -0.206 0.516 216 G N -3.647 105.244 108.800 0.153 0.000 2.491 216 G HA2 0.574 nan 3.960 nan 0.000 0.327 216 G HA3 0.574 nan 3.960 nan 0.000 0.327 216 G C -1.500 173.502 174.900 0.171 0.000 1.189 216 G CA -1.258 43.947 45.100 0.175 0.000 0.956 216 G HN -0.561 7.869 8.290 0.113 -0.073 0.491 217 M N -2.725 116.994 119.600 0.198 0.000 2.288 217 M HA 0.420 nan 4.480 nan 0.000 0.334 217 M C 0.555 177.067 176.300 0.352 0.000 1.150 217 M CA -0.321 55.123 55.300 0.241 0.000 1.118 217 M CB 1.818 34.559 32.600 0.235 0.000 1.501 217 M HN -0.279 8.107 8.290 0.161 0.000 0.462 218 S N 0.435 116.283 115.700 0.247 0.000 2.492 218 S HA -0.078 nan 4.470 nan 0.000 0.218 218 S C 0.730 175.436 174.600 0.176 0.000 1.016 218 S CA 1.158 59.483 58.200 0.207 0.000 0.916 218 S CB 0.610 63.878 63.200 0.114 0.000 0.791 218 S HN 0.527 9.200 8.310 0.188 -0.251 0.513 219 Q N 3.293 123.208 119.800 0.192 0.000 2.330 219 Q HA -0.100 nan 4.340 nan 0.000 0.279 219 Q C 0.149 176.293 176.000 0.240 0.000 1.024 219 Q CA 0.270 56.175 55.803 0.169 0.000 0.900 219 Q CB 1.490 30.315 28.738 0.146 0.000 1.221 219 Q HN -0.469 8.309 8.270 0.191 -0.393 0.396 220 V N 6.530 126.556 119.914 0.185 0.000 2.470 220 V HA -0.043 nan 4.120 nan 0.000 0.276 220 V C -0.358 175.833 176.094 0.162 0.000 1.040 220 V CA 0.588 63.014 62.300 0.210 0.000 1.008 220 V CB 0.322 32.245 31.823 0.167 0.000 0.990 220 V HN -0.009 8.264 8.190 0.137 0.000 0.477 221 V N 0.957 120.965 119.914 0.158 0.000 3.346 221 V HA 0.599 nan 4.120 nan 0.000 0.309 221 V C -0.843 175.240 176.094 -0.019 0.000 1.457 221 V CA -1.502 60.836 62.300 0.063 0.000 1.069 221 V CB 0.224 32.080 31.823 0.056 0.000 0.944 221 V HN 0.517 9.138 8.190 0.228 -0.294 0.449 222 G N 0.372 109.161 108.800 -0.018 0.000 3.166 222 G HA2 0.581 nan 3.960 nan 0.000 0.267 222 G HA3 0.581 nan 3.960 nan 0.000 0.267 222 G C -1.320 173.537 174.900 -0.072 0.000 1.256 222 G CA 0.011 45.036 45.100 -0.125 0.000 0.859 222 G HN -0.691 8.018 8.290 0.049 -0.390 0.590 223 H N 0.500 119.623 119.070 0.089 0.000 2.344 223 H HA 0.120 nan 4.556 nan 0.000 0.307 223 H C 0.200 175.656 175.328 0.214 0.000 1.057 223 H CA 2.734 58.892 56.048 0.184 0.000 1.373 223 H CB 1.986 31.941 29.762 0.321 0.000 1.421 223 H HN 0.471 8.580 8.280 -0.101 0.111 0.532 224 L N -2.389 119.027 121.223 0.322 0.000 2.325 224 L HA 0.248 nan 4.340 nan 0.000 0.281 224 L C -2.157 174.735 176.870 0.038 0.000 1.004 224 L CA -1.245 53.708 54.840 0.189 0.000 0.823 224 L CB 1.445 43.570 42.059 0.110 0.000 1.236 224 L HN -0.810 7.589 8.230 0.281 0.000 0.415 225 D N 4.008 124.399 120.400 -0.016 0.000 2.425 225 D HA 0.546 nan 4.640 nan 0.000 0.240 225 D C -1.341 174.763 176.300 -0.326 0.000 1.080 225 D CA -0.084 53.869 54.000 -0.078 0.000 0.836 225 D CB 2.027 42.839 40.800 0.021 0.000 1.125 225 D HN 0.699 9.113 8.370 0.074 0.000 0.525 226 F N 2.715 122.540 119.950 -0.208 0.000 2.404 226 F HA 0.646 nan 4.527 nan 0.000 0.339 226 F C -0.667 174.860 175.800 -0.455 0.000 1.105 226 F CA -0.641 57.239 58.000 -0.201 0.000 1.087 226 F CB 2.351 41.287 39.000 -0.106 0.000 1.143 226 F HN 0.886 9.267 8.300 0.135 0.000 0.491 227 F N 0.760 120.731 119.950 0.036 0.000 2.550 227 F HA 0.486 nan 4.527 nan 0.000 0.348 227 F C -2.021 173.823 175.800 0.075 0.000 1.219 227 F CA -2.916 55.113 58.000 0.048 0.000 1.203 227 F CB 0.100 39.097 39.000 -0.004 0.000 1.436 227 F HN 0.651 9.043 8.300 0.154 0.000 0.541 228 P HA -0.046 nan 4.420 nan 0.000 0.268 228 P C -0.069 177.284 177.300 0.087 0.000 1.205 228 P CA 0.381 63.558 63.100 0.128 0.000 0.771 228 P CB 0.181 31.881 31.700 0.000 0.000 0.858 229 N N 1.477 120.227 118.700 0.084 0.000 2.678 229 N HA -0.552 nan 4.740 nan 0.000 0.250 229 N C 0.006 175.220 175.510 -0.493 0.000 1.136 229 N CA 1.857 54.916 53.050 0.015 0.000 0.757 229 N CB -1.597 36.955 38.487 0.108 0.000 1.135 229 N HN 1.046 9.424 8.380 0.181 0.110 0.565 230 G N -4.256 104.004 108.800 -0.899 0.000 2.234 230 G HA2 -0.336 nan 3.960 nan 0.000 0.235 230 G HA3 -0.336 nan 3.960 nan 0.000 0.235 230 G C -0.070 174.738 174.900 -0.153 0.000 0.997 230 G CA 0.132 44.595 45.100 -1.062 0.000 0.623 230 G HN 0.007 7.979 8.290 -0.444 0.052 0.514 231 G N -1.493 107.327 108.800 0.033 0.000 2.153 231 G HA2 -0.389 nan 3.960 nan 0.000 0.252 231 G HA3 -0.389 nan 3.960 nan 0.000 0.252 231 G C -0.584 174.401 174.900 0.141 0.000 0.994 231 G CA 0.897 46.122 45.100 0.208 0.000 0.698 231 G HN 0.334 8.426 8.290 -0.025 0.182 0.521 232 V N -2.853 117.094 119.914 0.055 0.000 3.058 232 V HA 0.143 nan 4.120 nan 0.000 0.233 232 V C -0.319 175.788 176.094 0.022 0.000 1.255 232 V CA 1.022 63.345 62.300 0.039 0.000 1.267 232 V CB 1.150 32.986 31.823 0.021 0.000 1.049 232 V HN -0.224 7.927 8.190 0.006 0.043 0.486 233 E N -1.079 119.136 120.200 0.026 0.000 2.241 233 E HA 0.172 nan 4.350 nan 0.000 0.263 233 E C -0.995 175.640 176.600 0.059 0.000 0.882 233 E CA -1.281 55.137 56.400 0.031 0.000 0.769 233 E CB 2.012 31.732 29.700 0.033 0.000 1.185 233 E HN -0.208 8.164 8.360 0.020 0.000 0.415 234 M N 5.802 125.440 119.600 0.063 0.000 2.188 234 M HA 0.402 nan 4.480 nan 0.000 0.357 234 M C -1.853 174.521 176.300 0.123 0.000 1.204 234 M CA -4.118 51.248 55.300 0.111 0.000 1.095 234 M CB -0.411 32.245 32.600 0.093 0.000 1.604 234 M HN 0.538 9.234 8.290 0.036 -0.385 0.464 235 P HA -0.205 nan 4.420 nan 0.000 0.265 235 P C 0.525 177.924 177.300 0.166 0.000 1.193 235 P CA 0.987 64.181 63.100 0.157 0.000 0.765 235 P CB 0.327 32.134 31.700 0.178 0.000 0.823 236 G N 2.363 111.239 108.800 0.127 0.000 2.175 236 G HA2 -0.342 nan 3.960 nan 0.000 0.244 236 G HA3 -0.342 nan 3.960 nan 0.000 0.244 236 G C 1.126 176.082 174.900 0.093 0.000 0.982 236 G CA 0.844 46.015 45.100 0.117 0.000 0.641 236 G HN 0.448 8.803 8.290 0.108 0.000 0.527 237 c N 0.516 119.162 118.600 0.077 0.000 2.519 237 c HA -0.096 nan 4.570 nan 0.000 0.281 237 c C 1.258 175.371 174.090 0.040 0.000 1.331 237 c CA 1.964 58.320 56.329 0.045 0.000 1.725 237 c CB -0.116 42.405 42.510 0.019 0.000 2.079 237 c HN -0.190 8.019 8.230 0.085 0.072 0.496 238 K N -0.133 120.292 120.400 0.042 0.000 3.225 238 K HA -0.107 nan 4.320 nan 0.000 0.282 238 K C -0.822 175.809 176.600 0.051 0.000 1.060 238 K CA 0.190 56.499 56.287 0.038 0.000 1.186 238 K CB -1.633 30.887 32.500 0.032 0.000 1.214 238 K HN 0.189 8.469 8.250 0.049 0.000 0.428 239 K N -0.671 119.765 120.400 0.061 0.000 2.120 239 K HA -0.069 nan 4.320 nan 0.000 0.245 239 K C -0.982 175.664 176.600 0.076 0.000 1.024 239 K CA -0.604 55.721 56.287 0.064 0.000 0.906 239 K CB 0.746 33.285 32.500 0.066 0.000 1.051 239 K HN -0.324 7.873 8.250 0.063 0.090 0.491 240 N N 0.549 119.289 118.700 0.067 0.000 2.444 240 N HA -0.072 nan 4.740 nan 0.000 0.255 240 N C 1.007 176.572 175.510 0.092 0.000 1.255 240 N CA -0.558 52.536 53.050 0.074 0.000 0.933 240 N CB 0.361 38.878 38.487 0.050 0.000 1.143 240 N HN 0.089 8.502 8.380 0.055 0.000 0.453 241 I N 0.675 121.310 120.570 0.108 0.000 2.143 241 I HA -0.453 nan 4.170 nan 0.000 0.245 241 I C 1.067 177.180 176.117 -0.007 0.000 1.068 241 I CA 3.043 64.394 61.300 0.085 0.000 1.326 241 I CB -0.275 37.743 38.000 0.030 0.000 1.028 241 I HN 0.356 8.630 8.210 0.107 0.000 0.412 242 L N -2.435 118.783 121.223 -0.008 0.000 2.141 242 L HA -0.348 nan 4.340 nan 0.000 0.209 242 L C 2.230 179.103 176.870 0.005 0.000 1.094 242 L CA 3.177 58.005 54.840 -0.019 0.000 0.763 242 L CB -0.704 41.348 42.059 -0.012 0.000 0.908 242 L HN -0.014 8.220 8.230 0.007 0.000 0.437 243 S N -1.275 114.441 115.700 0.027 0.000 2.395 243 S HA -0.266 nan 4.470 nan 0.000 0.225 243 S C 1.351 175.982 174.600 0.051 0.000 1.027 243 S CA 2.852 61.073 58.200 0.036 0.000 0.965 243 S CB -0.178 63.045 63.200 0.039 0.000 0.812 243 S HN -0.584 7.907 8.310 0.033 -0.161 0.482 244 Q N -0.667 119.179 119.800 0.077 0.000 2.050 244 Q HA -0.177 nan 4.340 nan 0.000 0.202 244 Q C 2.172 178.223 176.000 0.086 0.000 0.980 244 Q CA 2.423 58.289 55.803 0.105 0.000 0.840 244 Q CB 0.594 29.449 28.738 0.195 0.000 0.898 244 Q HN -0.557 7.763 8.270 0.084 0.000 0.424 245 I N -1.675 118.929 120.570 0.057 0.000 2.252 245 I HA -0.272 nan 4.170 nan 0.000 0.245 245 I C 1.766 177.903 176.117 0.032 0.000 1.102 245 I CA 3.326 64.642 61.300 0.027 0.000 1.385 245 I CB 0.638 38.603 38.000 -0.057 0.000 1.064 245 I HN -0.606 7.629 8.210 0.042 0.000 0.414 246 V N -1.306 118.624 119.914 0.025 0.000 2.584 246 V HA 0.015 nan 4.120 nan 0.000 0.319 246 V C -1.234 174.880 176.094 0.034 0.000 1.363 246 V CA -1.424 60.892 62.300 0.028 0.000 1.518 246 V CB -2.623 29.210 31.823 0.017 0.000 1.514 246 V HN -0.594 7.608 8.190 0.020 0.000 0.553 247 D N 1.663 122.089 120.400 0.043 0.000 2.340 247 D HA 0.222 nan 4.640 nan 0.000 0.251 247 D C 1.660 177.985 176.300 0.042 0.000 1.080 247 D CA -0.574 53.452 54.000 0.042 0.000 0.971 247 D CB 3.457 44.285 40.800 0.048 0.000 1.137 247 D HN -0.761 7.572 8.370 0.048 0.066 0.475 248 I N -4.035 116.557 120.570 0.036 0.000 2.707 248 I HA -0.341 nan 4.170 nan 0.000 0.266 248 I C 0.029 176.172 176.117 0.043 0.000 1.215 248 I CA 2.598 63.918 61.300 0.034 0.000 1.442 248 I CB -0.225 37.790 38.000 0.024 0.000 1.108 248 I HN 0.421 8.651 8.210 0.033 0.000 0.464 249 D N -1.151 119.282 120.400 0.054 0.000 2.363 249 D HA 0.152 nan 4.640 nan 0.000 0.214 249 D C -0.216 176.136 176.300 0.086 0.000 1.093 249 D CA 0.078 54.120 54.000 0.069 0.000 0.837 249 D CB 0.322 41.168 40.800 0.075 0.000 0.948 249 D HN -0.417 7.904 8.370 0.053 0.080 0.507 250 G N -0.988 107.859 108.800 0.080 0.000 2.662 250 G HA2 -0.317 nan 3.960 nan 0.000 0.686 250 G HA3 -0.317 nan 3.960 nan 0.000 0.686 250 G C -0.713 174.256 174.900 0.115 0.000 1.271 250 G CA -0.752 44.406 45.100 0.097 0.000 0.816 250 G HN -0.513 7.761 8.290 0.065 0.055 0.608 251 I N 0.935 121.581 120.570 0.127 0.000 2.099 251 I HA -0.384 nan 4.170 nan 0.000 0.239 251 I C 1.676 177.925 176.117 0.221 0.000 1.066 251 I CA 2.843 64.229 61.300 0.143 0.000 1.324 251 I CB -0.123 37.954 38.000 0.128 0.000 1.037 251 I HN 0.250 8.529 8.210 0.114 0.000 0.401 252 W N -1.275 120.048 121.300 0.039 0.000 2.304 252 W HA -0.541 nan 4.660 nan 0.000 0.315 252 W C 1.730 178.291 176.519 0.070 0.000 1.233 252 W CA 2.997 60.371 57.345 0.049 0.000 1.261 252 W CB -0.158 29.328 29.460 0.043 0.000 1.150 252 W HN -0.083 8.320 8.180 0.372 0.000 0.494 253 E N -2.741 117.488 120.200 0.047 0.000 2.051 253 E HA -0.364 nan 4.350 nan 0.000 0.192 253 E C 2.402 178.961 176.600 -0.068 0.000 0.991 253 E CA 3.223 59.578 56.400 -0.076 0.000 0.799 253 E CB -0.633 29.088 29.700 0.035 0.000 0.748 253 E HN -0.017 8.459 8.360 0.192 0.000 0.449 254 G N -0.525 108.284 108.800 0.016 0.000 2.446 254 G HA2 -0.381 nan 3.960 nan 0.000 0.217 254 G HA3 -0.381 nan 3.960 nan 0.000 0.217 254 G C 1.538 176.469 174.900 0.053 0.000 1.168 254 G CA 2.418 47.542 45.100 0.040 0.000 0.771 254 G HN -0.074 8.185 8.290 0.057 0.065 0.551 255 T N 4.907 119.483 114.554 0.037 0.000 2.746 255 T HA -0.332 nan 4.350 nan 0.000 0.267 255 T C 2.496 177.194 174.700 -0.004 0.000 1.039 255 T CA 4.911 67.052 62.100 0.067 0.000 1.142 255 T CB -0.560 68.373 68.868 0.108 0.000 0.866 255 T HN 0.281 8.441 8.240 0.045 0.106 0.444 256 R N 0.898 121.254 120.500 -0.240 0.000 2.083 256 R HA -0.409 nan 4.340 nan 0.000 0.237 256 R C 2.239 178.481 176.300 -0.096 0.000 1.137 256 R CA 3.745 59.680 56.100 -0.275 0.000 0.951 256 R CB -0.264 29.767 30.300 -0.448 0.000 0.851 256 R HN -0.399 7.658 8.270 -0.355 0.000 0.434 257 D N -0.942 119.421 120.400 -0.061 0.000 2.178 257 D HA -0.216 nan 4.640 nan 0.000 0.202 257 D C 2.127 178.449 176.300 0.037 0.000 0.974 257 D CA 3.280 57.269 54.000 -0.019 0.000 0.841 257 D CB -0.419 40.379 40.800 -0.004 0.000 0.953 257 D HN -0.175 8.079 8.370 -0.081 0.068 0.478 258 F N 0.174 120.109 119.950 -0.025 0.000 2.171 258 F HA -0.286 nan 4.527 nan 0.000 0.300 258 F C 0.589 176.402 175.800 0.022 0.000 1.090 258 F CA 2.729 60.730 58.000 0.002 0.000 1.293 258 F CB 0.124 39.128 39.000 0.008 0.000 1.013 258 F HN -0.181 8.127 8.300 0.202 0.113 0.486 259 A N -1.639 121.139 122.820 -0.069 0.000 1.929 259 A HA -0.105 nan 4.320 nan 0.000 0.216 259 A C -0.471 177.122 177.584 0.016 0.000 1.176 259 A CA 1.626 53.613 52.037 -0.083 0.000 0.628 259 A CB 0.950 19.971 19.000 0.036 0.000 0.816 259 A HN -0.263 7.848 8.150 0.087 0.091 0.444 260 A N -5.702 117.145 122.820 0.045 0.000 3.426 260 A HA 0.170 nan 4.320 nan 0.000 0.222 260 A C -0.782 176.843 177.584 0.068 0.000 1.090 260 A CA -0.078 52.066 52.037 0.177 0.000 1.026 260 A CB -0.489 18.742 19.000 0.385 0.000 1.342 260 A HN -0.345 7.714 8.150 -0.003 0.088 0.695 261 c N 1.173 119.760 118.600 -0.021 0.000 2.388 261 c HA -0.450 nan 4.570 nan 0.000 0.277 261 c C 0.774 174.796 174.090 -0.113 0.000 1.210 261 c CA 4.175 60.460 56.329 -0.073 0.000 1.743 261 c CB -0.924 41.557 42.510 -0.047 0.000 2.047 261 c HN 0.017 8.223 8.230 -0.041 0.000 0.458 262 N N -1.220 117.442 118.700 -0.063 0.000 2.036 262 N HA -0.351 nan 4.740 nan 0.000 0.195 262 N C 2.136 177.594 175.510 -0.086 0.000 1.037 262 N CA 3.661 56.668 53.050 -0.071 0.000 0.855 262 N CB -0.738 37.733 38.487 -0.027 0.000 1.033 262 N HN 0.292 8.646 8.380 -0.044 0.000 0.423 263 H N 1.802 120.831 119.070 -0.068 0.000 2.353 263 H HA -0.155 nan 4.556 nan 0.000 0.298 263 H C 2.001 177.245 175.328 -0.140 0.000 1.103 263 H CA 2.910 58.958 56.048 -0.000 0.000 1.293 263 H CB -0.035 29.859 29.762 0.220 0.000 1.372 263 H HN 0.012 8.394 8.280 0.170 0.000 0.501 264 L N -3.356 117.643 121.223 -0.374 0.000 2.552 264 L HA -0.109 nan 4.340 nan 0.000 0.227 264 L C 1.453 177.589 176.870 -1.224 0.000 1.146 264 L CA 1.216 55.491 54.840 -0.941 0.000 0.858 264 L CB -0.832 40.792 42.059 -0.724 0.000 0.969 264 L HN -0.078 8.047 8.230 -0.175 0.000 0.451 265 R N -0.694 119.283 120.500 -0.871 0.000 2.148 265 R HA -0.262 nan 4.340 nan 0.000 0.227 265 R C 1.920 177.361 176.300 -1.432 0.000 1.103 265 R CA 1.723 57.118 56.100 -1.175 0.000 0.983 265 R CB -0.969 28.688 30.300 -1.073 0.000 0.874 265 R HN -0.069 7.653 8.270 -0.602 0.187 0.451 266 S N 0.288 115.429 115.700 -0.931 0.000 2.370 266 S HA -0.290 nan 4.470 nan 0.000 0.226 266 S C 1.795 176.105 174.600 -0.483 0.000 1.033 266 S CA 3.697 61.549 58.200 -0.580 0.000 1.011 266 S CB -0.475 62.520 63.200 -0.341 0.000 0.852 266 S HN -0.334 7.491 8.310 -0.765 0.026 0.457 267 Y N -0.967 118.950 120.300 -0.639 0.000 2.475 267 Y HA 0.066 nan 4.550 nan 0.000 0.289 267 Y C 1.572 177.239 175.900 -0.389 0.000 1.121 267 Y CA 0.566 58.320 58.100 -0.576 0.000 1.257 267 Y CB -1.087 36.721 38.460 -1.088 0.000 1.026 267 Y HN -0.739 6.876 8.280 -1.107 0.000 0.555 268 K N 1.498 121.550 120.400 -0.580 0.000 2.103 268 K HA -0.320 nan 4.320 nan 0.000 0.204 268 K C 2.470 178.940 176.600 -0.217 0.000 1.052 268 K CA 3.421 59.514 56.287 -0.324 0.000 0.945 268 K CB -0.264 31.925 32.500 -0.519 0.000 0.722 268 K HN -0.752 6.746 8.250 -1.068 0.111 0.443 269 Y N -0.784 119.223 120.300 -0.488 0.000 2.133 269 Y HA -0.314 nan 4.550 nan 0.000 0.287 269 Y C 2.094 177.737 175.900 -0.430 0.000 1.134 269 Y CA 0.877 58.658 58.100 -0.532 0.000 1.133 269 Y CB -0.902 37.214 38.460 -0.573 0.000 0.987 269 Y HN 0.294 8.007 8.280 -0.755 0.113 0.502 270 Y N -0.593 119.572 120.300 -0.226 0.000 2.151 270 Y HA -0.549 nan 4.550 nan 0.000 0.284 270 Y C 2.116 177.944 175.900 -0.120 0.000 1.166 270 Y CA 4.411 62.392 58.100 -0.199 0.000 1.163 270 Y CB -0.074 38.307 38.460 -0.131 0.000 0.974 270 Y HN -0.417 7.863 8.280 0.000 0.000 0.511 271 T N 0.390 115.049 114.554 0.175 0.000 2.708 271 T HA -0.432 nan 4.350 nan 0.000 0.266 271 T C 2.026 176.767 174.700 0.069 0.000 1.037 271 T CA 4.601 66.785 62.100 0.140 0.000 1.146 271 T CB -0.722 68.253 68.868 0.179 0.000 0.865 271 T HN -0.258 8.093 8.240 0.185 0.000 0.435 272 D N 0.936 121.414 120.400 0.130 0.000 2.117 272 D HA -0.139 nan 4.640 nan 0.000 0.197 272 D C 2.466 178.891 176.300 0.209 0.000 0.987 272 D CA 2.833 56.971 54.000 0.230 0.000 0.829 272 D CB -0.202 40.884 40.800 0.477 0.000 0.961 272 D HN -0.604 7.857 8.370 0.153 0.000 0.460 273 S N 0.770 116.462 115.700 -0.012 0.000 2.387 273 S HA -0.342 nan 4.470 nan 0.000 0.230 273 S C 2.631 177.299 174.600 0.113 0.000 1.035 273 S CA 3.325 61.546 58.200 0.035 0.000 1.014 273 S CB -0.163 62.783 63.200 -0.424 0.000 0.836 273 S HN -0.267 7.889 8.310 -0.257 0.000 0.466 274 I N 1.357 121.850 120.570 -0.128 0.000 2.185 274 I HA -0.453 nan 4.170 nan 0.000 0.246 274 I C 0.749 176.947 176.117 0.136 0.000 1.088 274 I CA 3.602 64.780 61.300 -0.203 0.000 1.347 274 I CB -0.153 37.633 38.000 -0.355 0.000 1.041 274 I HN -0.593 7.462 8.210 -0.240 0.011 0.415 275 V N -9.068 110.934 119.914 0.145 0.000 3.444 275 V HA 0.161 nan 4.120 nan 0.000 0.308 275 V C -0.312 175.908 176.094 0.210 0.000 1.371 275 V CA -0.762 61.641 62.300 0.172 0.000 1.141 275 V CB -1.291 30.604 31.823 0.120 0.000 1.037 275 V HN -0.471 7.686 8.190 0.114 0.101 0.433 276 N N 0.603 119.468 118.700 0.274 0.000 2.752 276 N HA 0.433 nan 4.740 nan 0.000 0.260 276 N C -2.063 173.611 175.510 0.273 0.000 1.562 276 N CA -1.927 51.286 53.050 0.272 0.000 0.788 276 N CB 0.968 39.619 38.487 0.273 0.000 1.192 276 N HN -0.077 8.280 8.380 0.318 0.214 0.503 277 P HA -0.129 nan 4.420 nan 0.000 0.221 277 P C -0.649 176.621 177.300 -0.050 0.000 1.145 277 P CA 2.073 65.065 63.100 -0.179 0.000 0.795 277 P CB -0.024 31.325 31.700 -0.585 0.000 0.775 278 D N -6.369 114.090 120.400 0.099 0.000 2.469 278 D HA 0.049 nan 4.640 nan 0.000 0.213 278 D C 0.893 177.251 176.300 0.098 0.000 1.135 278 D CA -0.537 53.548 54.000 0.142 0.000 0.834 278 D CB -1.261 39.664 40.800 0.209 0.000 1.009 278 D HN -0.138 8.300 8.370 0.170 0.033 0.507 279 G N -1.912 106.845 108.800 -0.071 0.000 2.776 279 G HA2 -0.115 nan 3.960 nan 0.000 0.209 279 G HA3 -0.115 nan 3.960 nan 0.000 0.209 279 G C -0.669 173.535 174.900 -1.160 0.000 1.145 279 G CA 1.162 45.716 45.100 -0.909 0.000 0.791 279 G HN -0.491 7.742 8.290 0.091 0.112 0.530 280 F N -0.645 119.125 119.950 -0.300 0.000 2.749 280 F HA 0.211 nan 4.527 nan 0.000 0.380 280 F C -2.010 173.654 175.800 -0.227 0.000 1.365 280 F CA -2.893 54.946 58.000 -0.269 0.000 1.186 280 F CB 0.165 39.006 39.000 -0.264 0.000 1.080 280 F HN -0.090 8.421 8.300 -0.090 -0.265 0.513 281 A N 1.058 123.794 122.820 -0.140 0.000 2.537 281 A HA -0.012 nan 4.320 nan 0.000 0.260 281 A C -0.178 177.249 177.584 -0.262 0.000 1.082 281 A CA 0.752 52.647 52.037 -0.238 0.000 0.765 281 A CB -0.535 18.266 19.000 -0.332 0.000 1.019 281 A HN -0.247 7.772 8.150 -0.219 0.000 0.507 282 G N 2.626 111.320 108.800 -0.176 0.000 2.367 282 G HA2 0.278 nan 3.960 nan 0.000 0.314 282 G HA3 0.278 nan 3.960 nan 0.000 0.314 282 G C -1.620 173.242 174.900 -0.063 0.000 1.130 282 G CA -0.749 44.392 45.100 0.068 0.000 0.864 282 G HN 0.482 8.672 8.290 -0.166 0.000 0.486 283 F N 1.680 121.757 119.950 0.211 0.000 2.427 283 F HA 0.310 nan 4.527 nan 0.000 0.346 283 F C -1.377 174.520 175.800 0.162 0.000 1.120 283 F CA -2.901 55.234 58.000 0.224 0.000 1.033 283 F CB 2.306 41.471 39.000 0.274 0.000 1.126 283 F HN 0.777 9.198 8.300 0.402 0.120 0.462 284 P HA 0.202 nan 4.420 nan 0.000 0.271 284 P C -1.731 175.623 177.300 0.090 0.000 1.216 284 P CA -0.034 62.984 63.100 -0.137 0.000 0.771 284 P CB 0.163 31.806 31.700 -0.094 0.000 0.864 285 c N 3.214 121.867 118.600 0.088 0.000 3.283 285 c HA 0.119 nan 4.570 nan 0.000 0.359 285 c C -0.292 173.881 174.090 0.139 0.000 1.160 285 c CA 0.261 56.693 56.329 0.172 0.000 1.232 285 c CB 2.677 45.363 42.510 0.294 0.000 1.571 285 c HN -0.191 8.021 8.230 -0.030 0.000 0.522 286 A N 4.345 127.198 122.820 0.055 0.000 1.903 286 A HA -0.253 nan 4.320 nan 0.000 0.219 286 A C -1.304 176.273 177.584 -0.012 0.000 1.191 286 A CA 2.726 54.771 52.037 0.014 0.000 0.638 286 A CB 0.190 19.185 19.000 -0.008 0.000 0.823 286 A HN 0.710 8.889 8.150 0.050 0.000 0.451 287 S N -5.671 109.960 115.700 -0.116 0.000 2.661 287 S HA 0.144 nan 4.470 nan 0.000 0.268 287 S C -0.333 173.866 174.600 -0.668 0.000 1.162 287 S CA -1.239 56.775 58.200 -0.310 0.000 0.817 287 S CB 1.346 64.442 63.200 -0.174 0.000 1.141 287 S HN -0.872 7.371 8.310 -0.112 0.000 0.477 288 Y N 1.716 121.458 120.300 -0.930 0.000 2.395 288 Y HA -0.095 nan 4.550 nan 0.000 0.293 288 Y C 0.361 176.136 175.900 -0.209 0.000 1.123 288 Y CA 2.248 59.911 58.100 -0.730 0.000 1.227 288 Y CB 0.386 38.559 38.460 -0.478 0.000 1.012 288 Y HN 0.446 8.438 8.280 -0.479 0.000 0.552 289 N N 0.458 119.028 118.700 -0.216 0.000 2.171 289 N HA -0.320 nan 4.740 nan 0.000 0.184 289 N C 1.880 177.277 175.510 -0.188 0.000 1.021 289 N CA 3.093 56.025 53.050 -0.197 0.000 0.854 289 N CB 0.157 38.585 38.487 -0.098 0.000 0.994 289 N HN -0.636 7.649 8.380 -0.160 0.000 0.426 290 V N -0.257 119.570 119.914 -0.144 0.000 2.469 290 V HA -0.424 nan 4.120 nan 0.000 0.251 290 V C 1.348 177.394 176.094 -0.080 0.000 1.064 290 V CA 3.789 66.034 62.300 -0.093 0.000 1.066 290 V CB -1.003 30.788 31.823 -0.054 0.000 0.667 290 V HN -0.679 7.422 8.190 -0.148 0.000 0.461 291 F N -0.943 118.845 119.950 -0.270 0.000 2.084 291 F HA -0.329 nan 4.527 nan 0.000 0.296 291 F C 1.984 177.613 175.800 -0.285 0.000 1.111 291 F CA 3.309 61.163 58.000 -0.242 0.000 1.224 291 F CB 0.142 39.000 39.000 -0.238 0.000 0.991 291 F HN -0.772 7.372 8.300 -0.078 0.109 0.471 292 T N -2.837 111.420 114.554 -0.496 0.000 3.072 292 T HA -0.203 nan 4.350 nan 0.000 0.266 292 T C 1.026 175.528 174.700 -0.330 0.000 1.127 292 T CA 1.996 63.791 62.100 -0.507 0.000 1.107 292 T CB -0.577 68.017 68.868 -0.457 0.000 0.910 292 T HN -0.182 7.791 8.240 -0.445 0.000 0.513 293 A N -0.298 122.367 122.820 -0.259 0.000 2.278 293 A HA 0.150 nan 4.320 nan 0.000 0.212 293 A C -1.494 175.990 177.584 -0.165 0.000 1.213 293 A CA -0.529 51.408 52.037 -0.166 0.000 0.840 293 A CB 0.602 19.532 19.000 -0.117 0.000 0.866 293 A HN -0.450 7.374 8.150 -0.257 0.173 0.489 294 N N -4.171 114.376 118.700 -0.255 0.000 2.726 294 N HA -0.430 nan 4.740 nan 0.000 0.253 294 N C -0.860 174.576 175.510 -0.123 0.000 1.059 294 N CA 1.056 53.963 53.050 -0.237 0.000 0.701 294 N CB -1.705 36.671 38.487 -0.186 0.000 0.899 294 N HN -0.116 7.847 8.380 -0.358 0.202 0.548 295 K N -3.998 116.348 120.400 -0.090 0.000 2.533 295 K HA 0.236 nan 4.320 nan 0.000 0.202 295 K C -1.147 175.487 176.600 0.056 0.000 1.096 295 K CA -0.443 55.837 56.287 -0.010 0.000 1.056 295 K CB 1.484 33.974 32.500 -0.016 0.000 0.890 295 K HN -0.494 7.677 8.250 -0.133 0.000 0.552 296 c N 0.048 118.703 118.600 0.092 0.000 3.025 296 c HA 0.296 nan 4.570 nan 0.000 0.240 296 c C -1.488 172.732 174.090 0.216 0.000 2.061 296 c CA -0.798 55.654 56.329 0.205 0.000 1.571 296 c CB -1.071 41.647 42.510 0.347 0.000 3.075 296 c HN -0.071 8.167 8.230 0.014 0.000 0.479 297 F N 0.912 120.844 119.950 -0.030 0.000 2.578 297 F HA 0.433 nan 4.527 nan 0.000 0.311 297 F C -2.070 173.756 175.800 0.044 0.000 1.094 297 F CA -3.225 54.744 58.000 -0.052 0.000 0.923 297 F CB 2.678 41.541 39.000 -0.229 0.000 1.230 297 F HN -0.578 7.839 8.300 0.196 0.000 0.450 298 P HA 0.470 nan 4.420 nan 0.000 0.328 298 P C -1.815 175.404 177.300 -0.135 0.000 1.305 298 P CA -1.024 61.489 63.100 -0.979 0.000 0.745 298 P CB 1.660 32.835 31.700 -0.876 0.000 1.462 299 c N 0.461 119.034 118.600 -0.045 0.000 2.703 299 c HA 0.015 nan 4.570 nan 0.000 0.411 299 c C -0.732 173.381 174.090 0.039 0.000 1.290 299 c CA -0.393 55.959 56.329 0.039 0.000 2.054 299 c CB -1.337 41.127 42.510 -0.077 0.000 2.732 299 c HN 0.214 8.230 8.230 -0.172 0.111 0.650 300 P HA 0.169 nan 4.420 nan 0.000 0.277 300 P C -1.141 176.196 177.300 0.062 0.000 1.276 300 P CA -0.626 62.523 63.100 0.082 0.000 0.788 300 P CB 0.657 32.431 31.700 0.123 0.000 1.114 301 S N -1.315 114.417 115.700 0.053 0.000 2.549 301 S HA -0.206 nan 4.470 nan 0.000 0.286 301 S C 0.583 175.216 174.600 0.054 0.000 1.314 301 S CA 0.959 59.182 58.200 0.039 0.000 1.062 301 S CB -0.270 62.946 63.200 0.027 0.000 0.865 301 S HN 0.137 8.479 8.310 0.054 0.000 0.498 302 G N 3.676 112.501 108.800 0.042 0.000 2.258 302 G HA2 -0.326 nan 3.960 nan 0.000 0.233 302 G HA3 -0.326 nan 3.960 nan 0.000 0.233 302 G C -0.705 174.250 174.900 0.092 0.000 1.006 302 G CA -0.523 44.606 45.100 0.049 0.000 0.620 302 G HN 0.199 8.506 8.290 0.029 0.000 0.511 303 G N -1.156 107.702 108.800 0.097 0.000 2.483 303 G HA2 -0.278 nan 3.960 nan 0.000 0.521 303 G HA3 -0.278 nan 3.960 nan 0.000 0.521 303 G C -1.899 173.049 174.900 0.081 0.000 1.278 303 G CA -0.363 44.784 45.100 0.078 0.000 0.965 303 G HN -0.234 7.894 8.290 0.081 0.211 0.504 304 c N 1.656 120.214 118.600 -0.071 0.000 2.435 304 c HA 0.497 nan 4.570 nan 0.000 0.333 304 c C -1.776 172.072 174.090 -0.403 0.000 1.202 304 c CA -3.029 53.153 56.329 -0.245 0.000 1.830 304 c CB 1.803 44.079 42.510 -0.390 0.000 2.326 304 c HN 0.320 8.504 8.230 -0.077 0.000 0.507 305 P HA 0.093 nan 4.420 nan 0.000 0.282 305 P C -1.779 175.362 177.300 -0.265 0.000 1.249 305 P CA -0.655 62.017 63.100 -0.713 0.000 0.806 305 P CB 1.000 31.990 31.700 -1.184 0.000 0.984 306 Q N -0.215 119.493 119.800 -0.153 0.000 2.267 306 Q HA 0.222 nan 4.340 nan 0.000 0.255 306 Q C -0.858 174.947 176.000 -0.326 0.000 0.923 306 Q CA -0.976 54.754 55.803 -0.123 0.000 0.925 306 Q CB 0.603 29.348 28.738 0.012 0.000 1.195 306 Q HN 0.239 8.444 8.270 -0.109 0.000 0.417 307 M N 4.986 124.240 119.600 -0.576 0.000 2.238 307 M HA -0.081 nan 4.480 nan 0.000 0.347 307 M C -0.681 175.196 176.300 -0.705 0.000 1.173 307 M CA 1.423 55.972 55.300 -1.252 0.000 1.147 307 M CB 0.736 32.676 32.600 -1.100 0.000 1.547 307 M HN 0.134 8.238 8.290 -0.311 0.000 0.455 308 G N 3.211 111.634 108.800 -0.628 0.000 2.501 308 G HA2 -0.399 nan 3.960 nan 0.000 0.213 308 G HA3 -0.399 nan 3.960 nan 0.000 0.213 308 G C -0.321 174.299 174.900 -0.466 0.000 1.158 308 G CA -0.094 44.681 45.100 -0.543 0.000 1.079 308 G HN -0.273 7.594 8.290 -0.704 0.000 0.586 309 H N 4.570 123.095 119.070 -0.909 0.000 2.353 309 H HA -0.138 nan 4.556 nan 0.000 0.300 309 H C 2.105 177.107 175.328 -0.544 0.000 1.090 309 H CA 3.548 59.133 56.048 -0.772 0.000 1.327 309 H CB 0.629 29.785 29.762 -1.011 0.000 1.383 309 H HN -0.159 7.632 8.280 -0.816 0.000 0.508 310 Y N -3.395 116.831 120.300 -0.124 0.000 2.470 310 Y HA -0.000 nan 4.550 nan 0.000 0.284 310 Y C 0.272 176.133 175.900 -0.066 0.000 1.188 310 Y CA -1.029 57.014 58.100 -0.096 0.000 1.269 310 Y CB -1.804 36.641 38.460 -0.026 0.000 1.094 310 Y HN -0.015 8.167 8.280 -0.162 0.000 0.518 311 A N 0.131 122.973 122.820 0.038 0.000 2.121 311 A HA -0.257 nan 4.320 nan 0.000 0.218 311 A C 0.934 178.625 177.584 0.178 0.000 1.154 311 A CA 2.624 54.738 52.037 0.129 0.000 0.679 311 A CB -0.763 18.351 19.000 0.191 0.000 0.795 311 A HN -0.623 7.415 8.150 -0.054 0.080 0.458 312 D N -4.492 115.971 120.400 0.104 0.000 2.355 312 D HA -0.136 nan 4.640 nan 0.000 0.218 312 D C 1.077 177.304 176.300 -0.122 0.000 1.004 312 D CA 1.641 55.590 54.000 -0.085 0.000 0.880 312 D CB -0.519 40.275 40.800 -0.010 0.000 0.911 312 D HN -0.099 8.258 8.370 0.060 0.049 0.528 313 R N -1.983 118.517 120.500 -0.000 0.000 2.297 313 R HA -0.058 nan 4.340 nan 0.000 0.197 313 R C -0.233 176.084 176.300 0.030 0.000 0.943 313 R CA 0.044 56.152 56.100 0.014 0.000 1.038 313 R CB -0.072 30.272 30.300 0.072 0.000 0.957 313 R HN -0.535 7.593 8.270 0.056 0.176 0.484 314 Y N 3.940 124.161 120.300 -0.131 0.000 2.436 314 Y HA 0.120 nan 4.550 nan 0.000 0.336 314 Y C -1.464 174.339 175.900 -0.161 0.000 1.049 314 Y CA -2.860 55.160 58.100 -0.132 0.000 1.294 314 Y CB -0.140 38.238 38.460 -0.136 0.000 1.179 314 Y HN -0.695 7.558 8.280 0.086 0.078 0.520 315 P HA -0.225 nan 4.420 nan 0.000 0.215 315 P C 0.497 177.446 177.300 -0.585 0.000 1.163 315 P CA 2.320 65.160 63.100 -0.434 0.000 0.894 315 P CB 0.178 31.685 31.700 -0.321 0.000 0.791 316 G N -5.143 103.054 108.800 -1.006 0.000 3.591 316 G HA2 0.171 nan 3.960 nan 0.000 0.282 316 G HA3 0.171 nan 3.960 nan 0.000 0.282 316 G C 0.313 174.942 174.900 -0.451 0.000 1.238 316 G CA -0.770 43.948 45.100 -0.638 0.000 0.993 316 G HN 0.129 7.413 8.290 -1.677 0.000 0.542 317 K N 0.005 120.145 120.400 -0.433 0.000 2.160 317 K HA -0.273 nan 4.320 nan 0.000 0.206 317 K C 0.519 177.065 176.600 -0.090 0.000 1.047 317 K CA 2.507 58.708 56.287 -0.143 0.000 0.930 317 K CB -0.443 31.730 32.500 -0.546 0.000 0.720 317 K HN -0.574 7.261 8.250 -0.557 0.081 0.450 318 T N -8.451 105.962 114.554 -0.234 0.000 3.132 318 T HA 0.329 nan 4.350 nan 0.000 0.274 318 T C 0.343 174.958 174.700 -0.141 0.000 1.011 318 T CA -1.347 60.567 62.100 -0.310 0.000 0.899 318 T CB -0.697 67.900 68.868 -0.452 0.000 1.089 318 T HN -0.130 7.932 8.240 -0.272 0.016 0.543 319 N N 0.862 119.516 118.700 -0.076 0.000 2.205 319 N HA -0.253 nan 4.740 nan 0.000 0.186 319 N C -0.544 174.982 175.510 0.027 0.000 1.015 319 N CA 2.361 55.393 53.050 -0.030 0.000 0.862 319 N CB 0.461 38.936 38.487 -0.021 0.000 0.986 319 N HN -0.253 7.902 8.380 -0.089 0.171 0.429 320 D N -4.563 115.884 120.400 0.079 0.000 2.639 320 D HA 0.103 nan 4.640 nan 0.000 0.271 320 D C -1.682 174.743 176.300 0.208 0.000 1.254 320 D CA -0.871 53.201 54.000 0.119 0.000 0.810 320 D CB 3.750 44.613 40.800 0.105 0.000 1.351 320 D HN -0.668 7.733 8.370 0.092 0.024 0.427 321 V N -4.338 115.702 119.914 0.211 0.000 2.630 321 V HA 0.437 nan 4.120 nan 0.000 0.305 321 V C 0.176 176.369 176.094 0.164 0.000 1.046 321 V CA -2.381 60.071 62.300 0.254 0.000 0.934 321 V CB 0.924 32.865 31.823 0.196 0.000 1.003 321 V HN 0.061 8.344 8.190 0.155 0.000 0.451 322 G N 4.980 113.875 108.800 0.158 0.000 2.176 322 G HA2 -0.305 nan 3.960 nan 0.000 0.252 322 G HA3 -0.305 nan 3.960 nan 0.000 0.252 322 G C -0.349 174.615 174.900 0.106 0.000 1.024 322 G CA 0.279 45.452 45.100 0.122 0.000 0.755 322 G HN 0.442 8.647 8.290 0.180 0.193 0.507 323 Q N -0.264 119.624 119.800 0.148 0.000 2.271 323 Q HA -0.179 nan 4.340 nan 0.000 0.273 323 Q C -0.242 175.698 176.000 -0.101 0.000 1.051 323 Q CA 0.077 55.911 55.803 0.052 0.000 0.901 323 Q CB 0.518 29.421 28.738 0.275 0.000 1.174 323 Q HN -0.048 8.356 8.270 0.222 0.000 0.385 324 K N 3.813 124.003 120.400 -0.350 0.000 2.227 324 K HA 0.539 nan 4.320 nan 0.000 0.280 324 K C -0.893 175.125 176.600 -0.970 0.000 1.041 324 K CA -0.200 55.861 56.287 -0.376 0.000 0.905 324 K CB 1.348 33.751 32.500 -0.163 0.000 1.068 324 K HN 0.337 8.402 8.250 -0.308 0.000 0.470 325 F N 2.718 122.358 119.950 -0.517 0.000 2.563 325 F HA 0.541 nan 4.527 nan 0.000 0.316 325 F C -1.334 174.095 175.800 -0.619 0.000 1.076 325 F CA -1.700 56.009 58.000 -0.485 0.000 0.921 325 F CB 3.451 42.127 39.000 -0.539 0.000 1.209 325 F HN 0.261 8.385 8.300 -0.293 0.000 0.462 326 Y N -1.166 119.209 120.300 0.125 0.000 2.536 326 Y HA 0.749 nan 4.550 nan 0.000 0.347 326 Y C -1.637 174.142 175.900 -0.200 0.000 1.000 326 Y CA -1.283 56.779 58.100 -0.064 0.000 1.051 326 Y CB 3.421 41.695 38.460 -0.310 0.000 1.259 326 Y HN 0.529 8.817 8.280 0.115 0.061 0.468 327 L N -6.179 115.096 121.223 0.087 0.000 2.921 327 L HA 0.382 nan 4.340 nan 0.000 0.261 327 L C -2.572 174.509 176.870 0.352 0.000 0.984 327 L CA -0.391 54.605 54.840 0.259 0.000 0.951 327 L CB 3.108 45.331 42.059 0.274 0.000 1.495 327 L HN 0.033 8.410 8.230 0.245 0.000 0.414 328 D N 0.531 121.166 120.400 0.392 0.000 2.252 328 D HA 0.629 nan 4.640 nan 0.000 0.245 328 D C -0.721 175.657 176.300 0.129 0.000 1.009 328 D CA -0.644 53.531 54.000 0.292 0.000 0.870 328 D CB 3.277 44.281 40.800 0.341 0.000 1.251 328 D HN 0.203 8.835 8.370 0.435 0.000 0.460 329 T N -3.121 111.475 114.554 0.069 0.000 2.762 329 T HA 0.471 nan 4.350 nan 0.000 0.272 329 T C -0.091 174.694 174.700 0.142 0.000 0.982 329 T CA -2.347 59.768 62.100 0.025 0.000 1.013 329 T CB 3.348 72.124 68.868 -0.153 0.000 1.309 329 T HN -0.017 8.593 8.240 0.096 -0.313 0.572 330 G N -0.070 108.877 108.800 0.244 0.000 2.557 330 G HA2 0.181 nan 3.960 nan 0.000 0.292 330 G HA3 0.181 nan 3.960 nan 0.000 0.292 330 G C -0.661 174.476 174.900 0.395 0.000 1.237 330 G CA -1.226 44.023 45.100 0.249 0.000 0.978 330 G HN -0.093 8.257 8.290 0.298 0.118 0.498 331 D N -4.782 115.770 120.400 0.254 0.000 2.369 331 D HA -0.036 nan 4.640 nan 0.000 0.211 331 D C -1.304 175.133 176.300 0.229 0.000 1.077 331 D CA 0.111 54.275 54.000 0.274 0.000 0.842 331 D CB 0.355 41.255 40.800 0.166 0.000 0.947 331 D HN 0.221 8.685 8.370 0.157 0.000 0.509 332 A N -1.822 120.984 122.820 -0.024 0.000 2.609 332 A HA 0.153 nan 4.320 nan 0.000 0.291 332 A C -1.931 175.095 177.584 -0.931 0.000 1.096 332 A CA -0.825 51.037 52.037 -0.290 0.000 0.684 332 A CB 2.402 21.332 19.000 -0.116 0.000 1.282 332 A HN -0.822 7.231 8.150 -0.075 0.052 0.412 333 S N -0.089 115.071 115.700 -0.901 0.000 2.599 333 S HA -0.232 nan 4.470 nan 0.000 0.303 333 S C 0.680 175.008 174.600 -0.452 0.000 1.267 333 S CA 0.905 58.623 58.200 -0.804 0.000 1.055 333 S CB 0.112 63.153 63.200 -0.264 0.000 0.790 333 S HN 0.314 8.310 8.310 -0.523 0.000 0.500 334 N N 5.309 123.811 118.700 -0.330 0.000 2.890 334 N HA -0.203 nan 4.740 nan 0.000 0.257 334 N C -0.620 174.843 175.510 -0.078 0.000 1.111 334 N CA 0.704 53.722 53.050 -0.053 0.000 0.669 334 N CB -1.082 37.411 38.487 0.010 0.000 0.950 334 N HN 0.228 8.612 8.380 -0.364 -0.223 0.568 335 F N -2.096 117.947 119.950 0.154 0.000 2.771 335 F HA -0.267 nan 4.527 nan 0.000 0.299 335 F C 0.186 175.900 175.800 -0.143 0.000 1.177 335 F CA 1.026 59.110 58.000 0.140 0.000 1.450 335 F CB -0.641 38.567 39.000 0.347 0.000 1.114 335 F HN -0.029 8.769 8.300 0.302 -0.317 0.587 336 A N -1.073 121.603 122.820 -0.241 0.000 2.477 336 A HA -0.001 nan 4.320 nan 0.000 0.246 336 A C -0.753 176.342 177.584 -0.815 0.000 1.078 336 A CA 0.683 52.122 52.037 -0.996 0.000 0.770 336 A CB 0.369 18.859 19.000 -0.849 0.000 1.011 336 A HN -0.814 7.383 8.150 -0.036 -0.069 0.494 337 R N 1.895 121.765 120.500 -1.052 0.000 2.651 337 R HA 0.447 nan 4.340 nan 0.000 0.278 337 R C -1.483 174.406 176.300 -0.684 0.000 1.010 337 R CA -1.362 54.420 56.100 -0.530 0.000 0.896 337 R CB 3.984 34.165 30.300 -0.197 0.000 1.211 337 R HN -0.053 7.405 8.270 -1.355 0.000 0.456 338 W N 1.931 123.230 121.300 -0.002 0.000 2.411 338 W HA 0.178 nan 4.660 nan 0.000 0.317 338 W C -1.496 174.960 176.519 -0.105 0.000 1.030 338 W CA -1.487 55.825 57.345 -0.055 0.000 1.239 338 W CB 2.280 31.698 29.460 -0.070 0.000 1.304 338 W HN 0.947 9.268 8.180 0.417 0.109 0.437 339 R N 4.836 125.385 120.500 0.082 0.000 2.347 339 R HA 0.228 nan 4.340 nan 0.000 0.304 339 R C -1.384 174.736 176.300 -0.300 0.000 1.072 339 R CA 0.395 56.483 56.100 -0.020 0.000 0.980 339 R CB 1.001 31.426 30.300 0.209 0.000 0.986 339 R HN 0.510 8.882 8.270 0.170 0.000 0.448 340 Y N 4.019 124.031 120.300 -0.481 0.000 2.753 340 Y HA 0.507 nan 4.550 nan 0.000 0.324 340 Y C -1.179 174.124 175.900 -0.995 0.000 1.147 340 Y CA -1.686 56.072 58.100 -0.570 0.000 1.173 340 Y CB 4.169 42.244 38.460 -0.642 0.000 1.361 340 Y HN 0.637 8.579 8.280 -0.564 0.000 0.545 341 K N -1.192 118.922 120.400 -0.477 0.000 2.550 341 K HA 0.614 nan 4.320 nan 0.000 0.252 341 K C -2.498 174.048 176.600 -0.091 0.000 0.943 341 K CA -0.368 55.662 56.287 -0.428 0.000 0.806 341 K CB 4.054 36.288 32.500 -0.443 0.000 1.289 341 K HN -0.085 8.108 8.250 -0.096 0.000 0.435 342 V N 5.283 125.197 119.914 0.001 0.000 2.709 342 V HA 0.655 nan 4.120 nan 0.000 0.308 342 V C -1.749 174.425 176.094 0.133 0.000 1.062 342 V CA -1.545 60.839 62.300 0.140 0.000 0.901 342 V CB 3.649 35.629 31.823 0.261 0.000 1.003 342 V HN 0.501 8.677 8.190 -0.025 0.000 0.425 343 S N 4.688 120.470 115.700 0.135 0.000 2.640 343 S HA 0.588 nan 4.470 nan 0.000 0.320 343 S C -1.349 173.318 174.600 0.111 0.000 1.097 343 S CA -1.497 56.762 58.200 0.098 0.000 1.092 343 S CB 0.604 63.842 63.200 0.062 0.000 0.988 343 S HN 0.271 8.676 8.310 0.158 0.000 0.470 344 V N 6.450 126.435 119.914 0.119 0.000 2.394 344 V HA 0.508 nan 4.120 nan 0.000 0.282 344 V C -1.056 175.056 176.094 0.029 0.000 1.031 344 V CA -0.996 61.375 62.300 0.117 0.000 0.881 344 V CB 1.203 33.160 31.823 0.223 0.000 0.982 344 V HN 0.923 9.188 8.190 0.126 0.000 0.451 345 T N 9.561 124.105 114.554 -0.015 0.000 2.758 345 T HA 0.633 nan 4.350 nan 0.000 0.285 345 T C -0.618 174.027 174.700 -0.093 0.000 0.981 345 T CA -0.340 61.719 62.100 -0.067 0.000 0.965 345 T CB 0.351 69.181 68.868 -0.063 0.000 0.927 345 T HN 0.694 8.932 8.240 -0.003 0.000 0.448 346 L N 6.191 127.360 121.223 -0.090 0.000 2.453 346 L HA 0.450 nan 4.340 nan 0.000 0.261 346 L C -0.769 176.028 176.870 -0.121 0.000 1.179 346 L CA -0.028 54.746 54.840 -0.111 0.000 0.813 346 L CB 0.802 42.836 42.059 -0.041 0.000 1.110 346 L HN 0.844 9.020 8.230 -0.090 0.000 0.466 347 S N -1.265 114.347 115.700 -0.147 0.000 2.607 347 S HA 0.290 nan 4.470 nan 0.000 0.273 347 S C -0.725 173.813 174.600 -0.104 0.000 1.148 347 S CA -1.092 57.041 58.200 -0.112 0.000 0.833 347 S CB 2.934 66.069 63.200 -0.109 0.000 1.130 347 S HN 0.300 8.495 8.310 -0.192 0.000 0.470 348 G N 0.988 109.747 108.800 -0.069 0.000 2.475 348 G HA2 -0.397 nan 3.960 nan 0.000 0.223 348 G HA3 -0.397 nan 3.960 nan 0.000 0.223 348 G C -1.609 173.256 174.900 -0.059 0.000 1.201 348 G CA -0.140 44.928 45.100 -0.053 0.000 0.962 348 G HN 0.039 8.295 8.290 -0.058 0.000 0.586 349 K N 2.791 123.148 120.400 -0.071 0.000 2.098 349 K HA 0.143 nan 4.320 nan 0.000 0.258 349 K C -0.776 175.762 176.600 -0.103 0.000 0.973 349 K CA -1.106 55.142 56.287 -0.066 0.000 0.898 349 K CB 1.816 34.296 32.500 -0.033 0.000 1.057 349 K HN 0.077 8.279 8.250 -0.080 0.000 0.447 350 K N 1.809 122.169 120.400 -0.066 0.000 2.349 350 K HA -0.009 nan 4.320 nan 0.000 0.288 350 K C -1.535 175.023 176.600 -0.070 0.000 1.058 350 K CA 0.275 56.525 56.287 -0.062 0.000 0.953 350 K CB 0.117 32.599 32.500 -0.030 0.000 0.997 350 K HN 0.078 8.301 8.250 -0.044 0.000 0.477 351 V N 5.218 125.070 119.914 -0.103 0.000 3.112 351 V HA 0.361 nan 4.120 nan 0.000 0.310 351 V C -2.472 173.581 176.094 -0.069 0.000 1.364 351 V CA -1.947 60.296 62.300 -0.095 0.000 1.058 351 V CB 4.826 36.513 31.823 -0.227 0.000 1.079 351 V HN 0.037 8.161 8.190 -0.110 0.000 0.463 352 T N 3.422 117.959 114.554 -0.027 0.000 2.812 352 T HA 0.775 nan 4.350 nan 0.000 0.282 352 T C -0.820 173.872 174.700 -0.013 0.000 0.990 352 T CA -0.866 61.210 62.100 -0.039 0.000 0.960 352 T CB 1.598 70.449 68.868 -0.028 0.000 0.948 352 T HN 0.418 8.668 8.240 0.017 0.000 0.438 353 G N 4.670 113.409 108.800 -0.102 0.000 2.342 353 G HA2 0.285 nan 3.960 nan 0.000 0.297 353 G HA3 0.285 nan 3.960 nan 0.000 0.297 353 G C -2.232 172.493 174.900 -0.292 0.000 1.313 353 G CA 0.604 45.660 45.100 -0.073 0.000 0.830 353 G HN 0.463 8.649 8.290 -0.173 0.000 0.506 354 H N -0.258 118.590 119.070 -0.370 0.000 2.467 354 H HA 0.706 nan 4.556 nan 0.000 0.326 354 H C -0.438 174.802 175.328 -0.148 0.000 1.094 354 H CA -0.948 54.886 56.048 -0.356 0.000 1.253 354 H CB 2.331 31.756 29.762 -0.562 0.000 1.439 354 H HN 0.398 8.589 8.280 -0.148 0.000 0.479 355 I N -0.942 119.665 120.570 0.062 0.000 2.404 355 I HA 0.820 nan 4.170 nan 0.000 0.293 355 I C -2.126 174.020 176.117 0.048 0.000 0.992 355 I CA -1.555 59.781 61.300 0.059 0.000 1.149 355 I CB 1.346 39.466 38.000 0.200 0.000 1.315 355 I HN 0.887 9.112 8.210 0.025 0.000 0.446 356 L N 6.038 127.225 121.223 -0.060 0.000 2.341 356 L HA 0.789 nan 4.340 nan 0.000 0.267 356 L C -1.839 175.004 176.870 -0.045 0.000 1.009 356 L CA -1.189 53.630 54.840 -0.035 0.000 0.819 356 L CB 2.843 44.879 42.059 -0.038 0.000 1.323 356 L HN 0.849 8.849 8.230 -0.207 0.106 0.425 357 V N -0.591 119.327 119.914 0.006 0.000 2.971 357 V HA 0.617 nan 4.120 nan 0.000 0.309 357 V C -1.986 174.121 176.094 0.022 0.000 1.130 357 V CA -1.048 61.297 62.300 0.074 0.000 0.964 357 V CB 3.940 35.869 31.823 0.177 0.000 1.029 357 V HN 0.038 8.211 8.190 -0.029 0.000 0.427 358 S N 2.701 118.433 115.700 0.055 0.000 2.548 358 S HA 0.914 nan 4.470 nan 0.000 0.286 358 S C -1.184 173.400 174.600 -0.027 0.000 1.098 358 S CA -1.690 56.498 58.200 -0.021 0.000 0.930 358 S CB 2.605 65.769 63.200 -0.060 0.000 1.070 358 S HN 0.021 8.398 8.310 0.111 0.000 0.480 359 L N -0.095 121.001 121.223 -0.211 0.000 2.325 359 L HA 0.898 nan 4.340 nan 0.000 0.278 359 L C -1.403 175.154 176.870 -0.521 0.000 1.023 359 L CA -0.992 53.696 54.840 -0.254 0.000 0.811 359 L CB 1.854 43.729 42.059 -0.307 0.000 1.249 359 L HN -0.055 8.045 8.230 -0.217 0.000 0.431 360 F N 0.513 120.349 119.950 -0.191 0.000 2.507 360 F HA 0.598 nan 4.527 nan 0.000 0.328 360 F C -0.876 174.835 175.800 -0.148 0.000 1.136 360 F CA -1.262 56.653 58.000 -0.141 0.000 0.930 360 F CB 2.906 41.836 39.000 -0.117 0.000 1.166 360 F HN 0.557 8.868 8.300 0.018 0.000 0.436 361 G N 1.470 110.261 108.800 -0.015 0.000 2.866 361 G HA2 0.462 nan 3.960 nan 0.000 0.289 361 G HA3 0.462 nan 3.960 nan 0.000 0.289 361 G C -0.518 174.373 174.900 -0.015 0.000 1.396 361 G CA -1.093 43.979 45.100 -0.045 0.000 0.848 361 G HN 0.548 8.706 8.290 -0.043 0.107 0.515 362 N N -0.045 118.643 118.700 -0.020 0.000 2.205 362 N HA -0.264 nan 4.740 nan 0.000 0.186 362 N C 1.105 176.604 175.510 -0.018 0.000 1.015 362 N CA 2.343 55.390 53.050 -0.006 0.000 0.862 362 N CB 0.060 38.548 38.487 0.002 0.000 0.986 362 N HN -0.048 8.311 8.380 -0.035 0.000 0.429 363 K N -1.009 119.365 120.400 -0.043 0.000 2.404 363 K HA 0.046 nan 4.320 nan 0.000 0.194 363 K C -0.358 176.202 176.600 -0.066 0.000 1.023 363 K CA 0.050 56.301 56.287 -0.060 0.000 1.094 363 K CB 0.437 32.880 32.500 -0.094 0.000 0.841 363 K HN -0.341 7.861 8.250 -0.052 0.017 0.523 364 G N -1.384 107.380 108.800 -0.058 0.000 2.334 364 G HA2 -0.169 nan 3.960 nan 0.000 0.315 364 G HA3 -0.169 nan 3.960 nan 0.000 0.315 364 G C -3.210 171.603 174.900 -0.146 0.000 1.284 364 G CA -0.685 44.373 45.100 -0.071 0.000 0.985 364 G HN -0.456 7.624 8.290 -0.045 0.183 0.504 365 N N -1.639 116.924 118.700 -0.227 0.000 2.577 365 N HA 0.718 nan 4.740 nan 0.000 0.285 365 N C -1.348 173.946 175.510 -0.361 0.000 1.309 365 N CA -1.182 51.563 53.050 -0.509 0.000 0.798 365 N CB 3.172 41.052 38.487 -1.013 0.000 1.463 365 N HN 0.030 8.313 8.380 -0.161 0.000 0.518 366 S N -0.993 114.460 115.700 -0.412 0.000 2.823 366 S HA 0.441 nan 4.470 nan 0.000 0.316 366 S C -0.905 173.563 174.600 -0.220 0.000 1.116 366 S CA -0.791 57.306 58.200 -0.172 0.000 0.911 366 S CB 3.133 66.357 63.200 0.040 0.000 1.276 366 S HN 0.101 8.027 8.310 -0.639 0.000 0.565 367 K N -0.765 119.515 120.400 -0.200 0.000 2.149 367 K HA -0.081 nan 4.320 nan 0.000 0.245 367 K C -0.569 175.719 176.600 -0.520 0.000 1.024 367 K CA -0.059 55.996 56.287 -0.386 0.000 0.899 367 K CB 0.662 32.822 32.500 -0.566 0.000 1.038 367 K HN 0.244 8.450 8.250 -0.074 0.000 0.496 368 Q N -1.371 118.138 119.800 -0.485 0.000 2.261 368 Q HA 0.083 nan 4.340 nan 0.000 0.252 368 Q C -0.712 174.909 176.000 -0.631 0.000 0.915 368 Q CA -0.268 55.304 55.803 -0.385 0.000 0.915 368 Q CB 1.002 29.604 28.738 -0.227 0.000 1.204 368 Q HN 0.035 8.053 8.270 -0.419 0.000 0.421 369 Y N 3.195 123.290 120.300 -0.341 0.000 2.364 369 Y HA 0.123 nan 4.550 nan 0.000 0.340 369 Y C -1.038 174.702 175.900 -0.268 0.000 0.975 369 Y CA -1.331 56.499 58.100 -0.450 0.000 1.089 369 Y CB 2.842 40.611 38.460 -1.151 0.000 1.192 369 Y HN 0.922 9.052 8.280 -0.251 0.000 0.454 370 E N 5.163 125.358 120.200 -0.008 0.000 2.324 370 E HA -0.039 nan 4.350 nan 0.000 0.271 370 E C -0.647 176.009 176.600 0.093 0.000 1.028 370 E CA 0.138 56.569 56.400 0.053 0.000 0.890 370 E CB 0.111 29.859 29.700 0.081 0.000 1.004 370 E HN 0.380 8.741 8.360 0.001 0.000 0.431 371 I N 6.803 127.455 120.570 0.136 0.000 3.081 371 I HA 0.016 nan 4.170 nan 0.000 0.274 371 I C -0.831 175.443 176.117 0.262 0.000 1.178 371 I CA 0.475 61.901 61.300 0.210 0.000 1.460 371 I CB 1.135 39.287 38.000 0.252 0.000 1.137 371 I HN 0.957 9.134 8.210 0.125 0.108 0.443 372 F N -1.687 118.259 119.950 -0.006 0.000 2.725 372 F HA 0.164 nan 4.527 nan 0.000 0.309 372 F C -2.999 172.697 175.800 -0.173 0.000 1.132 372 F CA -0.305 57.626 58.000 -0.115 0.000 0.957 372 F CB 3.433 42.297 39.000 -0.228 0.000 1.286 372 F HN -0.747 7.656 8.300 0.172 0.000 0.440 373 K N 3.326 122.926 120.400 -1.334 0.000 2.535 373 K HA 0.776 nan 4.320 nan 0.000 0.251 373 K C -2.305 173.469 176.600 -1.377 0.000 0.942 373 K CA -1.206 54.362 56.287 -1.199 0.000 0.798 373 K CB 2.847 34.758 32.500 -0.982 0.000 1.267 373 K HN 0.186 7.424 8.250 -1.687 0.000 0.434 374 G N 3.160 111.381 108.800 -0.965 0.000 2.347 374 G HA2 -0.184 nan 3.960 nan 0.000 0.224 374 G HA3 -0.184 nan 3.960 nan 0.000 0.224 374 G C -2.665 172.087 174.900 -0.246 0.000 1.318 374 G CA 0.479 45.252 45.100 -0.545 0.000 1.016 374 G HN 0.100 7.915 8.290 -0.792 0.000 0.469 375 T N 3.884 118.421 114.554 -0.028 0.000 2.769 375 T HA 0.082 nan 4.350 nan 0.000 0.293 375 T C 0.009 174.818 174.700 0.181 0.000 0.931 375 T CA 1.876 64.011 62.100 0.059 0.000 1.139 375 T CB -0.330 68.584 68.868 0.076 0.000 0.881 375 T HN -0.106 8.134 8.240 -0.000 0.000 0.532 376 L N 8.798 130.070 121.223 0.083 0.000 2.353 376 L HA 0.255 nan 4.340 nan 0.000 0.269 376 L C -1.220 175.665 176.870 0.025 0.000 1.085 376 L CA -1.040 53.858 54.840 0.097 0.000 0.938 376 L CB -0.512 41.539 42.059 -0.014 0.000 1.312 376 L HN 0.956 9.080 8.230 0.003 0.108 0.429 377 K N 4.781 125.220 120.400 0.065 0.000 2.172 377 K HA 0.314 nan 4.320 nan 0.000 0.276 377 K C -2.327 174.262 176.600 -0.018 0.000 1.013 377 K CA -3.358 52.935 56.287 0.010 0.000 0.913 377 K CB 1.861 34.372 32.500 0.017 0.000 1.055 377 K HN -0.329 8.004 8.250 0.138 0.000 0.461 378 P HA -0.249 nan 4.420 nan 0.000 0.264 378 P C -1.203 176.059 177.300 -0.064 0.000 1.183 378 P CA 1.493 64.558 63.100 -0.058 0.000 0.763 378 P CB -0.003 31.665 31.700 -0.054 0.000 0.807 379 D N -1.164 119.190 120.400 -0.076 0.000 2.946 379 D HA -0.431 nan 4.640 nan 0.000 0.202 379 D C -0.785 175.447 176.300 -0.112 0.000 1.068 379 D CA 1.499 55.450 54.000 -0.083 0.000 1.011 379 D CB -0.198 40.562 40.800 -0.066 0.000 1.105 379 D HN 0.363 8.557 8.370 -0.079 0.129 0.425 380 S N -0.258 115.359 115.700 -0.138 0.000 2.586 380 S HA 0.131 nan 4.470 nan 0.000 0.274 380 S C -0.648 173.745 174.600 -0.344 0.000 1.281 380 S CA 0.472 58.525 58.200 -0.244 0.000 1.035 380 S CB 1.979 65.029 63.200 -0.250 0.000 0.962 380 S HN -0.655 7.498 8.310 -0.108 0.093 0.512 381 T N 3.146 117.427 114.554 -0.455 0.000 2.829 381 T HA 0.486 nan 4.350 nan 0.000 0.280 381 T C -0.588 173.720 174.700 -0.653 0.000 0.999 381 T CA -0.382 61.484 62.100 -0.390 0.000 0.983 381 T CB 1.488 70.232 68.868 -0.207 0.000 0.968 381 T HN 0.253 8.231 8.240 -0.437 0.000 0.446 382 H N 4.083 123.057 119.070 -0.161 0.000 2.637 382 H HA 0.416 nan 4.556 nan 0.000 0.363 382 H C -1.392 173.897 175.328 -0.065 0.000 1.131 382 H CA -1.272 54.649 56.048 -0.213 0.000 1.183 382 H CB 3.676 33.184 29.762 -0.425 0.000 1.637 382 H HN 0.780 8.983 8.280 -0.128 0.000 0.531 383 S N 1.531 117.268 115.700 0.062 0.000 2.638 383 S HA 0.619 nan 4.470 nan 0.000 0.302 383 S C -1.701 172.939 174.600 0.067 0.000 1.096 383 S CA -0.652 57.583 58.200 0.058 0.000 0.953 383 S CB 2.750 65.956 63.200 0.010 0.000 1.107 383 S HN 0.177 8.515 8.310 0.046 0.000 0.503 384 N N 0.231 118.959 118.700 0.047 0.000 2.815 384 N HA 0.237 nan 4.740 nan 0.000 0.253 384 N C -2.492 172.979 175.510 -0.064 0.000 1.202 384 N CA 0.023 53.092 53.050 0.031 0.000 0.925 384 N CB 3.075 41.649 38.487 0.145 0.000 1.622 384 N HN -0.164 8.237 8.380 0.035 0.000 0.497 385 E N 1.209 121.291 120.200 -0.197 0.000 2.207 385 E HA 0.804 nan 4.350 nan 0.000 0.270 385 E C -1.098 175.357 176.600 -0.243 0.000 0.927 385 E CA -1.043 55.081 56.400 -0.460 0.000 0.799 385 E CB 2.719 32.006 29.700 -0.689 0.000 1.172 385 E HN -0.228 8.180 8.360 -0.171 -0.151 0.404 386 F N -2.811 116.978 119.950 -0.268 0.000 2.668 386 F HA 0.296 nan 4.527 nan 0.000 0.309 386 F C -2.668 173.007 175.800 -0.209 0.000 1.117 386 F CA -2.010 55.847 58.000 -0.238 0.000 0.951 386 F CB 2.302 41.118 39.000 -0.307 0.000 1.323 386 F HN 0.263 8.032 8.300 -0.886 0.000 0.451 387 D N 0.957 121.427 120.400 0.116 0.000 2.443 387 D HA 0.163 nan 4.640 nan 0.000 0.221 387 D C -1.232 175.159 176.300 0.151 0.000 1.097 387 D CA -0.225 53.846 54.000 0.117 0.000 0.865 387 D CB 0.253 41.130 40.800 0.129 0.000 1.034 387 D HN 0.028 8.484 8.370 0.144 0.000 0.511 388 S N 2.184 118.034 115.700 0.251 0.000 2.565 388 S HA 0.023 nan 4.470 nan 0.000 0.276 388 S C 1.045 175.904 174.600 0.432 0.000 1.326 388 S CA -0.365 58.049 58.200 0.357 0.000 1.045 388 S CB 1.638 65.167 63.200 0.549 0.000 0.918 388 S HN 0.331 8.732 8.310 0.296 0.086 0.505 389 D N 5.769 126.415 120.400 0.409 0.000 2.349 389 D HA -0.014 nan 4.640 nan 0.000 0.224 389 D C -0.392 176.175 176.300 0.445 0.000 1.029 389 D CA 0.570 54.786 54.000 0.360 0.000 0.879 389 D CB 0.110 41.050 40.800 0.233 0.000 0.906 389 D HN -0.128 8.510 8.370 0.447 0.000 0.528 390 V N -5.608 114.538 119.914 0.386 0.000 2.962 390 V HA 0.284 nan 4.120 nan 0.000 0.313 390 V C -1.699 174.375 176.094 -0.032 0.000 1.099 390 V CA -2.427 59.943 62.300 0.117 0.000 0.971 390 V CB 3.178 35.011 31.823 0.016 0.000 1.028 390 V HN -0.846 7.523 8.190 0.404 0.063 0.430 391 D N 1.443 121.501 120.400 -0.570 0.000 2.274 391 D HA 0.167 nan 4.640 nan 0.000 0.239 391 D C 0.550 176.710 176.300 -0.235 0.000 1.104 391 D CA -0.165 53.490 54.000 -0.576 0.000 0.840 391 D CB 0.671 40.767 40.800 -1.172 0.000 1.100 391 D HN -0.158 7.779 8.370 -0.722 0.000 0.477 392 V N 0.966 120.850 119.914 -0.049 0.000 3.650 392 V HA 0.511 nan 4.120 nan 0.000 0.271 392 V C 0.451 176.499 176.094 -0.076 0.000 1.281 392 V CA -1.125 61.117 62.300 -0.097 0.000 1.120 392 V CB -0.178 31.550 31.823 -0.159 0.000 0.856 392 V HN 0.324 8.603 8.190 0.149 0.000 0.443 393 G N 1.170 109.948 108.800 -0.037 0.000 2.498 393 G HA2 -0.452 nan 3.960 nan 0.000 0.245 393 G HA3 -0.452 nan 3.960 nan 0.000 0.245 393 G C -1.582 173.305 174.900 -0.022 0.000 1.204 393 G CA -0.356 44.732 45.100 -0.020 0.000 0.933 393 G HN -0.417 8.086 8.290 0.001 -0.212 0.574 394 D N 5.257 125.636 120.400 -0.034 0.000 2.343 394 D HA 0.015 nan 4.640 nan 0.000 0.255 394 D C -0.088 176.044 176.300 -0.280 0.000 1.187 394 D CA 0.727 54.657 54.000 -0.118 0.000 0.875 394 D CB 0.379 41.208 40.800 0.049 0.000 1.136 394 D HN -0.111 8.520 8.370 -0.010 -0.268 0.469 395 L N 3.559 124.355 121.223 -0.711 0.000 2.410 395 L HA -0.092 nan 4.340 nan 0.000 0.273 395 L C 0.163 176.996 176.870 -0.062 0.000 1.152 395 L CA 1.372 55.959 54.840 -0.421 0.000 0.855 395 L CB 0.142 41.893 42.059 -0.514 0.000 1.129 395 L HN 0.239 7.576 8.230 -1.488 0.000 0.463 396 Q N 5.191 125.024 119.800 0.054 0.000 2.245 396 Q HA 0.149 nan 4.340 nan 0.000 0.236 396 Q C -0.906 175.221 176.000 0.213 0.000 0.842 396 Q CA 0.380 56.284 55.803 0.169 0.000 0.945 396 Q CB 2.208 31.001 28.738 0.093 0.000 1.122 396 Q HN 0.796 8.956 8.270 -0.001 0.110 0.506 397 M N -1.737 117.870 119.600 0.011 0.000 2.523 397 M HA 0.223 nan 4.480 nan 0.000 0.287 397 M C -2.983 173.126 176.300 -0.318 0.000 1.160 397 M CA 0.611 55.816 55.300 -0.157 0.000 0.902 397 M CB 4.497 37.030 32.600 -0.112 0.000 1.752 397 M HN -0.544 7.715 8.290 -0.052 0.000 0.504 398 V N 1.994 121.654 119.914 -0.423 0.000 2.623 398 V HA 0.573 nan 4.120 nan 0.000 0.304 398 V C -1.849 174.232 176.094 -0.020 0.000 1.054 398 V CA -0.942 61.221 62.300 -0.229 0.000 0.882 398 V CB 2.767 34.316 31.823 -0.458 0.000 1.002 398 V HN 0.223 8.192 8.190 -0.368 0.000 0.424 399 K N 5.093 125.569 120.400 0.126 0.000 2.339 399 K HA 0.710 nan 4.320 nan 0.000 0.264 399 K C -1.413 175.310 176.600 0.206 0.000 0.986 399 K CA -1.553 54.818 56.287 0.139 0.000 0.866 399 K CB 1.994 34.567 32.500 0.121 0.000 1.103 399 K HN -0.040 8.347 8.250 0.230 0.000 0.441 400 F N 6.353 126.354 119.950 0.085 0.000 2.371 400 F HA 0.679 nan 4.527 nan 0.000 0.329 400 F C -2.141 173.746 175.800 0.146 0.000 1.107 400 F CA -0.636 57.438 58.000 0.123 0.000 1.137 400 F CB 2.900 41.980 39.000 0.134 0.000 1.214 400 F HN 0.673 9.191 8.300 0.363 0.000 0.536 401 I N 1.912 122.028 120.570 -0.755 0.000 2.752 401 I HA 0.427 nan 4.170 nan 0.000 0.290 401 I C -3.256 172.596 176.117 -0.443 0.000 1.507 401 I CA -0.461 60.573 61.300 -0.444 0.000 1.038 401 I CB 3.551 41.459 38.000 -0.154 0.000 1.390 401 I HN 0.371 7.925 8.210 -1.094 0.000 0.435 402 W N 3.954 125.051 121.300 -0.339 0.000 3.040 402 W HA 0.997 nan 4.660 nan 0.000 0.344 402 W C -2.886 173.696 176.519 0.106 0.000 1.201 402 W CA -1.982 55.280 57.345 -0.139 0.000 1.119 402 W CB 3.342 32.738 29.460 -0.107 0.000 1.478 402 W HN 0.323 8.389 8.180 -0.190 0.000 0.586 403 Y N -6.707 113.658 120.300 0.109 0.000 2.851 403 Y HA 0.340 nan 4.550 nan 0.000 0.359 403 Y C -3.468 172.550 175.900 0.197 0.000 1.231 403 Y CA -0.217 57.800 58.100 -0.139 0.000 1.106 403 Y CB 0.829 39.157 38.460 -0.220 0.000 1.409 403 Y HN -0.247 8.175 8.280 0.236 0.000 0.454 407 V N -1.704 118.254 119.914 0.074 0.000 2.334 407 V HA 0.274 nan 4.120 nan 0.000 0.281 407 V C -0.542 175.598 176.094 0.077 0.000 1.016 407 V CA -1.519 60.817 62.300 0.061 0.000 0.832 407 V CB -0.248 31.604 31.823 0.049 0.000 0.999 407 V HN -0.600 7.768 8.190 0.085 -0.128 0.439 408 I N 1.310 121.916 120.570 0.060 0.000 2.396 408 I HA 0.198 nan 4.170 nan 0.000 0.289 408 I C -0.528 175.629 176.117 0.067 0.000 1.056 408 I CA 0.187 61.525 61.300 0.063 0.000 1.365 408 I CB 0.202 38.220 38.000 0.030 0.000 1.407 408 I HN 0.134 8.371 8.210 0.045 0.000 0.509 409 N N 9.074 127.831 118.700 0.094 0.000 2.520 409 N HA 0.202 nan 4.740 nan 0.000 0.273 409 N C -0.494 175.055 175.510 0.066 0.000 1.155 409 N CA -2.871 50.227 53.050 0.080 0.000 0.967 409 N CB 0.601 39.147 38.487 0.099 0.000 1.092 409 N HN 0.301 8.759 8.380 0.130 0.000 0.457 410 P HA 0.066 nan 4.420 nan 0.000 0.244 410 P C -1.051 176.274 177.300 0.042 0.000 1.211 410 P CA 1.264 64.387 63.100 0.039 0.000 0.760 410 P CB -0.012 31.706 31.700 0.030 0.000 0.961 411 T N -2.566 112.020 114.554 0.054 0.000 3.014 411 T HA 0.018 nan 4.350 nan 0.000 0.250 411 T C 0.017 174.757 174.700 0.067 0.000 1.060 411 T CA -0.185 61.948 62.100 0.054 0.000 1.040 411 T CB 0.356 69.256 68.868 0.054 0.000 0.971 411 T HN -0.195 7.974 8.240 0.063 0.109 0.497 412 L N -1.217 120.057 121.223 0.084 0.000 3.573 412 L HA -0.293 nan 4.340 nan 0.000 0.578 412 L C -2.474 174.481 176.870 0.142 0.000 1.299 412 L CA -0.397 54.503 54.840 0.101 0.000 0.914 412 L CB -1.562 40.538 42.059 0.069 0.000 1.563 412 L HN -0.521 7.759 8.230 0.083 0.000 0.860 413 P HA 0.184 nan 4.420 nan 0.000 0.272 413 P C -1.508 175.991 177.300 0.331 0.000 1.240 413 P CA -0.530 62.700 63.100 0.215 0.000 0.791 413 P CB 0.810 32.631 31.700 0.201 0.000 0.978 414 R N -2.221 118.424 120.500 0.242 0.000 2.502 414 R HA 0.588 nan 4.340 nan 0.000 0.300 414 R C -1.415 174.977 176.300 0.153 0.000 0.984 414 R CA -0.609 55.670 56.100 0.298 0.000 0.882 414 R CB 2.603 33.020 30.300 0.194 0.000 1.180 414 R HN 0.118 8.472 8.270 0.140 0.000 0.444 415 V N 3.886 123.917 119.914 0.194 0.000 2.628 415 V HA 0.807 nan 4.120 nan 0.000 0.306 415 V C -0.941 175.203 176.094 0.083 0.000 1.045 415 V CA -2.122 60.104 62.300 -0.125 0.000 0.905 415 V CB 2.720 34.029 31.823 -0.855 0.000 0.997 415 V HN 0.408 8.981 8.190 0.639 0.000 0.436 416 G N 3.612 112.333 108.800 -0.132 0.000 2.818 416 G HA2 0.652 nan 3.960 nan 0.000 0.286 416 G HA3 0.652 nan 3.960 nan 0.000 0.286 416 G C -2.962 171.535 174.900 -0.672 0.000 1.364 416 G CA -1.482 43.437 45.100 -0.301 0.000 0.938 416 G HN 0.830 8.911 8.290 -0.167 0.109 0.490 417 A N -2.087 120.308 122.820 -0.707 0.000 2.340 417 A HA 0.506 nan 4.320 nan 0.000 0.297 417 A C -0.522 176.918 177.584 -0.239 0.000 1.195 417 A CA -1.276 50.416 52.037 -0.576 0.000 0.769 417 A CB 1.027 19.609 19.000 -0.697 0.000 1.163 417 A HN 0.192 8.039 8.150 -0.505 0.000 0.472 418 S N 2.209 117.817 115.700 -0.153 0.000 2.436 418 S HA -0.140 nan 4.470 nan 0.000 0.228 418 S C 0.351 174.935 174.600 -0.028 0.000 1.014 418 S CA 2.128 60.283 58.200 -0.075 0.000 0.950 418 S CB 1.109 64.271 63.200 -0.064 0.000 0.784 418 S HN 0.123 8.334 8.310 -0.164 0.000 0.504 419 K N 0.227 120.615 120.400 -0.019 0.000 2.557 419 K HA 0.401 nan 4.320 nan 0.000 0.257 419 K C -3.145 173.501 176.600 0.076 0.000 0.933 419 K CA 0.349 56.661 56.287 0.042 0.000 0.820 419 K CB 3.551 36.066 32.500 0.024 0.000 1.330 419 K HN -0.998 7.199 8.250 -0.052 0.022 0.432 420 I N 4.444 125.116 120.570 0.169 0.000 2.499 420 I HA 0.591 nan 4.170 nan 0.000 0.288 420 I C -1.669 174.634 176.117 0.310 0.000 1.048 420 I CA -1.063 60.373 61.300 0.227 0.000 1.062 420 I CB 3.881 42.035 38.000 0.257 0.000 1.238 420 I HN 0.250 8.587 8.210 0.211 0.000 0.426 421 I N 6.759 127.478 120.570 0.248 0.000 2.382 421 I HA 0.431 nan 4.170 nan 0.000 0.286 421 I C -1.224 175.065 176.117 0.286 0.000 1.002 421 I CA -1.120 60.336 61.300 0.260 0.000 1.135 421 I CB 1.590 39.682 38.000 0.153 0.000 1.288 421 I HN 0.139 8.467 8.210 0.196 0.000 0.448 422 V N 8.236 128.391 119.914 0.402 0.000 2.439 422 V HA 0.363 nan 4.120 nan 0.000 0.282 422 V C -1.697 174.650 176.094 0.422 0.000 1.039 422 V CA -1.302 61.226 62.300 0.381 0.000 0.913 422 V CB 0.487 32.557 31.823 0.413 0.000 0.983 422 V HN 0.422 8.928 8.190 0.526 0.000 0.460 423 E N 6.875 127.292 120.200 0.362 0.000 2.191 423 E HA 0.642 nan 4.350 nan 0.000 0.263 423 E C -0.970 175.933 176.600 0.505 0.000 0.881 423 E CA -1.895 54.736 56.400 0.385 0.000 0.757 423 E CB 4.120 34.023 29.700 0.337 0.000 1.147 423 E HN 0.620 9.153 8.360 0.289 0.000 0.414 424 T N 2.141 116.969 114.554 0.457 0.000 2.828 424 T HA 0.379 nan 4.350 nan 0.000 0.290 424 T C 1.712 176.569 174.700 0.262 0.000 1.019 424 T CA -1.499 60.820 62.100 0.365 0.000 1.031 424 T CB 0.932 70.006 68.868 0.344 0.000 1.001 424 T HN 0.806 9.189 8.240 0.410 0.104 0.531 425 N N 0.393 119.200 118.700 0.179 0.000 2.272 425 N HA -0.411 nan 4.740 nan 0.000 0.185 425 N C 1.284 176.709 175.510 -0.141 0.000 1.014 425 N CA 2.776 55.809 53.050 -0.028 0.000 0.870 425 N CB -0.326 38.304 38.487 0.239 0.000 0.975 425 N HN 0.517 8.961 8.380 0.106 0.000 0.433 426 V N -7.952 111.943 119.914 -0.032 0.000 3.646 426 V HA 0.249 nan 4.120 nan 0.000 0.277 426 V C 0.497 176.569 176.094 -0.036 0.000 1.274 426 V CA -0.696 61.585 62.300 -0.030 0.000 1.164 426 V CB -2.143 29.688 31.823 0.013 0.000 0.926 426 V HN -0.480 7.702 8.190 0.031 0.027 0.442 427 G N -0.029 108.739 108.800 -0.053 0.000 2.132 427 G HA2 -0.416 nan 3.960 nan 0.000 0.234 427 G HA3 -0.416 nan 3.960 nan 0.000 0.234 427 G C -1.173 173.728 174.900 0.002 0.000 0.989 427 G CA -0.069 45.014 45.100 -0.028 0.000 0.676 427 G HN 0.092 8.145 8.290 -0.082 0.188 0.522 428 K N 1.095 121.514 120.400 0.032 0.000 2.234 428 K HA 0.077 nan 4.320 nan 0.000 0.282 428 K C -1.129 175.419 176.600 -0.086 0.000 1.039 428 K CA -0.531 55.719 56.287 -0.061 0.000 0.928 428 K CB 1.017 33.516 32.500 -0.002 0.000 1.039 428 K HN -0.661 7.637 8.250 0.080 0.000 0.470 429 Q N 2.546 122.186 119.800 -0.267 0.000 2.312 429 Q HA 0.623 nan 4.340 nan 0.000 0.263 429 Q C -0.642 175.094 176.000 -0.440 0.000 0.995 429 Q CA -0.822 54.881 55.803 -0.168 0.000 0.853 429 Q CB 2.949 31.651 28.738 -0.059 0.000 1.300 429 Q HN 0.242 8.324 8.270 -0.314 0.000 0.448 430 F N 2.795 122.816 119.950 0.118 0.000 2.551 430 F HA 0.276 nan 4.527 nan 0.000 0.316 430 F C -1.318 174.434 175.800 -0.079 0.000 1.089 430 F CA -1.436 56.575 58.000 0.019 0.000 0.915 430 F CB 4.292 43.420 39.000 0.213 0.000 1.186 430 F HN 0.630 9.161 8.300 0.385 0.000 0.456 431 N N 0.291 118.844 118.700 -0.246 0.000 2.314 431 N HA 0.733 nan 4.740 nan 0.000 0.304 431 N C -1.513 173.583 175.510 -0.689 0.000 1.073 431 N CA -0.815 52.093 53.050 -0.238 0.000 0.822 431 N CB 1.783 40.195 38.487 -0.125 0.000 1.280 431 N HN 0.192 8.378 8.380 -0.325 0.000 0.489 432 F N 1.059 121.070 119.950 0.101 0.000 2.563 432 F HA 0.703 nan 4.527 nan 0.000 0.316 432 F C -0.945 174.884 175.800 0.049 0.000 1.076 432 F CA -1.377 56.671 58.000 0.081 0.000 0.921 432 F CB 4.369 43.426 39.000 0.094 0.000 1.209 432 F HN 0.580 9.006 8.300 0.210 0.000 0.462 433 c N 2.088 120.790 118.600 0.170 0.000 2.802 433 c HA 0.775 nan 4.570 nan 0.000 0.307 433 c C -2.148 171.991 174.090 0.082 0.000 1.222 433 c CA -1.273 55.110 56.329 0.089 0.000 1.580 433 c CB 3.746 46.278 42.510 0.037 0.000 2.119 433 c HN 0.662 9.006 8.230 0.191 0.000 0.479 434 S N 0.637 116.360 115.700 0.038 0.000 2.535 434 S HA 0.543 nan 4.470 nan 0.000 0.272 434 S C -2.452 172.145 174.600 -0.004 0.000 1.149 434 S CA -1.831 56.382 58.200 0.022 0.000 0.888 434 S CB 1.614 64.826 63.200 0.019 0.000 1.110 434 S HN -0.126 8.099 8.310 0.018 0.096 0.463 435 P HA 0.274 nan 4.420 nan 0.000 0.281 435 P C -0.580 176.719 177.300 -0.002 0.000 1.291 435 P CA -0.049 63.047 63.100 -0.005 0.000 0.906 435 P CB 0.843 32.544 31.700 0.002 0.000 1.388 436 E N 0.425 120.630 120.200 0.008 0.000 2.342 436 E HA 0.077 nan 4.350 nan 0.000 0.257 436 E C -0.761 175.855 176.600 0.026 0.000 1.150 436 E CA 0.075 56.490 56.400 0.024 0.000 0.926 436 E CB 1.779 31.502 29.700 0.038 0.000 1.074 436 E HN -0.440 7.868 8.360 0.010 0.058 0.449 437 T N -5.870 108.721 114.554 0.061 0.000 2.896 437 T HA 0.575 nan 4.350 nan 0.000 0.297 437 T C -1.605 173.196 174.700 0.168 0.000 1.108 437 T CA -1.880 60.281 62.100 0.100 0.000 1.004 437 T CB 2.751 71.672 68.868 0.088 0.000 1.159 437 T HN -0.244 8.034 8.240 0.064 0.000 0.499 438 V N -4.789 115.299 119.914 0.290 0.000 3.007 438 V HA 0.579 nan 4.120 nan 0.000 0.311 438 V C -0.979 175.356 176.094 0.402 0.000 1.120 438 V CA -2.667 59.814 62.300 0.301 0.000 0.980 438 V CB 3.650 35.643 31.823 0.283 0.000 1.033 438 V HN 0.302 8.604 8.190 0.367 0.108 0.429 439 R N 0.786 121.407 120.500 0.201 0.000 2.707 439 R HA 0.127 nan 4.340 nan 0.000 0.270 439 R C -0.204 175.979 176.300 -0.195 0.000 1.083 439 R CA -0.625 55.538 56.100 0.105 0.000 1.182 439 R CB 0.495 30.806 30.300 0.018 0.000 1.084 439 R HN 0.362 8.714 8.270 0.137 0.000 0.528 440 E N 0.249 120.064 120.200 -0.642 0.000 2.398 440 E HA -0.177 nan 4.350 nan 0.000 0.263 440 E C -0.199 176.065 176.600 -0.559 0.000 1.046 440 E CA 0.439 56.091 56.400 -1.247 0.000 0.908 440 E CB -0.047 28.837 29.700 -1.360 0.000 0.963 440 E HN 0.021 8.120 8.360 -0.436 0.000 0.431 441 E N -3.606 116.312 120.200 -0.471 0.000 2.957 441 E HA -0.549 nan 4.350 nan 0.000 0.287 441 E C -1.479 175.018 176.600 -0.172 0.000 0.976 441 E CA 1.019 57.262 56.400 -0.260 0.000 0.907 441 E CB -1.567 27.997 29.700 -0.228 0.000 1.456 441 E HN 0.236 8.236 8.360 -0.600 0.000 0.421 442 V N -1.172 118.658 119.914 -0.142 0.000 2.531 442 V HA 0.111 nan 4.120 nan 0.000 0.301 442 V C -1.020 175.074 176.094 -0.001 0.000 1.034 442 V CA -1.363 60.905 62.300 -0.054 0.000 0.865 442 V CB 2.075 33.888 31.823 -0.016 0.000 0.995 442 V HN -0.590 7.454 8.190 -0.191 0.032 0.424 443 L N 4.123 125.350 121.223 0.007 0.000 2.410 443 L HA 0.090 nan 4.340 nan 0.000 0.273 443 L C -0.386 176.543 176.870 0.098 0.000 1.152 443 L CA -0.712 54.156 54.840 0.045 0.000 0.855 443 L CB -0.156 41.913 42.059 0.017 0.000 1.129 443 L HN 0.106 8.328 8.230 -0.013 0.000 0.463 444 L N 6.923 128.263 121.223 0.194 0.000 2.265 444 L HA 0.318 nan 4.340 nan 0.000 0.289 444 L C -1.434 175.525 176.870 0.148 0.000 1.033 444 L CA -0.904 54.062 54.840 0.210 0.000 0.814 444 L CB 1.620 43.900 42.059 0.369 0.000 1.203 444 L HN 0.916 9.183 8.230 0.243 0.109 0.423 445 T N 7.988 122.583 114.554 0.068 0.000 2.743 445 T HA 0.304 nan 4.350 nan 0.000 0.293 445 T C -0.751 173.976 174.700 0.046 0.000 0.945 445 T CA 0.373 62.483 62.100 0.016 0.000 1.030 445 T CB 0.146 68.984 68.868 -0.050 0.000 0.912 445 T HN 0.406 8.679 8.240 0.056 0.000 0.483 446 L N 7.559 128.819 121.223 0.062 0.000 2.322 446 L HA 0.633 nan 4.340 nan 0.000 0.279 446 L C -0.652 176.337 176.870 0.198 0.000 1.036 446 L CA -0.809 54.109 54.840 0.129 0.000 0.807 446 L CB 1.758 43.923 42.059 0.177 0.000 1.226 446 L HN 0.718 8.969 8.230 0.035 0.000 0.433 447 T N -0.342 114.359 114.554 0.245 0.000 2.952 447 T HA 0.621 nan 4.350 nan 0.000 0.286 447 T C -2.473 172.423 174.700 0.326 0.000 1.024 447 T CA -3.443 58.822 62.100 0.275 0.000 1.029 447 T CB 0.382 69.327 68.868 0.129 0.000 1.094 447 T HN 0.147 8.500 8.240 0.188 0.000 0.515 448 P HA 0.028 nan 4.420 nan 0.000 0.264 448 P C -1.305 175.923 177.300 -0.120 0.000 1.193 448 P CA 0.392 63.419 63.100 -0.122 0.000 0.763 448 P CB -0.278 31.419 31.700 -0.005 0.000 0.810 449 c N 0.000 118.465 118.600 -0.225 0.000 2.653 449 c HA 0.000 nan 4.570 nan 0.000 0.325 449 c CA 0.000 56.258 56.329 -0.118 0.000 1.963 449 c CB 0.000 42.474 42.510 -0.060 0.000 2.134 449 c HN 0.000 7.875 8.230 -0.428 0.099 0.568