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 1v0z_1_D DATA FIRST_RESID 88 DATA SEQUENCE RTFLNLTKPL cEVNSWHILS KDNAIRIGED AHILVTREPY LScDPQGcRM DATA SEQUENCE FALSQGTTLR GRHANGTIHD RSPFRALISW EMGQAPSPYN TRVEcIGWSS DATA SEQUENCE TScHDGMSRM SIcMSGPNNN ASAVVWYGGR PITEIPSWAG NILRTQESEc DATA SEQUENCE VcHKGVcPVV MTDGPANNRA ATKIIYFKEG KIQKIEELAG NAQHIEEcSc DATA SEQUENCE YGAGGVIKcI cRDNWKGANR PVITIDPEMM THTSKYLcSK VLTDTSRPND DATA SEQUENCE PTNGNcDAPI TGGSPDPGVK GFAFLDGENS WLGRTISKDS RSGYEMLKVP DATA SEQUENCE NAETDIQSGP ISNQVIVNNQ NWSGYSGAFI DYWANKEcFN PcFYVELIRG DATA SEQUENCE RPKESSVLWT SNSIVALcGS KKRLGSWSWH DGAEIIYFE 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 88 R HA 0.000 nan 4.340 nan 0.000 0.208 88 R C 0.000 176.297 176.300 -0.006 0.000 0.893 88 R CA 0.000 56.111 56.100 0.018 0.000 0.921 88 R CB 0.000 30.303 30.300 0.006 0.000 0.687 89 T N -1.659 112.920 114.554 0.040 0.000 2.864 89 T HA 0.580 4.930 4.350 -0.000 0.000 0.299 89 T C -0.240 174.519 174.700 0.099 0.000 1.166 89 T CA -0.804 61.298 62.100 0.003 0.000 1.007 89 T CB 1.132 70.044 68.868 0.074 0.000 1.219 89 T HN 0.295 nan 8.240 nan 0.000 0.506 90 F N 1.135 121.170 119.950 0.142 0.000 2.572 90 F HA 0.290 4.817 4.527 -0.000 0.000 0.370 90 F C 0.940 176.837 175.800 0.162 0.000 1.103 90 F CA -1.075 57.017 58.000 0.153 0.000 1.286 90 F CB 0.559 39.606 39.000 0.078 0.000 1.105 90 F HN 0.457 nan 8.300 nan 0.000 0.583 91 L N 5.649 127.144 121.223 0.455 0.000 2.513 91 L HA 0.114 4.454 4.340 -0.000 0.000 0.272 91 L C -0.608 176.319 176.870 0.094 0.000 1.187 91 L CA 0.049 55.036 54.840 0.246 0.000 0.895 91 L CB -0.139 42.011 42.059 0.151 0.000 1.147 91 L HN 0.445 nan 8.230 nan 0.000 0.483 92 N N 5.686 124.439 118.700 0.087 0.000 2.342 92 N HA 0.312 5.052 4.740 -0.000 0.000 0.293 92 N C -0.531 175.158 175.510 0.298 0.000 1.026 92 N CA -0.484 52.611 53.050 0.075 0.000 0.857 92 N CB 1.906 40.390 38.487 -0.005 0.000 1.256 92 N HN 0.625 nan 8.380 nan 0.000 0.484 93 L N 1.490 123.028 121.223 0.525 0.000 2.803 93 L HA 0.067 4.406 4.340 -0.000 0.000 0.241 93 L C 1.688 178.807 176.870 0.415 0.000 1.404 93 L CA -0.015 55.103 54.840 0.463 0.000 1.211 93 L CB -1.101 41.088 42.059 0.217 0.000 1.585 93 L HN 0.643 nan 8.230 nan 0.000 0.430 94 T N -3.768 110.969 114.554 0.305 0.000 3.055 94 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 94 T C 0.898 175.563 174.700 -0.059 0.000 1.111 94 T CA 0.352 62.519 62.100 0.113 0.000 1.118 94 T CB 0.077 68.995 68.868 0.083 0.000 0.909 94 T HN 0.292 nan 8.240 nan 0.000 0.501 95 K N 2.387 122.583 120.400 -0.339 0.000 2.098 95 K HA 0.465 4.785 4.320 -0.000 0.000 0.258 95 K C -2.643 173.751 176.600 -0.344 0.000 0.973 95 K CA -2.548 53.385 56.287 -0.591 0.000 0.898 95 K CB 1.176 32.912 32.500 -1.273 0.000 1.057 95 K HN 0.120 nan 8.250 nan 0.000 0.447 96 P HA 0.144 nan 4.420 nan 0.000 0.278 96 P C -0.411 176.899 177.300 0.018 0.000 1.266 96 P CA -0.493 62.592 63.100 -0.025 0.000 0.807 96 P CB 0.693 32.382 31.700 -0.018 0.000 1.094 97 L N 0.477 121.777 121.223 0.128 0.000 2.456 97 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 97 L C 0.733 177.619 176.870 0.025 0.000 1.189 97 L CA -0.230 54.683 54.840 0.121 0.000 0.846 97 L CB 0.194 42.338 42.059 0.143 0.000 1.111 97 L HN 0.444 nan 8.230 nan 0.000 0.475 98 c N 2.225 120.812 118.600 -0.022 0.000 2.689 98 c HA 0.043 4.613 4.570 -0.000 0.000 0.409 98 c C 0.841 174.893 174.090 -0.063 0.000 1.293 98 c CA -0.626 55.668 56.329 -0.058 0.000 2.136 98 c CB 0.073 42.527 42.510 -0.093 0.000 2.719 98 c HN 0.726 nan 8.230 nan 0.000 0.644 99 E N 0.900 121.072 120.200 -0.047 0.000 2.414 99 E HA 0.305 4.655 4.350 -0.000 0.000 0.263 99 E C -1.212 175.338 176.600 -0.084 0.000 1.000 99 E CA 0.011 56.394 56.400 -0.028 0.000 0.914 99 E CB 0.532 30.224 29.700 -0.014 0.000 0.948 99 E HN 0.517 nan 8.360 nan 0.000 0.444 100 V N 5.583 125.473 119.914 -0.040 0.000 2.525 100 V HA 0.195 4.314 4.120 -0.000 0.000 0.299 100 V C 0.132 176.284 176.094 0.096 0.000 1.034 100 V CA -0.809 61.372 62.300 -0.198 0.000 0.863 100 V CB 1.560 33.008 31.823 -0.624 0.000 0.999 100 V HN 0.750 nan 8.190 nan 0.000 0.423 101 N N 1.965 120.644 118.700 -0.035 0.000 2.273 101 N HA 0.144 4.884 4.740 -0.000 0.000 0.192 101 N C 0.492 176.092 175.510 0.149 0.000 1.132 101 N CA 0.625 53.781 53.050 0.177 0.000 0.887 101 N CB 1.338 39.877 38.487 0.086 0.000 1.048 101 N HN 0.800 nan 8.380 nan 0.000 0.490 102 S N -1.181 114.369 115.700 -0.250 0.000 2.703 102 S HA 0.605 5.075 4.470 -0.000 0.000 0.273 102 S C -2.191 172.017 174.600 -0.654 0.000 1.178 102 S CA -0.921 57.120 58.200 -0.264 0.000 0.838 102 S CB 1.161 64.383 63.200 0.036 0.000 1.178 102 S HN 0.131 nan 8.310 nan 0.000 0.494 103 W N 1.173 122.430 121.300 -0.072 0.000 2.683 103 W HA 0.616 5.276 4.660 -0.000 0.000 0.329 103 W C -0.222 176.305 176.519 0.014 0.000 1.037 103 W CA -0.336 56.959 57.345 -0.084 0.000 1.232 103 W CB 1.202 30.656 29.460 -0.011 0.000 1.390 103 W HN 1.014 nan 8.180 nan 0.000 0.465 104 H N 0.521 119.671 119.070 0.133 0.000 2.502 104 H HA 0.639 5.195 4.556 -0.000 0.000 0.338 104 H C -0.514 174.824 175.328 0.016 0.000 1.155 104 H CA -1.213 54.885 56.048 0.084 0.000 1.237 104 H CB 1.225 30.996 29.762 0.015 0.000 1.534 104 H HN 0.377 nan 8.280 nan 0.000 0.523 105 I N 3.322 123.946 120.570 0.090 0.000 2.598 105 I HA -0.024 4.145 4.170 -0.000 0.000 0.284 105 I C 0.256 176.322 176.117 -0.085 0.000 1.140 105 I CA -0.022 61.146 61.300 -0.221 0.000 1.420 105 I CB 0.130 37.861 38.000 -0.449 0.000 1.387 105 I HN 0.814 nan 8.210 nan 0.000 0.553 106 L N 5.904 126.984 121.223 -0.238 0.000 2.347 106 L HA 0.421 4.761 4.340 -0.000 0.000 0.196 106 L C 0.573 177.389 176.870 -0.090 0.000 1.072 106 L CA 0.902 55.690 54.840 -0.087 0.000 0.817 106 L CB -0.026 41.981 42.059 -0.087 0.000 1.029 106 L HN 0.652 nan 8.230 nan 0.000 0.478 107 S N -1.040 114.561 115.700 -0.166 0.000 2.570 107 S HA 0.562 5.031 4.470 -0.000 0.000 0.270 107 S C -1.514 172.983 174.600 -0.172 0.000 1.149 107 S CA -0.783 57.339 58.200 -0.130 0.000 0.837 107 S CB 1.139 64.289 63.200 -0.084 0.000 1.124 107 S HN 0.158 nan 8.310 nan 0.000 0.465 108 K N 1.501 121.842 120.400 -0.097 0.000 2.565 108 K HA 0.305 4.625 4.320 -0.000 0.000 0.251 108 K C -0.937 175.679 176.600 0.026 0.000 0.956 108 K CA -0.477 55.783 56.287 -0.046 0.000 0.809 108 K CB 1.062 33.536 32.500 -0.044 0.000 1.267 108 K HN 0.680 nan 8.250 nan 0.000 0.438 109 D N 2.719 123.155 120.400 0.061 0.000 2.367 109 D HA -0.036 4.604 4.640 -0.000 0.000 0.207 109 D C -0.253 176.094 176.300 0.077 0.000 1.034 109 D CA 0.140 54.196 54.000 0.093 0.000 0.861 109 D CB 0.052 40.954 40.800 0.170 0.000 0.943 109 D HN 0.641 nan 8.370 nan 0.000 0.515 110 N N 0.378 119.126 118.700 0.080 0.000 2.721 110 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 110 N C 1.022 176.573 175.510 0.068 0.000 1.072 110 N CA 0.740 53.838 53.050 0.081 0.000 0.710 110 N CB -1.157 37.376 38.487 0.077 0.000 0.993 110 N HN 0.475 nan 8.380 nan 0.000 0.547 111 A N 0.189 123.042 122.820 0.056 0.000 1.933 111 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 111 A C 2.191 179.785 177.584 0.017 0.000 1.175 111 A CA 1.128 53.169 52.037 0.007 0.000 0.628 111 A CB -0.034 18.951 19.000 -0.025 0.000 0.814 111 A HN 0.343 nan 8.150 nan 0.000 0.444 112 I N -0.540 120.067 120.570 0.063 0.000 2.286 112 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 112 I C 2.521 178.792 176.117 0.256 0.000 1.104 112 I CA 1.153 62.520 61.300 0.112 0.000 1.397 112 I CB -1.406 36.665 38.000 0.119 0.000 1.072 112 I HN 0.345 nan 8.210 nan 0.000 0.417 113 R N 0.829 121.453 120.500 0.207 0.000 2.094 113 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 113 R C 2.367 178.741 176.300 0.122 0.000 1.137 113 R CA 1.582 57.797 56.100 0.192 0.000 0.943 113 R CB -0.381 30.004 30.300 0.141 0.000 0.850 113 R HN 0.297 nan 8.270 nan 0.000 0.433 114 I N -0.344 120.271 120.570 0.075 0.000 2.252 114 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 114 I C 2.395 178.518 176.117 0.011 0.000 1.102 114 I CA 1.349 62.664 61.300 0.025 0.000 1.385 114 I CB -0.513 37.489 38.000 0.003 0.000 1.064 114 I HN 0.329 nan 8.210 nan 0.000 0.414 115 G N 0.043 108.861 108.800 0.030 0.000 2.625 115 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.214 115 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.214 115 G C 1.514 176.468 174.900 0.089 0.000 1.132 115 G CA 0.156 45.266 45.100 0.017 0.000 0.782 115 G HN 0.306 nan 8.290 nan 0.000 0.538 116 E N 0.694 120.962 120.200 0.113 0.000 2.204 116 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 116 E C 1.529 178.044 176.600 -0.142 0.000 0.990 116 E CA 1.537 57.853 56.400 -0.140 0.000 0.821 116 E CB 0.125 29.602 29.700 -0.372 0.000 0.750 116 E HN 0.495 nan 8.360 nan 0.000 0.477 117 D N -1.341 119.010 120.400 -0.083 0.000 2.434 117 D HA 0.197 4.837 4.640 -0.000 0.000 0.288 117 D C 0.116 176.364 176.300 -0.086 0.000 1.083 117 D CA 0.591 54.538 54.000 -0.089 0.000 0.903 117 D CB 0.332 41.067 40.800 -0.109 0.000 1.476 117 D HN 0.143 nan 8.370 nan 0.000 0.502 118 A N -0.106 122.660 122.820 -0.090 0.000 2.272 118 A HA 0.391 4.710 4.320 -0.000 0.000 0.275 118 A C -0.620 176.922 177.584 -0.070 0.000 1.096 118 A CA -0.254 51.697 52.037 -0.144 0.000 0.822 118 A CB -0.063 18.874 19.000 -0.105 0.000 1.088 118 A HN 0.428 nan 8.150 nan 0.000 0.495 119 H N 0.504 119.553 119.070 -0.036 0.000 3.109 119 H HA 0.275 4.831 4.556 -0.000 0.000 0.266 119 H C -0.693 174.508 175.328 -0.211 0.000 1.334 119 H CA -0.378 55.604 56.048 -0.110 0.000 1.456 119 H CB -0.077 29.628 29.762 -0.095 0.000 1.587 119 H HN 0.243 nan 8.280 nan 0.000 0.500 120 I N 4.169 124.684 120.570 -0.091 0.000 2.406 120 I HA 0.129 4.298 4.170 -0.000 0.000 0.290 120 I C 0.269 176.252 176.117 -0.224 0.000 0.999 120 I CA -0.737 60.448 61.300 -0.192 0.000 1.124 120 I CB 1.638 39.539 38.000 -0.165 0.000 1.289 120 I HN 0.460 nan 8.210 nan 0.000 0.441 121 L N 5.406 126.459 121.223 -0.283 0.000 2.456 121 L HA 0.200 4.539 4.340 -0.000 0.000 0.272 121 L C 0.165 176.900 176.870 -0.225 0.000 1.189 121 L CA -0.444 54.245 54.840 -0.251 0.000 0.846 121 L CB 0.697 42.590 42.059 -0.278 0.000 1.111 121 L HN 0.233 nan 8.230 nan 0.000 0.475 122 V N 2.164 121.970 119.914 -0.179 0.000 2.572 122 V HA 0.200 4.320 4.120 -0.000 0.000 0.291 122 V C 0.623 176.663 176.094 -0.091 0.000 1.039 122 V CA 0.008 62.221 62.300 -0.145 0.000 1.055 122 V CB 0.778 32.541 31.823 -0.100 0.000 0.969 122 V HN 0.990 nan 8.190 nan 0.000 0.482 123 T N 3.657 118.171 114.554 -0.067 0.000 2.864 123 T HA 0.832 5.182 4.350 -0.000 0.000 0.289 123 T C -0.538 174.171 174.700 0.016 0.000 1.082 123 T CA -0.999 61.092 62.100 -0.015 0.000 1.009 123 T CB 2.697 71.561 68.868 -0.006 0.000 1.234 123 T HN 0.587 nan 8.240 nan 0.000 0.526 124 R N -0.690 119.832 120.500 0.037 0.000 2.756 124 R HA 0.410 4.750 4.340 -0.000 0.000 0.273 124 R C -1.287 175.045 176.300 0.054 0.000 1.030 124 R CA -0.737 55.376 56.100 0.022 0.000 0.887 124 R CB 1.200 31.486 30.300 -0.024 0.000 1.274 124 R HN 0.904 nan 8.270 nan 0.000 0.461 125 E N -0.026 120.193 120.200 0.031 0.000 2.271 125 E HA -0.147 4.203 4.350 -0.000 0.000 0.223 125 E C -2.517 174.221 176.600 0.230 0.000 1.223 125 E CA 0.556 57.055 56.400 0.166 0.000 0.704 125 E CB -1.094 28.730 29.700 0.206 0.000 1.194 125 E HN 0.270 nan 8.360 nan 0.000 0.375 126 P HA 0.324 nan 4.420 nan 0.000 0.278 126 P C -0.552 176.594 177.300 -0.256 0.000 1.266 126 P CA -0.186 62.886 63.100 -0.046 0.000 0.807 126 P CB 0.720 32.382 31.700 -0.062 0.000 1.094 127 Y N -2.334 117.576 120.300 -0.650 0.000 2.871 127 Y HA 0.636 5.185 4.550 -0.000 0.000 0.331 127 Y C -1.738 173.727 175.900 -0.726 0.000 1.378 127 Y CA -1.347 56.086 58.100 -1.112 0.000 1.079 127 Y CB 0.369 38.476 38.460 -0.588 0.000 1.441 127 Y HN 0.083 nan 8.280 nan 0.000 0.446 128 L N 1.420 122.309 121.223 -0.558 0.000 2.354 128 L HA 0.788 5.128 4.340 -0.000 0.000 0.264 128 L C -0.708 175.895 176.870 -0.444 0.000 1.008 128 L CA -0.929 53.503 54.840 -0.680 0.000 0.819 128 L CB 1.981 43.195 42.059 -1.409 0.000 1.339 128 L HN 0.825 nan 8.230 nan 0.000 0.420 129 S N 0.021 115.586 115.700 -0.225 0.000 2.536 129 S HA 0.645 5.115 4.470 -0.000 0.000 0.271 129 S C -0.864 173.808 174.600 0.121 0.000 1.134 129 S CA -0.359 57.822 58.200 -0.032 0.000 0.897 129 S CB 1.385 64.433 63.200 -0.255 0.000 1.094 129 S HN 0.674 nan 8.310 nan 0.000 0.473 130 c N 2.563 121.319 118.600 0.261 0.000 2.423 130 c HA 0.959 5.529 4.570 -0.000 0.000 0.378 130 c C -0.330 173.808 174.090 0.079 0.000 1.244 130 c CA -0.433 56.042 56.329 0.243 0.000 1.978 130 c CB 0.955 43.707 42.510 0.404 0.000 2.252 130 c HN 1.029 nan 8.230 nan 0.000 0.526 131 D N -1.582 118.617 120.400 -0.335 0.000 2.677 131 D HA 0.374 5.014 4.640 -0.000 0.000 0.298 131 D C -2.696 172.916 176.300 -1.147 0.000 1.250 131 D CA -1.143 52.114 54.000 -1.238 0.000 0.888 131 D CB 0.009 40.176 40.800 -1.054 0.000 1.397 131 D HN 0.070 nan 8.370 nan 0.000 0.461 132 P HA -0.113 nan 4.420 nan 0.000 0.219 132 P C 0.889 178.014 177.300 -0.291 0.000 1.146 132 P CA 1.480 64.147 63.100 -0.722 0.000 0.808 132 P CB 0.219 31.575 31.700 -0.575 0.000 0.779 133 Q N -1.490 118.129 119.800 -0.301 0.000 2.354 133 Q HA 0.304 4.644 4.340 -0.000 0.000 0.203 133 Q C 1.240 177.185 176.000 -0.091 0.000 0.933 133 Q CA 0.885 56.597 55.803 -0.152 0.000 0.901 133 Q CB -0.003 28.648 28.738 -0.145 0.000 1.007 133 Q HN 0.228 nan 8.270 nan 0.000 0.495 134 G N -1.976 106.766 108.800 -0.096 0.000 2.373 134 G HA2 0.158 4.118 3.960 -0.000 0.000 0.250 134 G HA3 0.158 4.118 3.960 -0.000 0.000 0.250 134 G C -1.455 173.437 174.900 -0.012 0.000 1.304 134 G CA -0.472 44.614 45.100 -0.023 0.000 0.948 134 G HN 0.074 nan 8.290 nan 0.000 0.474 135 c N -0.205 118.388 118.600 -0.010 0.000 2.707 135 c HA 0.960 5.529 4.570 -0.000 0.000 0.313 135 c C 0.226 174.249 174.090 -0.112 0.000 1.209 135 c CA -0.639 55.679 56.329 -0.018 0.000 1.635 135 c CB 1.546 44.071 42.510 0.025 0.000 2.206 135 c HN 0.824 nan 8.230 nan 0.000 0.485 136 R N 1.022 121.434 120.500 -0.147 0.000 2.795 136 R HA 0.668 5.008 4.340 -0.000 0.000 0.275 136 R C -1.039 174.965 176.300 -0.493 0.000 0.981 136 R CA -0.629 55.268 56.100 -0.337 0.000 0.917 136 R CB 1.682 31.756 30.300 -0.376 0.000 1.202 136 R HN 0.645 nan 8.270 nan 0.000 0.469 137 M N 1.760 120.793 119.600 -0.944 0.000 2.314 137 M HA 0.419 4.898 4.480 -0.000 0.000 0.342 137 M C -1.090 174.263 176.300 -1.579 0.000 1.171 137 M CA 0.090 54.643 55.300 -1.245 0.000 1.098 137 M CB 0.769 32.356 32.600 -1.688 0.000 1.559 137 M HN 0.331 nan 8.290 nan 0.000 0.459 138 F N 0.763 119.938 119.950 -1.291 0.000 2.588 138 F HA 0.864 5.391 4.527 -0.000 0.000 0.314 138 F C -0.125 175.243 175.800 -0.721 0.000 1.069 138 F CA -0.679 56.697 58.000 -1.040 0.000 0.931 138 F CB 2.074 40.188 39.000 -1.477 0.000 1.260 138 F HN 0.636 nan 8.300 nan 0.000 0.465 139 A N 1.353 124.124 122.820 -0.082 0.000 2.566 139 A HA 0.702 5.021 4.320 -0.000 0.000 0.290 139 A C -2.183 175.466 177.584 0.108 0.000 1.071 139 A CA -0.820 51.258 52.037 0.067 0.000 0.658 139 A CB 1.049 20.185 19.000 0.227 0.000 1.285 139 A HN 0.674 nan 8.150 nan 0.000 0.427 140 L N 2.019 123.312 121.223 0.115 0.000 2.268 140 L HA 0.409 4.749 4.340 -0.000 0.000 0.289 140 L C 0.981 177.891 176.870 0.066 0.000 1.064 140 L CA -0.300 54.599 54.840 0.099 0.000 0.824 140 L CB 1.209 43.346 42.059 0.130 0.000 1.202 140 L HN 0.752 nan 8.230 nan 0.000 0.433 141 S N 1.912 117.632 115.700 0.034 0.000 2.576 141 S HA 0.036 4.506 4.470 -0.000 0.000 0.272 141 S C 0.863 175.484 174.600 0.035 0.000 1.352 141 S CA -0.228 57.971 58.200 -0.002 0.000 1.021 141 S CB 0.764 63.940 63.200 -0.041 0.000 0.887 141 S HN 0.621 nan 8.310 nan 0.000 0.542 142 Q N 1.739 121.555 119.800 0.027 0.000 2.282 142 Q HA 0.185 4.525 4.340 -0.000 0.000 0.206 142 Q C 1.086 177.140 176.000 0.089 0.000 0.878 142 Q CA 0.590 56.440 55.803 0.079 0.000 0.944 142 Q CB 0.516 29.300 28.738 0.076 0.000 1.100 142 Q HN 1.151 nan 8.270 nan 0.000 0.509 143 G N 1.976 110.793 108.800 0.028 0.000 2.272 143 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.280 143 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.280 143 G C 0.015 174.875 174.900 -0.067 0.000 1.067 143 G CA 0.986 46.085 45.100 -0.002 0.000 0.902 143 G HN 0.340 nan 8.290 nan 0.000 0.500 144 T N -1.268 113.241 114.554 -0.074 0.000 2.827 144 T HA 0.686 5.036 4.350 -0.000 0.000 0.328 144 T C 0.354 174.989 174.700 -0.109 0.000 1.598 144 T CA 0.856 62.908 62.100 -0.080 0.000 1.043 144 T CB 1.101 69.966 68.868 -0.004 0.000 1.447 144 T HN 1.338 nan 8.240 nan 0.000 0.491 145 T N 1.681 116.166 114.554 -0.115 0.000 2.849 145 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 145 T C 1.415 176.026 174.700 -0.148 0.000 1.004 145 T CA -0.595 61.421 62.100 -0.139 0.000 1.021 145 T CB 0.888 69.682 68.868 -0.124 0.000 1.013 145 T HN 0.483 nan 8.240 nan 0.000 0.527 146 L N 0.405 121.504 121.223 -0.207 0.000 2.056 146 L HA 0.136 4.476 4.340 -0.000 0.000 0.207 146 L C 2.479 179.181 176.870 -0.280 0.000 1.078 146 L CA 1.531 56.150 54.840 -0.370 0.000 0.749 146 L CB -0.584 41.208 42.059 -0.445 0.000 0.901 146 L HN 0.517 nan 8.230 nan 0.000 0.433 147 R N 0.455 120.905 120.500 -0.084 0.000 2.299 147 R HA 0.223 4.562 4.340 -0.000 0.000 0.197 147 R C 0.774 177.084 176.300 0.017 0.000 0.971 147 R CA 0.491 56.604 56.100 0.022 0.000 1.030 147 R CB -1.111 29.222 30.300 0.056 0.000 0.932 147 R HN 0.434 nan 8.270 nan 0.000 0.477 148 G N -0.118 108.672 108.800 -0.018 0.000 2.569 148 G HA2 0.042 4.001 3.960 -0.000 0.000 0.249 148 G HA3 0.042 4.001 3.960 -0.000 0.000 0.249 148 G C 0.626 175.524 174.900 -0.004 0.000 1.216 148 G CA -0.509 44.588 45.100 -0.005 0.000 0.845 148 G HN 0.153 nan 8.290 nan 0.000 0.568 149 R N -0.630 119.834 120.500 -0.059 0.000 2.193 149 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 149 R C 1.661 177.853 176.300 -0.179 0.000 1.110 149 R CA 0.947 56.967 56.100 -0.134 0.000 0.988 149 R CB -0.080 30.090 30.300 -0.217 0.000 0.871 149 R HN 0.642 nan 8.270 nan 0.000 0.458 150 H N -0.608 118.447 119.070 -0.025 0.000 2.556 150 H HA 0.102 4.657 4.556 -0.000 0.000 0.268 150 H C 1.700 177.029 175.328 0.002 0.000 0.996 150 H CA 0.769 56.798 56.048 -0.032 0.000 1.157 150 H CB 0.250 29.963 29.762 -0.081 0.000 1.355 150 H HN 0.250 nan 8.280 nan 0.000 0.597 151 A N 1.360 124.235 122.820 0.092 0.000 2.121 151 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 151 A C 1.373 179.063 177.584 0.177 0.000 1.154 151 A CA 0.191 52.290 52.037 0.102 0.000 0.679 151 A CB -0.469 18.542 19.000 0.019 0.000 0.795 151 A HN 0.231 nan 8.150 nan 0.000 0.458 152 N N 0.262 119.040 118.700 0.130 0.000 2.438 152 N HA 0.328 5.067 4.740 -0.000 0.000 0.267 152 N C 0.908 176.471 175.510 0.088 0.000 1.222 152 N CA 1.365 54.478 53.050 0.105 0.000 0.930 152 N CB 0.163 38.679 38.487 0.049 0.000 1.083 152 N HN 0.618 nan 8.380 nan 0.000 0.476 153 G N 2.084 110.935 108.800 0.086 0.000 2.179 153 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.220 153 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.220 153 G C 0.755 175.726 174.900 0.117 0.000 0.990 153 G CA 0.487 45.632 45.100 0.075 0.000 0.646 153 G HN 0.788 nan 8.290 nan 0.000 0.517 154 T N -0.823 113.814 114.554 0.138 0.000 3.163 154 T HA 0.285 4.634 4.350 -0.000 0.000 0.260 154 T C 2.166 176.936 174.700 0.117 0.000 1.156 154 T CA 0.852 63.039 62.100 0.146 0.000 1.072 154 T CB 0.117 69.071 68.868 0.143 0.000 0.937 154 T HN 0.561 nan 8.240 nan 0.000 0.528 155 I N 0.701 121.326 120.570 0.091 0.000 2.335 155 I HA -0.136 4.033 4.170 -0.000 0.000 0.251 155 I C 1.149 177.303 176.117 0.061 0.000 1.129 155 I CA 0.782 62.111 61.300 0.047 0.000 1.402 155 I CB -0.223 37.783 38.000 0.011 0.000 1.069 155 I HN 0.338 nan 8.210 nan 0.000 0.424 156 H N 1.530 120.600 119.070 0.001 0.000 3.070 156 H HA -0.065 4.490 4.556 -0.000 0.000 0.313 156 H C 0.928 176.241 175.328 -0.024 0.000 0.997 156 H CA 0.637 56.675 56.048 -0.016 0.000 1.438 156 H CB 0.450 30.213 29.762 0.002 0.000 1.455 156 H HN 0.214 nan 8.280 nan 0.000 0.575 157 D N 4.413 124.561 120.400 -0.420 0.000 2.194 157 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 157 D C 0.110 176.226 176.300 -0.307 0.000 0.964 157 D CA 1.068 54.894 54.000 -0.291 0.000 0.846 157 D CB 0.384 41.013 40.800 -0.286 0.000 0.962 157 D HN 0.497 nan 8.370 nan 0.000 0.490 158 R N 0.045 120.215 120.500 -0.550 0.000 2.502 158 R HA 0.453 4.793 4.340 -0.000 0.000 0.300 158 R C -0.655 175.552 176.300 -0.155 0.000 0.984 158 R CA -0.350 55.444 56.100 -0.511 0.000 0.882 158 R CB 2.287 31.914 30.300 -1.121 0.000 1.180 158 R HN -0.027 nan 8.270 nan 0.000 0.444 159 S N 1.254 116.969 115.700 0.026 0.000 2.625 159 S HA 0.469 4.939 4.470 -0.000 0.000 0.271 159 S C -2.567 171.910 174.600 -0.204 0.000 1.161 159 S CA -1.240 56.897 58.200 -0.105 0.000 0.820 159 S CB 2.120 65.264 63.200 -0.093 0.000 1.137 159 S HN 0.276 nan 8.310 nan 0.000 0.470 160 P HA 0.273 nan 4.420 nan 0.000 0.245 160 P C 0.059 177.111 177.300 -0.413 0.000 1.212 160 P CA 0.419 63.225 63.100 -0.490 0.000 0.774 160 P CB -0.406 30.989 31.700 -0.508 0.000 0.999 161 F N -1.338 118.660 119.950 0.081 0.000 2.678 161 F HA 0.261 4.788 4.527 -0.000 0.000 0.305 161 F C 1.265 177.085 175.800 0.033 0.000 1.090 161 F CA -0.667 57.353 58.000 0.033 0.000 1.272 161 F CB 0.170 39.175 39.000 0.008 0.000 1.060 161 F HN -0.326 nan 8.300 nan 0.000 0.576 162 R N 1.494 122.070 120.500 0.126 0.000 2.536 162 R HA 0.815 5.155 4.340 -0.000 0.000 0.279 162 R C -0.538 175.794 176.300 0.052 0.000 1.001 162 R CA -0.512 55.654 56.100 0.109 0.000 1.027 162 R CB 1.574 31.967 30.300 0.155 0.000 1.096 162 R HN 0.128 nan 8.270 nan 0.000 0.502 163 A N 1.836 124.674 122.820 0.030 0.000 2.589 163 A HA 0.332 4.651 4.320 -0.000 0.000 0.296 163 A C -1.635 175.942 177.584 -0.012 0.000 1.062 163 A CA -0.778 51.248 52.037 -0.018 0.000 0.686 163 A CB 1.380 20.356 19.000 -0.040 0.000 1.282 163 A HN 0.548 nan 8.150 nan 0.000 0.404 164 L N 3.013 124.214 121.223 -0.037 0.000 2.361 164 L HA 0.648 4.987 4.340 -0.000 0.000 0.278 164 L C -0.210 176.634 176.870 -0.044 0.000 1.113 164 L CA 0.189 55.027 54.840 -0.003 0.000 0.849 164 L CB -0.112 41.961 42.059 0.023 0.000 1.155 164 L HN 0.549 nan 8.230 nan 0.000 0.452 165 I N 2.248 122.812 120.570 -0.009 0.000 2.603 165 I HA 0.837 5.007 4.170 -0.000 0.000 0.300 165 I C -0.259 175.801 176.117 -0.095 0.000 1.017 165 I CA -0.535 60.746 61.300 -0.030 0.000 1.098 165 I CB 2.074 40.079 38.000 0.008 0.000 1.279 165 I HN 0.662 nan 8.210 nan 0.000 0.437 166 S N 3.384 118.930 115.700 -0.257 0.000 2.599 166 S HA 0.893 5.362 4.470 -0.000 0.000 0.294 166 S C -1.233 173.271 174.600 -0.160 0.000 1.094 166 S CA -0.615 57.187 58.200 -0.663 0.000 0.931 166 S CB 1.613 63.947 63.200 -1.444 0.000 1.093 166 S HN 1.053 nan 8.310 nan 0.000 0.488 167 W N -0.346 120.644 121.300 -0.515 0.000 3.059 167 W HA 0.624 5.284 4.660 -0.000 0.000 0.329 167 W C -1.131 175.226 176.519 -0.271 0.000 1.246 167 W CA -0.863 56.290 57.345 -0.321 0.000 1.190 167 W CB 0.377 29.691 29.460 -0.245 0.000 1.423 167 W HN 0.841 nan 8.180 nan 0.000 0.571 168 E N 2.878 123.083 120.200 0.009 0.000 2.415 168 E HA 0.025 4.375 4.350 -0.000 0.000 0.263 168 E C 0.189 176.733 176.600 -0.093 0.000 0.995 168 E CA -0.397 55.962 56.400 -0.068 0.000 0.915 168 E CB 0.586 30.287 29.700 0.002 0.000 0.951 168 E HN 0.637 nan 8.360 nan 0.000 0.449 169 M N 4.974 124.465 119.600 -0.182 0.000 2.284 169 M HA 0.017 4.497 4.480 -0.000 0.000 0.351 169 M C 0.898 177.165 176.300 -0.055 0.000 1.443 169 M CA 1.804 56.990 55.300 -0.190 0.000 1.031 169 M CB -0.030 32.471 32.600 -0.165 0.000 1.893 169 M HN 0.877 nan 8.290 nan 0.000 0.456 170 G N 2.916 111.710 108.800 -0.009 0.000 2.349 170 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 170 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 170 G C -0.009 174.959 174.900 0.113 0.000 1.044 170 G CA -0.020 45.106 45.100 0.044 0.000 0.633 170 G HN 0.671 nan 8.290 nan 0.000 0.506 171 Q N 1.119 121.022 119.800 0.171 0.000 2.421 171 Q HA 0.557 4.897 4.340 -0.000 0.000 0.255 171 Q C 0.616 176.730 176.000 0.189 0.000 1.013 171 Q CA 0.246 56.147 55.803 0.163 0.000 0.895 171 Q CB 0.993 29.831 28.738 0.167 0.000 1.271 171 Q HN 0.843 nan 8.270 nan 0.000 0.460 172 A N 2.966 125.773 122.820 -0.021 0.000 2.302 172 A HA 0.460 4.780 4.320 -0.000 0.000 0.285 172 A C -2.225 175.001 177.584 -0.597 0.000 1.105 172 A CA -1.526 50.399 52.037 -0.187 0.000 0.816 172 A CB 0.132 19.056 19.000 -0.126 0.000 1.067 172 A HN 0.466 nan 8.150 nan 0.000 0.489 173 P HA 0.183 nan 4.420 nan 0.000 0.279 173 P C -0.311 176.589 177.300 -0.667 0.000 1.318 173 P CA 0.143 62.471 63.100 -1.286 0.000 0.819 173 P CB 0.772 31.427 31.700 -1.741 0.000 0.927 174 S N 3.810 119.202 115.700 -0.513 0.000 2.718 174 S HA 0.586 5.056 4.470 -0.000 0.000 0.300 174 S C -1.986 172.337 174.600 -0.461 0.000 1.117 174 S CA -1.820 56.127 58.200 -0.423 0.000 1.002 174 S CB 1.038 64.053 63.200 -0.308 0.000 1.092 174 S HN 0.067 nan 8.310 nan 0.000 0.542 175 P HA 0.041 nan 4.420 nan 0.000 0.231 175 P C 0.096 177.163 177.300 -0.389 0.000 1.158 175 P CA 1.056 63.829 63.100 -0.544 0.000 0.763 175 P CB -0.332 30.971 31.700 -0.661 0.000 0.805 176 Y N -0.803 119.443 120.300 -0.089 0.000 2.507 176 Y HA 0.138 4.688 4.550 -0.000 0.000 0.263 176 Y C 1.757 177.614 175.900 -0.072 0.000 1.093 176 Y CA -0.094 57.966 58.100 -0.066 0.000 1.285 176 Y CB -0.226 38.207 38.460 -0.046 0.000 1.115 176 Y HN 0.060 nan 8.280 nan 0.000 0.533 177 N N 0.016 118.716 118.700 -0.001 0.000 2.197 177 N HA 0.030 4.770 4.740 -0.000 0.000 0.228 177 N C -0.469 175.020 175.510 -0.035 0.000 1.212 177 N CA 0.127 53.171 53.050 -0.011 0.000 0.883 177 N CB -0.238 38.240 38.487 -0.016 0.000 1.107 177 N HN 0.067 nan 8.380 nan 0.000 0.519 178 T N -1.600 112.905 114.554 -0.083 0.000 2.824 178 T HA 0.455 4.805 4.350 -0.000 0.000 0.280 178 T C -0.227 174.433 174.700 -0.067 0.000 0.995 178 T CA -0.929 61.128 62.100 -0.072 0.000 1.009 178 T CB 2.404 71.171 68.868 -0.168 0.000 0.955 178 T HN 0.184 nan 8.240 nan 0.000 0.452 179 R N 2.212 122.670 120.500 -0.071 0.000 2.294 179 R HA 0.534 4.874 4.340 -0.000 0.000 0.319 179 R C -1.053 175.169 176.300 -0.130 0.000 0.984 179 R CA -0.694 55.344 56.100 -0.103 0.000 0.861 179 R CB 0.919 31.144 30.300 -0.125 0.000 1.104 179 R HN 0.600 nan 8.270 nan 0.000 0.451 180 V N 5.577 125.410 119.914 -0.135 0.000 2.427 180 V HA 0.040 4.160 4.120 -0.000 0.000 0.268 180 V C 0.954 176.884 176.094 -0.274 0.000 1.046 180 V CA 0.015 62.210 62.300 -0.175 0.000 0.970 180 V CB 1.248 32.979 31.823 -0.153 0.000 1.001 180 V HN 0.897 nan 8.190 nan 0.000 0.476 181 E N 2.832 122.856 120.200 -0.293 0.000 2.140 181 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 181 E C 0.486 176.591 176.600 -0.824 0.000 0.973 181 E CA 1.000 57.165 56.400 -0.392 0.000 0.829 181 E CB 0.484 30.089 29.700 -0.159 0.000 0.781 181 E HN 0.933 nan 8.360 nan 0.000 0.466 182 c N -1.233 116.972 118.600 -0.658 0.000 3.176 182 c HA 0.500 5.070 4.570 -0.000 0.000 0.343 182 c C -1.155 172.768 174.090 -0.279 0.000 1.332 182 c CA -1.366 54.532 56.329 -0.718 0.000 1.200 182 c CB 0.568 42.668 42.510 -0.683 0.000 1.440 182 c HN -0.001 nan 8.230 nan 0.000 0.458 183 I N 2.302 122.796 120.570 -0.126 0.000 2.377 183 I HA 0.840 5.010 4.170 -0.000 0.000 0.293 183 I C 0.826 176.872 176.117 -0.118 0.000 0.987 183 I CA 1.182 62.437 61.300 -0.075 0.000 1.185 183 I CB 0.607 38.600 38.000 -0.011 0.000 1.341 183 I HN 1.582 nan 8.210 nan 0.000 0.455 184 G N 6.344 115.062 108.800 -0.138 0.000 2.350 184 G HA2 0.047 4.007 3.960 -0.000 0.000 0.282 184 G HA3 0.047 4.007 3.960 -0.000 0.000 0.282 184 G C -0.978 173.841 174.900 -0.136 0.000 1.314 184 G CA -0.348 44.568 45.100 -0.306 0.000 0.915 184 G HN 0.648 nan 8.290 nan 0.000 0.499 185 W N -0.361 120.938 121.300 -0.002 0.000 2.499 185 W HA 0.645 5.305 4.660 -0.000 0.000 0.362 185 W C -0.012 176.517 176.519 0.018 0.000 0.945 185 W CA 0.163 57.507 57.345 -0.001 0.000 1.721 185 W CB 0.417 29.857 29.460 -0.032 0.000 1.156 185 W HN 0.980 nan 8.180 nan 0.000 0.547 186 S N 1.822 117.629 115.700 0.178 0.000 2.535 186 S HA 0.590 5.060 4.470 -0.000 0.000 0.272 186 S C -0.772 173.855 174.600 0.045 0.000 1.149 186 S CA 0.004 58.317 58.200 0.188 0.000 0.888 186 S CB 1.658 65.026 63.200 0.279 0.000 1.110 186 S HN 0.268 nan 8.310 nan 0.000 0.463 187 S N 2.067 117.820 115.700 0.088 0.000 2.625 187 S HA 0.878 5.347 4.470 -0.000 0.000 0.271 187 S C -0.774 173.831 174.600 0.008 0.000 1.161 187 S CA -0.444 57.796 58.200 0.067 0.000 0.820 187 S CB 1.692 64.980 63.200 0.148 0.000 1.137 187 S HN 0.946 nan 8.310 nan 0.000 0.470 188 T N -0.107 114.437 114.554 -0.017 0.000 2.792 188 T HA 0.782 5.132 4.350 -0.000 0.000 0.303 188 T C -1.639 173.033 174.700 -0.046 0.000 1.310 188 T CA -0.175 61.844 62.100 -0.135 0.000 1.007 188 T CB 1.583 70.367 68.868 -0.140 0.000 1.335 188 T HN 1.302 nan 8.240 nan 0.000 0.504 189 S N 0.046 115.683 115.700 -0.104 0.000 2.543 189 S HA 0.755 5.225 4.470 -0.000 0.000 0.274 189 S C -1.479 173.071 174.600 -0.084 0.000 1.149 189 S CA -0.327 57.819 58.200 -0.090 0.000 0.866 189 S CB 0.329 63.406 63.200 -0.206 0.000 1.111 189 S HN 1.418 nan 8.310 nan 0.000 0.457 190 c N 2.531 121.137 118.600 0.010 0.000 3.284 190 c HA 0.671 5.241 4.570 -0.000 0.000 0.338 190 c C -1.176 173.032 174.090 0.196 0.000 1.237 190 c CA -0.894 55.506 56.329 0.118 0.000 1.276 190 c CB 0.869 43.456 42.510 0.127 0.000 1.601 190 c HN 0.994 nan 8.230 nan 0.000 0.494 191 H N 1.557 120.758 119.070 0.218 0.000 2.458 191 H HA 0.365 4.921 4.556 -0.000 0.000 0.330 191 H C -0.072 175.484 175.328 0.380 0.000 1.111 191 H CA 0.494 56.668 56.048 0.210 0.000 1.245 191 H CB 2.029 31.803 29.762 0.020 0.000 1.456 191 H HN 0.960 nan 8.280 nan 0.000 0.488 192 D N 2.075 122.682 120.400 0.346 0.000 2.339 192 D HA 0.110 4.750 4.640 -0.000 0.000 0.217 192 D C 1.433 178.148 176.300 0.691 0.000 1.050 192 D CA 0.609 54.896 54.000 0.479 0.000 0.856 192 D CB 0.409 41.454 40.800 0.409 0.000 0.922 192 D HN 0.863 nan 8.370 nan 0.000 0.518 193 G N -0.178 109.131 108.800 0.847 0.000 2.259 193 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 193 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 193 G C 0.993 176.148 174.900 0.425 0.000 1.001 193 G CA 0.435 45.958 45.100 0.705 0.000 0.627 193 G HN 0.200 nan 8.290 nan 0.000 0.501 194 M N 0.086 119.868 119.600 0.303 0.000 2.738 194 M HA 0.397 4.877 4.480 -0.000 0.000 0.256 194 M C 0.949 177.209 176.300 -0.066 0.000 1.253 194 M CA 1.353 56.709 55.300 0.093 0.000 1.223 194 M CB -0.290 32.301 32.600 -0.015 0.000 1.263 194 M HN 0.184 nan 8.290 nan 0.000 0.521 195 S N -0.670 114.760 115.700 -0.450 0.000 2.638 195 S HA 0.540 5.010 4.470 -0.000 0.000 0.274 195 S C -0.724 173.238 174.600 -1.063 0.000 1.157 195 S CA -0.843 56.872 58.200 -0.810 0.000 0.826 195 S CB 3.100 65.733 63.200 -0.945 0.000 1.139 195 S HN 0.247 nan 8.310 nan 0.000 0.474 196 R N 1.377 121.472 120.500 -0.675 0.000 2.254 196 R HA 0.503 4.843 4.340 -0.000 0.000 0.318 196 R C -0.536 175.683 176.300 -0.134 0.000 1.031 196 R CA -0.282 55.653 56.100 -0.275 0.000 0.905 196 R CB 0.619 30.915 30.300 -0.006 0.000 1.050 196 R HN 0.732 nan 8.270 nan 0.000 0.456 197 M N 3.495 123.133 119.600 0.064 0.000 2.188 197 M HA 0.274 4.754 4.480 -0.000 0.000 0.357 197 M C -1.228 175.112 176.300 0.066 0.000 1.204 197 M CA 0.133 55.522 55.300 0.148 0.000 1.095 197 M CB 1.360 34.047 32.600 0.145 0.000 1.604 197 M HN 0.597 nan 8.290 nan 0.000 0.464 198 S N 5.819 121.573 115.700 0.090 0.000 2.521 198 S HA 0.712 5.182 4.470 -0.000 0.000 0.295 198 S C -0.903 173.733 174.600 0.060 0.000 1.098 198 S CA -0.705 57.523 58.200 0.047 0.000 0.999 198 S CB 1.524 64.732 63.200 0.013 0.000 1.034 198 S HN 0.708 nan 8.310 nan 0.000 0.483 199 I N 1.672 122.246 120.570 0.008 0.000 2.533 199 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 199 I C -1.004 175.112 176.117 -0.003 0.000 1.056 199 I CA -0.480 60.826 61.300 0.010 0.000 1.057 199 I CB 1.773 39.730 38.000 -0.072 0.000 1.240 199 I HN 0.501 nan 8.210 nan 0.000 0.423 200 c N 6.049 124.648 118.600 -0.002 0.000 2.547 200 c HA 0.660 5.230 4.570 -0.000 0.000 0.313 200 c C -0.104 173.878 174.090 -0.181 0.000 1.191 200 c CA -0.593 55.681 56.329 -0.092 0.000 1.474 200 c CB 1.618 44.066 42.510 -0.104 0.000 2.081 200 c HN 0.605 nan 8.230 nan 0.000 0.476 201 M N 3.025 122.407 119.600 -0.364 0.000 2.318 201 M HA 0.616 5.096 4.480 -0.000 0.000 0.347 201 M C 0.368 175.970 176.300 -1.164 0.000 1.175 201 M CA 0.451 55.374 55.300 -0.628 0.000 1.075 201 M CB 1.517 33.716 32.600 -0.669 0.000 1.614 201 M HN 0.849 nan 8.290 nan 0.000 0.456 202 S N 0.709 115.864 115.700 -0.909 0.000 2.720 202 S HA 1.025 5.495 4.470 -0.000 0.000 0.287 202 S C -0.233 174.240 174.600 -0.212 0.000 1.168 202 S CA -0.177 57.504 58.200 -0.865 0.000 0.832 202 S CB 1.582 64.541 63.200 -0.401 0.000 1.166 202 S HN 1.615 nan 8.310 nan 0.000 0.493 203 G N 0.358 109.260 108.800 0.170 0.000 2.462 203 G HA2 0.188 4.148 3.960 -0.000 0.000 0.685 203 G HA3 0.188 4.148 3.960 -0.000 0.000 0.685 203 G C -3.426 171.682 174.900 0.347 0.000 1.295 203 G CA -0.369 44.860 45.100 0.214 0.000 0.941 203 G HN 0.821 nan 8.290 nan 0.000 0.554 204 P HA 0.277 nan 4.420 nan 0.000 0.276 204 P C 0.544 177.897 177.300 0.088 0.000 1.252 204 P CA -0.451 62.709 63.100 0.100 0.000 0.802 204 P CB 0.662 32.393 31.700 0.052 0.000 1.035 205 N N 1.417 120.113 118.700 -0.007 0.000 2.104 205 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 205 N C 1.158 176.663 175.510 -0.009 0.000 1.024 205 N CA 1.582 54.604 53.050 -0.046 0.000 0.853 205 N CB -0.940 37.488 38.487 -0.098 0.000 1.008 205 N HN 0.574 nan 8.380 nan 0.000 0.424 206 N N -0.548 118.151 118.700 -0.002 0.000 2.383 206 N HA 0.006 4.745 4.740 -0.000 0.000 0.192 206 N C -0.187 175.326 175.510 0.005 0.000 1.141 206 N CA 0.307 53.354 53.050 -0.004 0.000 0.851 206 N CB 0.036 38.520 38.487 -0.004 0.000 0.976 206 N HN -0.021 nan 8.380 nan 0.000 0.465 207 N N -0.592 118.124 118.700 0.026 0.000 2.498 207 N HA 0.276 5.016 4.740 -0.000 0.000 0.272 207 N C -1.242 174.294 175.510 0.043 0.000 1.534 207 N CA -0.135 52.931 53.050 0.026 0.000 0.873 207 N CB 0.740 39.244 38.487 0.028 0.000 1.415 207 N HN 0.348 nan 8.380 nan 0.000 0.496 208 A N 0.330 123.186 122.820 0.060 0.000 2.296 208 A HA 0.762 5.082 4.320 -0.000 0.000 0.264 208 A C 0.286 177.855 177.584 -0.026 0.000 1.097 208 A CA -0.023 52.061 52.037 0.077 0.000 0.811 208 A CB 0.383 19.513 19.000 0.217 0.000 1.072 208 A HN 0.391 nan 8.150 nan 0.000 0.495 209 S N -1.010 114.642 115.700 -0.081 0.000 2.537 209 S HA 0.717 5.186 4.470 -0.000 0.000 0.270 209 S C -0.601 173.929 174.600 -0.116 0.000 1.142 209 S CA -0.123 58.032 58.200 -0.075 0.000 0.870 209 S CB 1.266 64.446 63.200 -0.034 0.000 1.112 209 S HN 1.959 nan 8.310 nan 0.000 0.466 210 A N 1.825 124.608 122.820 -0.061 0.000 2.309 210 A HA 0.760 5.080 4.320 -0.000 0.000 0.298 210 A C -0.424 177.163 177.584 0.005 0.000 1.165 210 A CA -0.737 51.276 52.037 -0.040 0.000 0.821 210 A CB 0.584 19.597 19.000 0.021 0.000 1.102 210 A HN 1.114 nan 8.150 nan 0.000 0.500 211 V N 3.047 122.980 119.914 0.032 0.000 2.417 211 V HA 0.397 4.517 4.120 -0.000 0.000 0.291 211 V C -0.293 175.886 176.094 0.142 0.000 1.024 211 V CA -0.545 61.793 62.300 0.063 0.000 0.861 211 V CB 1.486 33.378 31.823 0.114 0.000 0.985 211 V HN 0.610 nan 8.190 nan 0.000 0.436 212 V N 4.059 123.983 119.914 0.017 0.000 2.370 212 V HA 0.448 4.568 4.120 -0.000 0.000 0.283 212 V C -0.813 175.281 176.094 -0.000 0.000 1.023 212 V CA -0.558 61.732 62.300 -0.017 0.000 0.857 212 V CB 1.195 32.897 31.823 -0.201 0.000 0.985 212 V HN 0.867 nan 8.190 nan 0.000 0.443 213 W N 4.020 125.282 121.300 -0.064 0.000 2.627 213 W HA 0.677 5.337 4.660 -0.001 0.000 0.339 213 W C -0.671 175.888 176.519 0.068 0.000 1.058 213 W CA -0.821 56.525 57.345 0.001 0.000 1.223 213 W CB 1.293 30.748 29.460 -0.009 0.000 1.389 213 W HN 0.547 nan 8.180 nan 0.000 0.541 214 Y N 0.695 121.081 120.300 0.143 0.000 2.396 214 Y HA 0.454 5.004 4.550 -0.000 0.000 0.332 214 Y C 0.759 176.706 175.900 0.078 0.000 1.034 214 Y CA -0.409 57.735 58.100 0.073 0.000 1.057 214 Y CB 1.953 40.429 38.460 0.026 0.000 1.220 214 Y HN 0.756 nan 8.280 nan 0.000 0.440 215 G N 3.343 111.879 108.800 -0.440 0.000 2.305 215 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.287 215 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.287 215 G C 1.002 175.884 174.900 -0.029 0.000 1.036 215 G CA 0.900 45.830 45.100 -0.284 0.000 0.887 215 G HN 2.166 nan 8.290 nan 0.000 0.505 216 G N -1.960 106.893 108.800 0.089 0.000 2.148 216 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.254 216 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.254 216 G C 0.301 175.442 174.900 0.401 0.000 0.981 216 G CA 1.042 46.271 45.100 0.216 0.000 0.670 216 G HN 1.100 nan 8.290 nan 0.000 0.528 217 R N 0.374 121.054 120.500 0.301 0.000 2.750 217 R HA 0.541 4.881 4.340 -0.000 0.000 0.281 217 R C -2.729 173.423 176.300 -0.247 0.000 0.972 217 R CA -2.061 54.079 56.100 0.066 0.000 0.912 217 R CB 2.494 32.804 30.300 0.017 0.000 1.187 217 R HN 0.071 nan 8.270 nan 0.000 0.464 218 P HA 0.123 nan 4.420 nan 0.000 0.280 218 P C -0.088 176.973 177.300 -0.398 0.000 1.244 218 P CA -0.095 62.423 63.100 -0.970 0.000 0.784 218 P CB 0.993 32.013 31.700 -1.134 0.000 0.913 219 I N 0.821 121.234 120.570 -0.261 0.000 3.366 219 I HA 0.152 4.322 4.170 -0.000 0.000 0.267 219 I C 0.845 176.912 176.117 -0.083 0.000 1.149 219 I CA 1.001 62.234 61.300 -0.112 0.000 1.436 219 I CB -0.632 37.350 38.000 -0.030 0.000 1.379 219 I HN 0.238 nan 8.210 nan 0.000 0.460 220 T N 1.999 116.511 114.554 -0.070 0.000 2.900 220 T HA 0.560 4.910 4.350 -0.000 0.000 0.295 220 T C -0.838 173.857 174.700 -0.008 0.000 1.044 220 T CA -0.474 61.627 62.100 0.001 0.000 0.995 220 T CB 2.816 71.750 68.868 0.110 0.000 1.072 220 T HN -0.059 nan 8.240 nan 0.000 0.473 221 E N 1.326 121.534 120.200 0.013 0.000 2.256 221 E HA 0.704 5.054 4.350 -0.000 0.000 0.267 221 E C -0.925 175.715 176.600 0.067 0.000 0.892 221 E CA -0.617 55.796 56.400 0.022 0.000 0.775 221 E CB 1.987 31.683 29.700 -0.007 0.000 1.207 221 E HN 0.465 nan 8.360 nan 0.000 0.420 222 I N 3.000 123.621 120.570 0.084 0.000 2.468 222 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 222 I C -2.388 173.787 176.117 0.096 0.000 1.038 222 I CA -2.307 59.072 61.300 0.132 0.000 1.083 222 I CB 1.907 40.039 38.000 0.220 0.000 1.223 222 I HN 0.276 nan 8.210 nan 0.000 0.443 223 P HA 0.065 nan 4.420 nan 0.000 0.275 223 P C -0.028 177.301 177.300 0.048 0.000 1.228 223 P CA -0.232 62.902 63.100 0.058 0.000 0.786 223 P CB 1.161 32.899 31.700 0.064 0.000 0.927 224 S N 1.840 117.505 115.700 -0.060 0.000 2.593 224 S HA -0.049 4.421 4.470 -0.000 0.000 0.300 224 S C 0.661 175.228 174.600 -0.056 0.000 1.267 224 S CA -0.231 57.846 58.200 -0.205 0.000 1.065 224 S CB -0.299 62.805 63.200 -0.159 0.000 0.807 224 S HN 0.581 nan 8.310 nan 0.000 0.499 225 W N 3.470 124.782 121.300 0.019 0.000 3.114 225 W HA 0.600 5.259 4.660 -0.000 0.000 0.279 225 W C 1.106 177.630 176.519 0.008 0.000 1.277 225 W CA 0.062 57.413 57.345 0.010 0.000 1.630 225 W CB -0.381 29.081 29.460 0.003 0.000 1.087 225 W HN 0.678 nan 8.180 nan 0.000 0.637 226 A N 0.546 123.321 122.820 -0.074 0.000 2.551 226 A HA 0.580 4.900 4.320 -0.000 0.000 0.252 226 A C 1.758 179.316 177.584 -0.043 0.000 1.199 226 A CA 0.267 52.303 52.037 -0.001 0.000 0.972 226 A CB -0.565 18.447 19.000 0.020 0.000 1.153 226 A HN 0.766 nan 8.150 nan 0.000 0.559 227 G N 0.315 109.072 108.800 -0.073 0.000 2.249 227 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 227 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 227 G C -0.099 174.771 174.900 -0.051 0.000 1.036 227 G CA 0.568 45.640 45.100 -0.046 0.000 0.824 227 G HN 0.714 nan 8.290 nan 0.000 0.504 228 N N -0.156 118.496 118.700 -0.080 0.000 2.751 228 N HA 0.321 5.061 4.740 -0.000 0.000 0.234 228 N C 0.562 176.028 175.510 -0.073 0.000 1.403 228 N CA -0.322 52.688 53.050 -0.067 0.000 0.747 228 N CB -0.284 38.170 38.487 -0.056 0.000 1.326 228 N HN 0.744 nan 8.380 nan 0.000 0.532 229 I N 0.720 121.264 120.570 -0.043 0.000 7.004 229 I HA -0.327 3.842 4.170 -0.000 0.000 0.126 229 I C -0.026 176.120 176.117 0.048 0.000 1.826 229 I CA 0.008 61.315 61.300 0.012 0.000 2.066 229 I CB -0.810 37.124 38.000 -0.110 0.000 3.565 229 I HN 0.351 nan 8.210 nan 0.000 0.178 230 L N 5.777 126.991 121.223 -0.014 0.000 2.601 230 L HA 0.199 4.539 4.340 -0.000 0.000 0.277 230 L C 0.845 177.737 176.870 0.036 0.000 1.219 230 L CA 1.024 55.763 54.840 -0.168 0.000 0.915 230 L CB 0.135 41.998 42.059 -0.327 0.000 1.160 230 L HN 0.564 nan 8.230 nan 0.000 0.494 231 R N 2.404 122.905 120.500 0.002 0.000 2.733 231 R HA 0.732 5.072 4.340 -0.000 0.000 0.272 231 R C -1.022 175.313 176.300 0.058 0.000 1.029 231 R CA -0.682 55.484 56.100 0.110 0.000 0.888 231 R CB 1.406 31.817 30.300 0.184 0.000 1.251 231 R HN 0.537 nan 8.270 nan 0.000 0.464 232 T N -1.517 113.079 114.554 0.070 0.000 2.572 232 T HA 0.179 4.528 4.350 -0.000 0.000 0.274 232 T C 0.306 175.019 174.700 0.022 0.000 0.949 232 T CA -0.367 61.756 62.100 0.039 0.000 1.126 232 T CB 1.418 70.303 68.868 0.029 0.000 1.478 232 T HN 0.641 nan 8.240 nan 0.000 0.492 233 Q N 0.168 119.954 119.800 -0.024 0.000 2.079 233 Q HA -0.031 4.309 4.340 -0.000 0.000 0.200 233 Q C -0.045 175.919 176.000 -0.060 0.000 0.974 233 Q CA 1.379 57.145 55.803 -0.061 0.000 0.840 233 Q CB 0.043 28.716 28.738 -0.109 0.000 0.898 233 Q HN 0.620 nan 8.270 nan 0.000 0.430 234 E N -0.380 119.771 120.200 -0.082 0.000 3.170 234 E HA -0.177 4.172 4.350 -0.000 0.000 0.284 234 E C -0.310 176.118 176.600 -0.285 0.000 0.967 234 E CA 1.211 57.592 56.400 -0.032 0.000 0.919 234 E CB -2.202 27.636 29.700 0.230 0.000 1.469 234 E HN 0.479 nan 8.360 nan 0.000 0.444 235 S N -1.414 113.917 115.700 -0.614 0.000 2.752 235 S HA 0.501 4.970 4.470 -0.000 0.000 0.284 235 S C -0.267 173.849 174.600 -0.808 0.000 1.189 235 S CA -0.639 57.034 58.200 -0.878 0.000 0.835 235 S CB 2.081 65.251 63.200 -0.049 0.000 1.192 235 S HN 0.228 nan 8.310 nan 0.000 0.506 236 E N 0.010 119.955 120.200 -0.424 0.000 2.398 236 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 236 E C 0.500 177.056 176.600 -0.074 0.000 1.046 236 E CA -0.899 55.385 56.400 -0.194 0.000 0.908 236 E CB 0.196 29.915 29.700 0.032 0.000 0.963 236 E HN 0.821 nan 8.360 nan 0.000 0.431 237 c N 1.695 120.266 118.600 -0.048 0.000 2.574 237 c HA 0.740 5.310 4.570 -0.000 0.000 0.335 237 c C 0.204 174.331 174.090 0.062 0.000 1.493 237 c CA -0.881 55.449 56.329 0.001 0.000 2.217 237 c CB -0.058 42.453 42.510 0.001 0.000 2.056 237 c HN 0.595 nan 8.230 nan 0.000 0.607 238 V N -0.461 119.474 119.914 0.034 0.000 2.841 238 V HA 0.557 4.677 4.120 -0.000 0.000 0.310 238 V C -0.341 175.741 176.094 -0.021 0.000 1.090 238 V CA -0.229 62.062 62.300 -0.013 0.000 0.930 238 V CB 1.336 33.127 31.823 -0.053 0.000 1.014 238 V HN 1.203 nan 8.190 nan 0.000 0.425 239 c N 2.898 121.467 118.600 -0.051 0.000 2.614 239 c HA 0.744 5.313 4.570 -0.000 0.000 0.320 239 c C -0.446 173.653 174.090 0.015 0.000 1.200 239 c CA -0.553 55.785 56.329 0.016 0.000 1.700 239 c CB 1.270 43.832 42.510 0.087 0.000 2.275 239 c HN 1.027 nan 8.230 nan 0.000 0.492 240 H N 1.312 120.339 119.070 -0.072 0.000 3.096 240 H HA 0.226 4.782 4.556 -0.000 0.000 0.335 240 H C -0.504 174.777 175.328 -0.079 0.000 0.990 240 H CA -0.202 55.811 56.048 -0.060 0.000 1.393 240 H CB 0.594 30.331 29.762 -0.043 0.000 1.742 240 H HN 0.902 nan 8.280 nan 0.000 0.501 241 K N 3.401 123.534 120.400 -0.445 0.000 3.035 241 K HA -0.239 4.081 4.320 -0.000 0.000 0.262 241 K C 0.898 177.130 176.600 -0.613 0.000 1.024 241 K CA 0.932 56.993 56.287 -0.377 0.000 0.748 241 K CB -1.459 30.815 32.500 -0.377 0.000 1.247 241 K HN 1.085 nan 8.250 nan 0.000 0.482 242 G N -1.427 106.876 108.800 -0.828 0.000 2.205 242 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.261 242 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.261 242 G C 0.165 174.794 174.900 -0.451 0.000 0.980 242 G CA 0.121 44.493 45.100 -1.213 0.000 0.632 242 G HN 0.260 nan 8.290 nan 0.000 0.533 243 V N 1.303 121.076 119.914 -0.235 0.000 2.385 243 V HA 0.462 4.582 4.120 -0.000 0.000 0.269 243 V C 0.556 176.678 176.094 0.047 0.000 1.043 243 V CA -0.296 61.977 62.300 -0.046 0.000 0.906 243 V CB 1.286 33.115 31.823 0.011 0.000 0.995 243 V HN 0.455 nan 8.190 nan 0.000 0.467 244 c N 7.607 126.268 118.600 0.100 0.000 2.294 244 c HA 0.455 5.025 4.570 -0.000 0.000 0.319 244 c C -2.348 171.822 174.090 0.133 0.000 1.164 244 c CA -1.677 54.724 56.329 0.119 0.000 1.497 244 c CB 0.265 42.855 42.510 0.133 0.000 2.061 244 c HN 0.604 nan 8.230 nan 0.000 0.438 245 P HA 0.370 nan 4.420 nan 0.000 0.275 245 P C -0.648 176.594 177.300 -0.096 0.000 1.227 245 P CA 0.047 63.035 63.100 -0.187 0.000 0.781 245 P CB 0.778 32.318 31.700 -0.266 0.000 0.906 246 V N 3.742 123.587 119.914 -0.115 0.000 2.577 246 V HA 0.224 4.344 4.120 -0.000 0.000 0.303 246 V C -0.122 175.917 176.094 -0.091 0.000 1.042 246 V CA -0.791 61.501 62.300 -0.012 0.000 0.872 246 V CB 2.367 34.309 31.823 0.198 0.000 0.998 246 V HN 0.203 nan 8.190 nan 0.000 0.423 247 V N 6.264 126.125 119.914 -0.088 0.000 2.461 247 V HA 0.510 4.630 4.120 -0.000 0.000 0.275 247 V C 0.100 176.193 176.094 -0.003 0.000 1.047 247 V CA -0.011 62.235 62.300 -0.089 0.000 0.955 247 V CB 1.083 32.840 31.823 -0.110 0.000 0.988 247 V HN 0.833 nan 8.190 nan 0.000 0.471 248 M N 3.470 123.107 119.600 0.061 0.000 2.572 248 M HA 0.587 5.067 4.480 -0.000 0.000 0.299 248 M C -0.595 175.824 176.300 0.197 0.000 1.205 248 M CA -0.346 55.045 55.300 0.152 0.000 0.876 248 M CB 2.841 35.629 32.600 0.312 0.000 1.728 248 M HN 0.538 nan 8.290 nan 0.000 0.458 249 T N 0.331 114.955 114.554 0.117 0.000 2.893 249 T HA 0.526 4.876 4.350 -0.000 0.000 0.293 249 T C -1.658 173.021 174.700 -0.035 0.000 1.027 249 T CA -0.624 61.529 62.100 0.088 0.000 0.988 249 T CB 1.844 70.697 68.868 -0.025 0.000 1.043 249 T HN 0.573 nan 8.240 nan 0.000 0.461 250 D N 0.334 120.708 120.400 -0.043 0.000 2.964 250 D HA 0.665 5.305 4.640 -0.000 0.000 0.234 250 D C -0.043 176.214 176.300 -0.072 0.000 1.223 250 D CA 0.377 54.228 54.000 -0.249 0.000 0.889 250 D CB 1.713 41.991 40.800 -0.870 0.000 1.609 250 D HN 0.982 nan 8.370 nan 0.000 0.523 251 G N 2.587 111.348 108.800 -0.065 0.000 2.347 251 G HA2 0.065 4.024 3.960 -0.000 0.000 0.341 251 G HA3 0.065 4.024 3.960 -0.000 0.000 0.341 251 G C -2.960 171.934 174.900 -0.010 0.000 1.287 251 G CA -1.013 44.074 45.100 -0.023 0.000 0.984 251 G HN 0.419 nan 8.290 nan 0.000 0.526 252 P HA 0.396 nan 4.420 nan 0.000 0.266 252 P C 0.822 178.143 177.300 0.036 0.000 1.195 252 P CA 0.845 63.923 63.100 -0.037 0.000 0.768 252 P CB 1.011 32.642 31.700 -0.114 0.000 0.838 253 A N 3.217 126.044 122.820 0.012 0.000 2.119 253 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 253 A C 1.123 178.623 177.584 -0.140 0.000 1.152 253 A CA 1.099 53.159 52.037 0.039 0.000 0.708 253 A CB -0.808 18.213 19.000 0.036 0.000 0.805 253 A HN 0.675 nan 8.150 nan 0.000 0.460 254 N N -0.772 117.827 118.700 -0.167 0.000 2.351 254 N HA 0.159 4.899 4.740 -0.000 0.000 0.254 254 N C -0.547 174.764 175.510 -0.331 0.000 1.241 254 N CA -0.324 52.637 53.050 -0.149 0.000 0.883 254 N CB -0.120 38.349 38.487 -0.031 0.000 1.202 254 N HN 0.259 nan 8.380 nan 0.000 0.512 255 N N 0.158 118.404 118.700 -0.757 0.000 3.261 255 N HA 0.193 4.933 4.740 -0.000 0.000 0.248 255 N C -1.461 173.276 175.510 -1.289 0.000 1.498 255 N CA -0.549 51.679 53.050 -1.370 0.000 0.884 255 N CB 1.795 39.922 38.487 -0.599 0.000 1.428 255 N HN 0.107 nan 8.380 nan 0.000 0.517 256 R N 0.583 120.230 120.500 -1.421 0.000 2.537 256 R HA 0.385 4.724 4.340 -0.000 0.000 0.281 256 R C -0.420 175.747 176.300 -0.221 0.000 0.988 256 R CA 0.477 56.192 56.100 -0.642 0.000 1.077 256 R CB -0.032 30.035 30.300 -0.388 0.000 0.932 256 R HN 0.525 nan 8.270 nan 0.000 0.409 257 A N 2.859 125.655 122.820 -0.039 0.000 2.483 257 A HA 0.763 5.083 4.320 -0.000 0.000 0.286 257 A C -1.364 176.242 177.584 0.038 0.000 1.207 257 A CA -0.475 51.563 52.037 0.001 0.000 0.764 257 A CB 1.702 20.708 19.000 0.010 0.000 1.341 257 A HN 0.762 nan 8.150 nan 0.000 0.428 258 A N 0.719 123.609 122.820 0.117 0.000 2.322 258 A HA 0.622 4.941 4.320 -0.000 0.000 0.327 258 A C -0.086 177.677 177.584 0.298 0.000 1.394 258 A CA -0.198 51.966 52.037 0.212 0.000 0.921 258 A CB -0.447 18.764 19.000 0.352 0.000 1.153 258 A HN 0.666 nan 8.150 nan 0.000 0.523 259 T N 2.748 117.375 114.554 0.121 0.000 2.867 259 T HA 0.494 4.844 4.350 -0.000 0.000 0.282 259 T C -0.145 174.552 174.700 -0.005 0.000 1.000 259 T CA -0.202 61.951 62.100 0.088 0.000 1.042 259 T CB 0.895 69.750 68.868 -0.021 0.000 0.973 259 T HN 0.632 nan 8.240 nan 0.000 0.465 260 K N 2.113 122.499 120.400 -0.023 0.000 2.426 260 K HA 0.579 4.899 4.320 -0.000 0.000 0.251 260 K C -0.913 175.567 176.600 -0.200 0.000 0.941 260 K CA -0.789 55.376 56.287 -0.203 0.000 0.808 260 K CB 2.404 34.616 32.500 -0.481 0.000 1.265 260 K HN 0.464 nan 8.250 nan 0.000 0.432 261 I N 3.768 124.162 120.570 -0.292 0.000 2.321 261 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 261 I C -0.288 175.551 176.117 -0.463 0.000 0.998 261 I CA -0.688 60.363 61.300 -0.415 0.000 1.227 261 I CB 0.793 38.455 38.000 -0.564 0.000 1.368 261 I HN 0.359 nan 8.210 nan 0.000 0.466 262 I N 6.565 126.854 120.570 -0.469 0.000 2.354 262 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 262 I C -0.985 174.702 176.117 -0.717 0.000 0.989 262 I CA -0.710 60.273 61.300 -0.529 0.000 1.188 262 I CB 1.162 38.879 38.000 -0.473 0.000 1.342 262 I HN 0.401 nan 8.210 nan 0.000 0.457 263 Y N 5.963 125.988 120.300 -0.460 0.000 2.353 263 Y HA 0.437 4.986 4.550 -0.000 0.000 0.340 263 Y C -0.291 175.363 175.900 -0.409 0.000 0.972 263 Y CA -0.382 57.535 58.100 -0.305 0.000 1.157 263 Y CB 0.690 39.041 38.460 -0.183 0.000 1.157 263 Y HN 0.326 nan 8.280 nan 0.000 0.495 264 F N 2.566 122.540 119.950 0.039 0.000 2.458 264 F HA 0.573 5.099 4.527 -0.000 0.000 0.330 264 F C 0.025 175.788 175.800 -0.062 0.000 1.082 264 F CA -1.025 56.966 58.000 -0.016 0.000 0.995 264 F CB 1.748 40.732 39.000 -0.026 0.000 1.170 264 F HN 0.204 nan 8.300 nan 0.000 0.478 265 K N 1.763 122.219 120.400 0.092 0.000 2.565 265 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 265 K C -0.746 175.734 176.600 -0.200 0.000 0.958 265 K CA -0.419 55.821 56.287 -0.079 0.000 0.806 265 K CB 0.996 33.432 32.500 -0.106 0.000 1.194 265 K HN 0.768 nan 8.250 nan 0.000 0.434 266 E N 2.399 122.305 120.200 -0.491 0.000 2.440 266 E HA -0.281 4.069 4.350 -0.000 0.000 0.246 266 E C 0.495 176.641 176.600 -0.757 0.000 1.165 266 E CA 0.782 56.474 56.400 -1.179 0.000 0.726 266 E CB -1.425 27.928 29.700 -0.578 0.000 1.271 266 E HN 1.155 nan 8.360 nan 0.000 0.397 267 G N -0.249 108.312 108.800 -0.399 0.000 2.184 267 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 267 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 267 G C 0.166 175.123 174.900 0.096 0.000 0.975 267 G CA 0.861 45.899 45.100 -0.104 0.000 0.642 267 G HN 0.285 nan 8.290 nan 0.000 0.536 268 K N -0.030 120.430 120.400 0.101 0.000 2.138 268 K HA 0.645 4.965 4.320 -0.000 0.000 0.263 268 K C 0.415 177.109 176.600 0.157 0.000 0.965 268 K CA -0.946 55.419 56.287 0.129 0.000 0.868 268 K CB 1.725 34.238 32.500 0.022 0.000 1.083 268 K HN 0.186 nan 8.250 nan 0.000 0.443 269 I N 3.884 124.494 120.570 0.067 0.000 2.436 269 I HA -0.086 4.084 4.170 -0.000 0.000 0.289 269 I C 1.231 177.286 176.117 -0.103 0.000 1.083 269 I CA -0.007 61.210 61.300 -0.139 0.000 1.372 269 I CB 0.751 38.666 38.000 -0.141 0.000 1.408 269 I HN 0.514 nan 8.210 nan 0.000 0.516 270 Q N 5.221 124.949 119.800 -0.119 0.000 2.302 270 Q HA 0.162 4.502 4.340 -0.000 0.000 0.202 270 Q C 0.333 176.282 176.000 -0.086 0.000 0.936 270 Q CA 0.817 56.572 55.803 -0.079 0.000 0.886 270 Q CB 0.401 29.102 28.738 -0.061 0.000 0.986 270 Q HN 0.592 nan 8.270 nan 0.000 0.487 271 K N -0.432 119.921 120.400 -0.078 0.000 2.653 271 K HA 0.378 4.698 4.320 -0.000 0.000 0.274 271 K C -1.832 174.774 176.600 0.010 0.000 0.974 271 K CA -0.271 55.987 56.287 -0.049 0.000 0.868 271 K CB 1.144 33.575 32.500 -0.114 0.000 1.408 271 K HN -0.061 nan 8.250 nan 0.000 0.397 272 I N 2.688 123.238 120.570 -0.033 0.000 2.466 272 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 272 I C -0.714 175.378 176.117 -0.041 0.000 1.026 272 I CA -0.678 60.573 61.300 -0.081 0.000 1.078 272 I CB 2.125 40.016 38.000 -0.180 0.000 1.249 272 I HN 0.498 nan 8.210 nan 0.000 0.429 273 E N 5.024 125.217 120.200 -0.012 0.000 2.222 273 E HA 0.370 4.720 4.350 -0.000 0.000 0.267 273 E C -1.125 175.441 176.600 -0.055 0.000 0.884 273 E CA -0.819 55.601 56.400 0.033 0.000 0.764 273 E CB 2.488 32.324 29.700 0.225 0.000 1.169 273 E HN 0.501 nan 8.360 nan 0.000 0.413 274 E N 1.441 121.616 120.200 -0.042 0.000 2.373 274 E HA 0.081 4.431 4.350 -0.000 0.000 0.267 274 E C -0.384 176.261 176.600 0.075 0.000 1.032 274 E CA -0.497 55.871 56.400 -0.053 0.000 0.889 274 E CB 0.761 30.427 29.700 -0.056 0.000 0.984 274 E HN 0.209 nan 8.360 nan 0.000 0.425 275 L N 2.719 123.961 121.223 0.032 0.000 2.578 275 L HA 0.099 4.439 4.340 -0.000 0.000 0.279 275 L C -0.510 176.489 176.870 0.215 0.000 1.227 275 L CA 0.759 55.681 54.840 0.137 0.000 0.900 275 L CB 0.012 42.090 42.059 0.032 0.000 1.144 275 L HN 0.587 nan 8.230 nan 0.000 0.496 276 A N 3.478 126.512 122.820 0.356 0.000 2.387 276 A HA 0.965 5.285 4.320 -0.000 0.000 0.303 276 A C 0.314 177.932 177.584 0.058 0.000 1.145 276 A CA -0.005 52.077 52.037 0.076 0.000 0.801 276 A CB 0.888 19.823 19.000 -0.109 0.000 1.342 276 A HN 1.771 nan 8.150 nan 0.000 0.440 277 G N 0.088 108.900 108.800 0.019 0.000 2.545 277 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 277 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 277 G C 0.024 174.960 174.900 0.060 0.000 1.314 277 G CA 0.209 45.325 45.100 0.026 0.000 0.906 277 G HN 0.841 nan 8.290 nan 0.000 0.563 278 N N 0.898 119.640 118.700 0.069 0.000 2.325 278 N HA 0.371 5.111 4.740 -0.000 0.000 0.182 278 N C 1.192 176.810 175.510 0.179 0.000 1.088 278 N CA 0.964 54.089 53.050 0.126 0.000 0.879 278 N CB 0.214 38.786 38.487 0.142 0.000 0.983 278 N HN 1.118 nan 8.380 nan 0.000 0.471 279 A N 0.861 123.694 122.820 0.022 0.000 2.524 279 A HA 0.052 4.371 4.320 -0.000 0.000 0.250 279 A C 1.060 178.718 177.584 0.122 0.000 1.078 279 A CA 0.068 52.030 52.037 -0.124 0.000 0.761 279 A CB 0.297 19.156 19.000 -0.235 0.000 1.012 279 A HN 0.232 nan 8.150 nan 0.000 0.500 280 Q N 0.129 120.108 119.800 0.297 0.000 2.402 280 Q HA 0.060 4.400 4.340 -0.000 0.000 0.206 280 Q C -0.240 176.079 176.000 0.531 0.000 0.919 280 Q CA 0.777 56.830 55.803 0.415 0.000 0.923 280 Q CB 0.300 29.282 28.738 0.407 0.000 1.048 280 Q HN 0.909 nan 8.270 nan 0.000 0.515 281 H N -0.764 118.482 119.070 0.293 0.000 3.123 281 H HA 0.341 4.896 4.556 -0.000 0.000 0.346 281 H C -1.827 173.570 175.328 0.116 0.000 1.138 281 H CA -0.596 55.592 56.048 0.233 0.000 1.273 281 H CB 1.076 31.058 29.762 0.366 0.000 1.926 281 H HN -0.127 nan 8.280 nan 0.000 0.524 282 I N 4.115 124.481 120.570 -0.339 0.000 2.499 282 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 282 I C -0.730 175.259 176.117 -0.214 0.000 1.048 282 I CA -0.629 60.559 61.300 -0.186 0.000 1.062 282 I CB 1.640 39.557 38.000 -0.138 0.000 1.238 282 I HN 0.647 nan 8.210 nan 0.000 0.426 283 E N 4.554 124.716 120.200 -0.063 0.000 2.340 283 E HA 0.337 4.686 4.350 -0.000 0.000 0.273 283 E C -0.713 175.869 176.600 -0.030 0.000 0.891 283 E CA -0.675 55.712 56.400 -0.022 0.000 0.757 283 E CB 2.173 31.911 29.700 0.062 0.000 1.231 283 E HN 0.473 nan 8.360 nan 0.000 0.439 284 E N 0.073 120.257 120.200 -0.026 0.000 2.252 284 E HA -0.198 4.151 4.350 -0.000 0.000 0.218 284 E C -0.678 175.887 176.600 -0.058 0.000 1.253 284 E CA 0.185 56.556 56.400 -0.048 0.000 0.705 284 E CB -1.561 28.069 29.700 -0.116 0.000 1.172 284 E HN 0.384 nan 8.360 nan 0.000 0.369 285 c N 1.130 119.700 118.600 -0.050 0.000 2.662 285 c HA 0.211 4.780 4.570 -0.000 0.000 0.420 285 c C 1.131 175.201 174.090 -0.034 0.000 1.314 285 c CA -0.229 56.072 56.329 -0.048 0.000 1.963 285 c CB 0.594 43.067 42.510 -0.062 0.000 2.686 285 c HN 0.383 nan 8.230 nan 0.000 0.609 286 S N 1.802 117.499 115.700 -0.005 0.000 2.474 286 S HA 0.504 4.973 4.470 -0.000 0.000 0.321 286 S C -0.494 174.129 174.600 0.038 0.000 1.080 286 S CA -0.473 57.745 58.200 0.030 0.000 1.106 286 S CB 0.506 63.755 63.200 0.081 0.000 0.984 286 S HN 0.840 nan 8.310 nan 0.000 0.464 287 c N 3.491 122.121 118.600 0.049 0.000 2.561 287 c HA 0.889 5.459 4.570 -0.000 0.000 0.319 287 c C -0.665 173.525 174.090 0.167 0.000 1.198 287 c CA -1.063 55.286 56.329 0.034 0.000 1.665 287 c CB 0.069 42.565 42.510 -0.024 0.000 2.258 287 c HN 0.969 nan 8.230 nan 0.000 0.493 288 Y N -0.521 119.825 120.300 0.076 0.000 2.597 288 Y HA 0.826 5.376 4.550 -0.000 0.000 0.340 288 Y C -0.311 175.711 175.900 0.202 0.000 1.097 288 Y CA -0.888 57.342 58.100 0.216 0.000 1.037 288 Y CB 1.035 39.667 38.460 0.286 0.000 1.305 288 Y HN 0.854 nan 8.280 nan 0.000 0.463 289 G N 0.514 109.520 108.800 0.344 0.000 2.482 289 G HA2 0.828 4.788 3.960 -0.000 0.000 0.317 289 G HA3 0.828 4.788 3.960 -0.000 0.000 0.317 289 G C -1.724 173.445 174.900 0.448 0.000 1.241 289 G CA -0.636 44.553 45.100 0.147 0.000 0.967 289 G HN 1.419 nan 8.290 nan 0.000 0.482 290 A N 0.062 123.099 122.820 0.363 0.000 2.577 290 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 290 A C 0.545 178.279 177.584 0.251 0.000 1.060 290 A CA 0.369 52.695 52.037 0.482 0.000 0.697 290 A CB 0.886 20.204 19.000 0.530 0.000 1.281 290 A HN 2.584 nan 8.150 nan 0.000 0.402 291 G N 0.537 109.459 108.800 0.203 0.000 2.356 291 G HA2 0.195 4.154 3.960 -0.000 0.000 0.296 291 G HA3 0.195 4.154 3.960 -0.000 0.000 0.296 291 G C 1.793 176.719 174.900 0.043 0.000 1.022 291 G CA 1.637 46.795 45.100 0.096 0.000 0.961 291 G HN 2.959 nan 8.290 nan 0.000 0.510 292 G N -3.291 105.515 108.800 0.011 0.000 2.166 292 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.260 292 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.260 292 G C 0.314 175.097 174.900 -0.195 0.000 0.986 292 G CA 0.738 45.730 45.100 -0.181 0.000 0.683 292 G HN 1.722 nan 8.290 nan 0.000 0.527 293 V N 0.781 120.642 119.914 -0.088 0.000 2.656 293 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 293 V C 0.309 176.342 176.094 -0.101 0.000 1.051 293 V CA -0.917 61.335 62.300 -0.080 0.000 0.893 293 V CB 2.049 33.851 31.823 -0.035 0.000 0.999 293 V HN 0.273 nan 8.190 nan 0.000 0.426 294 I N 4.189 124.687 120.570 -0.120 0.000 2.377 294 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 294 I C -0.025 175.962 176.117 -0.216 0.000 0.987 294 I CA -0.455 60.742 61.300 -0.172 0.000 1.185 294 I CB 1.407 39.341 38.000 -0.111 0.000 1.341 294 I HN 0.458 nan 8.210 nan 0.000 0.455 295 K N 5.368 125.524 120.400 -0.406 0.000 2.323 295 K HA 0.582 4.902 4.320 -0.000 0.000 0.259 295 K C -1.523 174.908 176.600 -0.281 0.000 0.947 295 K CA -0.572 55.507 56.287 -0.347 0.000 0.819 295 K CB 2.004 34.257 32.500 -0.411 0.000 1.109 295 K HN 0.553 nan 8.250 nan 0.000 0.429 296 c N 3.942 122.458 118.600 -0.141 0.000 2.319 296 c HA 0.503 5.073 4.570 -0.000 0.000 0.323 296 c C -0.435 173.622 174.090 -0.055 0.000 1.277 296 c CA -0.937 55.340 56.329 -0.086 0.000 1.517 296 c CB -0.301 42.155 42.510 -0.089 0.000 2.206 296 c HN 0.642 nan 8.230 nan 0.000 0.486 297 I N 3.369 123.927 120.570 -0.020 0.000 2.362 297 I HA 0.483 4.652 4.170 -0.000 0.000 0.289 297 I C 0.377 176.483 176.117 -0.019 0.000 0.994 297 I CA 0.363 61.655 61.300 -0.013 0.000 1.158 297 I CB 0.597 38.606 38.000 0.014 0.000 1.315 297 I HN 0.729 nan 8.210 nan 0.000 0.451 298 c N 4.371 122.948 118.600 -0.039 0.000 3.082 298 c HA 0.700 5.270 4.570 -0.000 0.000 0.384 298 c C 0.189 174.268 174.090 -0.018 0.000 1.832 298 c CA -1.058 55.248 56.329 -0.039 0.000 1.605 298 c CB 1.856 44.330 42.510 -0.060 0.000 2.303 298 c HN 0.733 nan 8.230 nan 0.000 0.473 299 R N 1.209 121.708 120.500 -0.002 0.000 2.409 299 R HA 0.368 4.707 4.340 -0.000 0.000 0.313 299 R C -1.688 174.690 176.300 0.130 0.000 0.953 299 R CA -0.043 56.084 56.100 0.046 0.000 0.849 299 R CB 0.880 31.188 30.300 0.014 0.000 1.171 299 R HN 0.840 nan 8.270 nan 0.000 0.458 300 D N 3.303 123.811 120.400 0.180 0.000 2.411 300 D HA 0.044 4.684 4.640 -0.000 0.000 0.225 300 D C 0.063 176.527 176.300 0.275 0.000 1.156 300 D CA -0.146 54.040 54.000 0.310 0.000 0.874 300 D CB 1.054 42.062 40.800 0.347 0.000 1.034 300 D HN 0.599 nan 8.370 nan 0.000 0.502 301 N N 3.090 121.993 118.700 0.337 0.000 2.398 301 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 301 N C 0.716 176.241 175.510 0.024 0.000 1.122 301 N CA 0.168 53.291 53.050 0.123 0.000 0.866 301 N CB 0.052 38.615 38.487 0.126 0.000 0.970 301 N HN 0.528 nan 8.380 nan 0.000 0.462 302 W N 0.399 121.544 121.300 -0.259 0.000 2.601 302 W HA 0.303 4.962 4.660 -0.000 0.000 0.292 302 W C 1.390 177.864 176.519 -0.075 0.000 1.153 302 W CA 1.111 58.310 57.345 -0.243 0.000 1.448 302 W CB 0.096 29.384 29.460 -0.286 0.000 1.113 302 W HN -0.158 nan 8.180 nan 0.000 0.548 303 K N -1.552 118.841 120.400 -0.013 0.000 2.509 303 K HA 0.260 4.580 4.320 -0.000 0.000 0.205 303 K C 0.944 177.501 176.600 -0.071 0.000 1.336 303 K CA 0.502 56.677 56.287 -0.186 0.000 0.912 303 K CB 0.108 32.361 32.500 -0.412 0.000 1.568 303 K HN -0.133 nan 8.250 nan 0.000 0.475 304 G N 0.419 109.228 108.800 0.016 0.000 2.403 304 G HA2 0.358 4.318 3.960 -0.000 0.000 0.259 304 G HA3 0.358 4.318 3.960 -0.000 0.000 0.259 304 G C 0.445 175.381 174.900 0.059 0.000 1.244 304 G CA 0.051 45.162 45.100 0.019 0.000 0.849 304 G HN 0.299 nan 8.290 nan 0.000 0.532 305 A N 2.580 125.407 122.820 0.012 0.000 2.195 305 A HA 0.132 4.452 4.320 -0.000 0.000 0.210 305 A C 1.280 178.885 177.584 0.035 0.000 1.165 305 A CA 0.063 52.114 52.037 0.022 0.000 0.806 305 A CB -0.278 18.719 19.000 -0.005 0.000 0.847 305 A HN 0.721 nan 8.150 nan 0.000 0.482 306 N N 0.614 119.343 118.700 0.049 0.000 2.524 306 N HA 0.219 4.959 4.740 -0.000 0.000 0.283 306 N C -0.649 175.003 175.510 0.237 0.000 1.142 306 N CA -0.331 52.782 53.050 0.106 0.000 0.984 306 N CB 0.505 39.038 38.487 0.077 0.000 1.155 306 N HN 0.169 nan 8.380 nan 0.000 0.467 307 R N 0.841 121.440 120.500 0.164 0.000 2.297 307 R HA 0.363 4.703 4.340 -0.000 0.000 0.308 307 R C -2.220 174.098 176.300 0.029 0.000 1.029 307 R CA -1.581 54.580 56.100 0.101 0.000 0.929 307 R CB 0.750 31.064 30.300 0.023 0.000 1.046 307 R HN 0.472 nan 8.270 nan 0.000 0.461 308 P HA 0.018 nan 4.420 nan 0.000 0.269 308 P C -0.801 176.379 177.300 -0.199 0.000 1.209 308 P CA -0.111 62.719 63.100 -0.450 0.000 0.776 308 P CB 0.671 32.111 31.700 -0.433 0.000 0.876 309 V N 4.395 124.204 119.914 -0.175 0.000 2.483 309 V HA 0.365 4.485 4.120 -0.000 0.000 0.297 309 V C 0.141 176.192 176.094 -0.072 0.000 1.027 309 V CA -0.420 61.830 62.300 -0.083 0.000 0.855 309 V CB 1.427 33.232 31.823 -0.030 0.000 0.995 309 V HN 0.369 nan 8.190 nan 0.000 0.424 310 I N 3.671 124.203 120.570 -0.063 0.000 2.336 310 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 310 I C 0.202 176.304 176.117 -0.026 0.000 0.991 310 I CA -0.037 61.245 61.300 -0.031 0.000 1.227 310 I CB 1.791 39.751 38.000 -0.066 0.000 1.366 310 I HN 0.501 nan 8.210 nan 0.000 0.466 311 T N 7.358 121.921 114.554 0.014 0.000 2.758 311 T HA 0.597 4.947 4.350 -0.000 0.000 0.285 311 T C -0.145 174.579 174.700 0.040 0.000 0.981 311 T CA -0.291 61.809 62.100 -0.001 0.000 0.965 311 T CB 0.755 69.623 68.868 0.001 0.000 0.927 311 T HN 0.271 nan 8.240 nan 0.000 0.448 312 I N 2.773 123.352 120.570 0.015 0.000 2.433 312 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 312 I C -0.296 175.842 176.117 0.036 0.000 1.001 312 I CA -0.914 60.428 61.300 0.070 0.000 1.119 312 I CB 1.815 39.849 38.000 0.056 0.000 1.289 312 I HN 0.466 nan 8.210 nan 0.000 0.438 313 D N 8.963 129.395 120.400 0.053 0.000 2.396 313 D HA 0.221 4.861 4.640 -0.000 0.000 0.225 313 D C -1.769 174.540 176.300 0.016 0.000 1.121 313 D CA -2.238 51.761 54.000 -0.001 0.000 0.853 313 D CB 1.647 42.435 40.800 -0.019 0.000 1.043 313 D HN 0.222 nan 8.370 nan 0.000 0.500 314 P HA 0.018 nan 4.420 nan 0.000 0.241 314 P C 0.651 177.977 177.300 0.043 0.000 1.191 314 P CA 0.571 63.713 63.100 0.071 0.000 0.771 314 P CB 0.787 32.530 31.700 0.072 0.000 0.929 315 E N -0.569 119.638 120.200 0.011 0.000 2.057 315 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 315 E C 1.894 178.454 176.600 -0.066 0.000 0.969 315 E CA 0.752 57.160 56.400 0.014 0.000 0.812 315 E CB -0.280 29.451 29.700 0.051 0.000 0.777 315 E HN 0.037 nan 8.360 nan 0.000 0.455 316 M N -0.073 119.478 119.600 -0.081 0.000 2.460 316 M HA 0.039 4.519 4.480 -0.000 0.000 0.263 316 M C 0.675 176.843 176.300 -0.220 0.000 1.071 316 M CA 0.849 56.079 55.300 -0.117 0.000 1.096 316 M CB -0.600 31.949 32.600 -0.085 0.000 1.408 316 M HN 0.223 nan 8.290 nan 0.000 0.463 317 M N 1.571 120.987 119.600 -0.308 0.000 2.298 317 M HA -0.181 4.298 4.480 -0.000 0.000 0.196 317 M C -0.203 175.796 176.300 -0.502 0.000 0.531 317 M CA 0.730 55.570 55.300 -0.766 0.000 0.459 317 M CB -2.373 29.565 32.600 -1.104 0.000 1.279 317 M HN 0.435 nan 8.290 nan 0.000 0.915 318 T N -2.701 111.782 114.554 -0.118 0.000 2.887 318 T HA 0.920 5.270 4.350 -0.000 0.000 0.292 318 T C -0.585 174.221 174.700 0.176 0.000 1.087 318 T CA -0.767 61.355 62.100 0.036 0.000 1.009 318 T CB 2.888 71.722 68.868 -0.055 0.000 1.203 318 T HN 0.536 nan 8.240 nan 0.000 0.518 319 H N -1.023 118.070 119.070 0.037 0.000 3.017 319 H HA 0.739 5.295 4.556 -0.000 0.000 0.346 319 H C -1.372 173.957 175.328 0.002 0.000 1.286 319 H CA -0.810 55.254 56.048 0.027 0.000 1.120 319 H CB 1.468 31.255 29.762 0.042 0.000 1.860 319 H HN 1.004 nan 8.280 nan 0.000 0.542 320 T N -0.787 113.774 114.554 0.012 0.000 2.901 320 T HA 0.644 4.994 4.350 -0.000 0.000 0.293 320 T C -0.402 174.347 174.700 0.083 0.000 1.084 320 T CA -0.613 61.465 62.100 -0.037 0.000 1.008 320 T CB 1.699 70.549 68.868 -0.031 0.000 1.170 320 T HN 0.964 nan 8.240 nan 0.000 0.509 321 S N -0.025 115.704 115.700 0.048 0.000 2.541 321 S HA 0.852 5.322 4.470 -0.000 0.000 0.271 321 S C -1.001 173.599 174.600 -0.000 0.000 1.133 321 S CA -0.884 57.333 58.200 0.028 0.000 0.876 321 S CB 2.229 65.454 63.200 0.042 0.000 1.105 321 S HN 1.340 nan 8.310 nan 0.000 0.470 322 K N 0.446 120.820 120.400 -0.043 0.000 2.160 322 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 322 K C -1.716 174.811 176.600 -0.123 0.000 0.760 322 K CA -0.960 55.330 56.287 0.005 0.000 0.613 322 K CB 0.247 32.791 32.500 0.073 0.000 1.455 322 K HN 0.536 nan 8.250 nan 0.000 0.378 323 Y N 0.601 120.912 120.300 0.018 0.000 2.549 323 Y HA 0.424 4.973 4.550 -0.000 0.000 0.339 323 Y C 0.157 176.062 175.900 0.009 0.000 1.053 323 Y CA -1.058 57.050 58.100 0.013 0.000 1.105 323 Y CB 1.507 39.971 38.460 0.006 0.000 1.258 323 Y HN 0.296 nan 8.280 nan 0.000 0.478 324 L N 1.959 123.274 121.223 0.153 0.000 2.559 324 L HA -0.155 4.185 4.340 -0.000 0.000 0.274 324 L C 0.620 177.546 176.870 0.093 0.000 1.205 324 L CA -0.033 54.863 54.840 0.093 0.000 0.907 324 L CB 0.253 42.348 42.059 0.060 0.000 1.153 324 L HN 0.961 nan 8.230 nan 0.000 0.490 325 c N 1.363 120.000 118.600 0.061 0.000 2.435 325 c HA -0.096 4.474 4.570 -0.000 0.000 0.279 325 c C 1.870 175.970 174.090 0.016 0.000 1.321 325 c CA 0.111 56.463 56.329 0.039 0.000 1.752 325 c CB -0.592 41.935 42.510 0.029 0.000 1.959 325 c HN 0.890 nan 8.230 nan 0.000 0.500 326 S N 1.259 116.965 115.700 0.010 0.000 2.558 326 S HA -0.017 4.453 4.470 -0.000 0.000 0.288 326 S C 1.452 176.044 174.600 -0.014 0.000 1.318 326 S CA -0.088 58.107 58.200 -0.008 0.000 1.056 326 S CB 0.402 63.592 63.200 -0.016 0.000 0.853 326 S HN 0.699 nan 8.310 nan 0.000 0.505 327 K N 2.617 123.004 120.400 -0.023 0.000 2.442 327 K HA 0.005 4.324 4.320 -0.000 0.000 0.198 327 K C 0.102 176.683 176.600 -0.032 0.000 1.042 327 K CA 0.635 56.906 56.287 -0.028 0.000 0.958 327 K CB -0.324 32.159 32.500 -0.029 0.000 0.766 327 K HN 0.386 nan 8.250 nan 0.000 0.474 328 V N 3.682 123.575 119.914 -0.035 0.000 2.370 328 V HA 0.120 4.240 4.120 -0.000 0.000 0.257 328 V C 0.240 176.309 176.094 -0.043 0.000 1.064 328 V CA -0.246 62.028 62.300 -0.043 0.000 0.975 328 V CB 0.093 31.884 31.823 -0.053 0.000 1.067 328 V HN 0.209 nan 8.190 nan 0.000 0.485 329 L N 5.076 126.275 121.223 -0.040 0.000 2.349 329 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 329 L C 1.234 178.075 176.870 -0.047 0.000 1.115 329 L CA 0.067 54.887 54.840 -0.033 0.000 0.820 329 L CB 1.297 43.340 42.059 -0.028 0.000 1.135 329 L HN 0.782 nan 8.230 nan 0.000 0.445 330 T N -3.893 110.636 114.554 -0.043 0.000 3.058 330 T HA 0.139 4.489 4.350 -0.000 0.000 0.278 330 T C 0.207 174.880 174.700 -0.044 0.000 0.974 330 T CA -0.515 61.541 62.100 -0.074 0.000 0.893 330 T CB 0.183 68.981 68.868 -0.118 0.000 1.138 330 T HN 0.391 nan 8.240 nan 0.000 0.529 331 D N 1.806 122.202 120.400 -0.007 0.000 2.423 331 D HA 0.538 5.178 4.640 -0.000 0.000 0.255 331 D C -0.619 175.696 176.300 0.026 0.000 1.174 331 D CA 0.165 54.177 54.000 0.020 0.000 1.008 331 D CB 1.719 42.545 40.800 0.043 0.000 1.101 331 D HN 0.168 nan 8.370 nan 0.000 0.516 332 T N 0.583 115.168 114.554 0.052 0.000 2.991 332 T HA 0.339 4.689 4.350 -0.000 0.000 0.303 332 T C -0.535 174.208 174.700 0.072 0.000 1.015 332 T CA -0.684 61.453 62.100 0.062 0.000 1.007 332 T CB 1.283 70.205 68.868 0.091 0.000 1.034 332 T HN 0.174 nan 8.240 nan 0.000 0.446 333 S N 2.894 118.629 115.700 0.060 0.000 2.603 333 S HA 0.662 5.131 4.470 -0.000 0.000 0.268 333 S C 0.344 174.961 174.600 0.028 0.000 1.317 333 S CA -0.953 57.273 58.200 0.045 0.000 1.012 333 S CB 0.554 63.778 63.200 0.040 0.000 0.926 333 S HN 0.810 nan 8.310 nan 0.000 0.539 334 R N 0.305 120.815 120.500 0.017 0.000 2.774 334 R HA 0.652 4.992 4.340 -0.000 0.000 0.272 334 R C -3.386 172.912 176.300 -0.004 0.000 1.000 334 R CA -2.036 54.066 56.100 0.002 0.000 0.906 334 R CB 0.871 31.169 30.300 -0.004 0.000 1.227 334 R HN 0.307 nan 8.270 nan 0.000 0.468 335 P HA 0.124 nan 4.420 nan 0.000 0.293 335 P C -0.843 176.446 177.300 -0.018 0.000 1.304 335 P CA -0.626 62.464 63.100 -0.016 0.000 0.767 335 P CB 0.387 32.073 31.700 -0.024 0.000 1.247 336 N N 0.476 119.165 118.700 -0.019 0.000 2.374 336 N HA -0.001 4.739 4.740 -0.000 0.000 0.241 336 N C -0.121 175.374 175.510 -0.025 0.000 1.262 336 N CA 0.489 53.526 53.050 -0.020 0.000 0.880 336 N CB -0.393 38.083 38.487 -0.019 0.000 1.105 336 N HN 0.341 nan 8.380 nan 0.000 0.438 337 D N 1.998 122.382 120.400 -0.027 0.000 2.450 337 D HA 0.107 4.747 4.640 -0.000 0.000 0.247 337 D C -1.525 174.758 176.300 -0.029 0.000 1.162 337 D CA -0.425 53.557 54.000 -0.030 0.000 0.879 337 D CB 0.261 41.042 40.800 -0.031 0.000 1.163 337 D HN 0.338 nan 8.370 nan 0.000 0.472 338 P HA 0.110 nan 4.420 nan 0.000 0.279 338 P C 0.638 177.920 177.300 -0.029 0.000 1.282 338 P CA -0.415 62.667 63.100 -0.031 0.000 0.788 338 P CB 0.692 32.370 31.700 -0.037 0.000 1.139 339 T N -0.741 113.796 114.554 -0.027 0.000 2.720 339 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 339 T C 0.579 175.264 174.700 -0.025 0.000 1.037 339 T CA 1.467 63.552 62.100 -0.025 0.000 1.144 339 T CB -0.566 68.288 68.868 -0.022 0.000 0.864 339 T HN 0.566 nan 8.240 nan 0.000 0.444 340 N N -0.314 118.369 118.700 -0.028 0.000 2.229 340 N HA 0.548 5.287 4.740 -0.000 0.000 0.298 340 N C -0.053 175.437 175.510 -0.033 0.000 1.114 340 N CA -0.841 52.193 53.050 -0.027 0.000 0.776 340 N CB 1.970 40.442 38.487 -0.025 0.000 1.501 340 N HN 0.193 nan 8.380 nan 0.000 0.474 341 G N -0.055 108.728 108.800 -0.029 0.000 2.508 341 G HA2 0.242 4.201 3.960 -0.000 0.000 0.278 341 G HA3 0.242 4.201 3.960 -0.000 0.000 0.278 341 G C -0.754 174.124 174.900 -0.037 0.000 1.389 341 G CA -0.303 44.777 45.100 -0.033 0.000 1.050 341 G HN 0.662 nan 8.290 nan 0.000 0.522 342 N N -2.252 116.423 118.700 -0.042 0.000 2.519 342 N HA 0.195 4.935 4.740 -0.000 0.000 0.291 342 N C 0.567 176.072 175.510 -0.009 0.000 1.107 342 N CA -0.820 52.200 53.050 -0.049 0.000 0.904 342 N CB 1.179 39.601 38.487 -0.107 0.000 1.500 342 N HN 0.306 nan 8.380 nan 0.000 0.510 343 c N 1.229 119.845 118.600 0.026 0.000 2.432 343 c HA 0.019 4.589 4.570 -0.000 0.000 0.280 343 c C 0.967 175.138 174.090 0.135 0.000 1.353 343 c CA 0.450 56.826 56.329 0.078 0.000 1.766 343 c CB -0.568 41.974 42.510 0.053 0.000 1.924 343 c HN 0.731 nan 8.230 nan 0.000 0.509 344 D N -0.426 120.024 120.400 0.083 0.000 2.540 344 D HA 0.395 5.035 4.640 -0.000 0.000 0.229 344 D C 0.176 176.520 176.300 0.073 0.000 1.250 344 D CA 0.448 54.518 54.000 0.117 0.000 0.817 344 D CB 0.772 41.611 40.800 0.064 0.000 1.060 344 D HN 0.463 nan 8.370 nan 0.000 0.508 345 A N 1.561 124.310 122.820 -0.117 0.000 2.604 345 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 345 A C -2.862 174.233 177.584 -0.814 0.000 1.067 345 A CA -1.185 50.653 52.037 -0.332 0.000 0.683 345 A CB 1.822 20.711 19.000 -0.185 0.000 1.281 345 A HN -0.254 nan 8.150 nan 0.000 0.407 346 P HA 0.276 nan 4.420 nan 0.000 0.268 346 P C -0.713 176.343 177.300 -0.407 0.000 1.205 346 P CA 0.440 63.068 63.100 -0.787 0.000 0.771 346 P CB 0.410 31.847 31.700 -0.439 0.000 0.858 347 I N 3.013 123.404 120.570 -0.298 0.000 2.297 347 I HA 0.154 4.323 4.170 -0.000 0.000 0.291 347 I C 1.429 177.467 176.117 -0.132 0.000 1.033 347 I CA -0.245 60.950 61.300 -0.175 0.000 1.253 347 I CB 0.951 38.877 38.000 -0.123 0.000 1.396 347 I HN 0.352 nan 8.210 nan 0.000 0.476 348 T N 2.424 116.903 114.554 -0.125 0.000 2.862 348 T HA 0.888 5.238 4.350 -0.000 0.000 0.276 348 T C 0.266 174.924 174.700 -0.070 0.000 0.974 348 T CA -0.201 61.836 62.100 -0.104 0.000 0.966 348 T CB 1.954 70.746 68.868 -0.127 0.000 1.072 348 T HN 1.016 nan 8.240 nan 0.000 0.538 349 G N -1.471 107.297 108.800 -0.054 0.000 2.371 349 G HA2 0.526 4.486 3.960 -0.000 0.000 0.663 349 G HA3 0.526 4.486 3.960 -0.000 0.000 0.663 349 G C -0.036 174.852 174.900 -0.020 0.000 1.311 349 G CA -0.105 44.974 45.100 -0.036 0.000 0.985 349 G HN 2.614 nan 8.290 nan 0.000 0.566 350 G N -1.867 106.926 108.800 -0.012 0.000 2.619 350 G HA2 0.540 4.499 3.960 -0.000 0.000 0.686 350 G HA3 0.540 4.499 3.960 -0.000 0.000 0.686 350 G C -0.185 174.719 174.900 0.007 0.000 1.256 350 G CA 1.028 46.128 45.100 0.000 0.000 0.826 350 G HN 2.646 nan 8.290 nan 0.000 0.619 351 S N 0.414 116.123 115.700 0.015 0.000 2.543 351 S HA 0.816 5.285 4.470 -0.000 0.000 0.274 351 S C -2.370 172.247 174.600 0.028 0.000 1.149 351 S CA 0.064 58.275 58.200 0.019 0.000 0.866 351 S CB 2.410 65.618 63.200 0.013 0.000 1.111 351 S HN 0.799 nan 8.310 nan 0.000 0.457 352 P HA 0.371 nan 4.420 nan 0.000 0.275 352 P C -0.778 176.541 177.300 0.031 0.000 1.310 352 P CA 0.125 63.242 63.100 0.027 0.000 0.904 352 P CB 0.116 31.831 31.700 0.025 0.000 1.381 353 D N 1.181 121.606 120.400 0.041 0.000 2.252 353 D HA 0.214 4.854 4.640 -0.000 0.000 0.245 353 D C -1.725 174.607 176.300 0.053 0.000 1.009 353 D CA -1.626 52.403 54.000 0.049 0.000 0.870 353 D CB 2.262 43.099 40.800 0.061 0.000 1.251 353 D HN 0.018 nan 8.370 nan 0.000 0.460 354 P HA 0.119 nan 4.420 nan 0.000 0.240 354 P C 0.266 177.610 177.300 0.073 0.000 1.190 354 P CA 0.290 63.425 63.100 0.059 0.000 0.781 354 P CB 0.978 32.712 31.700 0.058 0.000 0.931 355 G N -1.519 107.332 108.800 0.084 0.000 2.355 355 G HA2 0.406 4.366 3.960 -0.000 0.000 0.296 355 G HA3 0.406 4.366 3.960 -0.000 0.000 0.296 355 G C -2.425 172.539 174.900 0.107 0.000 1.507 355 G CA -0.306 44.847 45.100 0.089 0.000 0.823 355 G HN 0.021 nan 8.290 nan 0.000 0.569 356 V N 0.145 120.106 119.914 0.080 0.000 2.971 356 V HA 0.745 4.865 4.120 -0.000 0.000 0.309 356 V C -0.078 175.950 176.094 -0.111 0.000 1.130 356 V CA -1.061 61.285 62.300 0.077 0.000 0.964 356 V CB 1.911 33.848 31.823 0.190 0.000 1.029 356 V HN 1.022 nan 8.190 nan 0.000 0.427 357 K N 3.300 123.388 120.400 -0.520 0.000 2.448 357 K HA 0.541 4.860 4.320 -0.000 0.000 0.278 357 K C 0.076 176.600 176.600 -0.127 0.000 1.009 357 K CA 0.957 56.953 56.287 -0.484 0.000 0.995 357 K CB 0.614 32.541 32.500 -0.956 0.000 0.917 357 K HN 1.026 nan 8.250 nan 0.000 0.481 358 G N 2.396 111.186 108.800 -0.017 0.000 2.782 358 G HA2 0.670 4.630 3.960 -0.000 0.000 0.304 358 G HA3 0.670 4.630 3.960 -0.000 0.000 0.304 358 G C -1.610 173.388 174.900 0.163 0.000 1.315 358 G CA -0.784 44.384 45.100 0.113 0.000 0.791 358 G HN 0.660 nan 8.290 nan 0.000 0.519 359 F N -2.217 117.696 119.950 -0.062 0.000 2.773 359 F HA 0.904 5.431 4.527 -0.000 0.000 0.314 359 F C -0.702 175.031 175.800 -0.112 0.000 1.160 359 F CA -0.992 56.938 58.000 -0.117 0.000 0.920 359 F CB 1.271 40.162 39.000 -0.183 0.000 1.323 359 F HN 1.350 nan 8.300 nan 0.000 0.457 360 A N 1.001 123.690 122.820 -0.217 0.000 2.612 360 A HA 0.804 5.123 4.320 -0.000 0.000 0.293 360 A C -2.426 175.099 177.584 -0.099 0.000 1.075 360 A CA -0.707 51.195 52.037 -0.225 0.000 0.680 360 A CB 1.156 20.091 19.000 -0.108 0.000 1.279 360 A HN 0.734 nan 8.150 nan 0.000 0.411 361 F N 0.384 120.448 119.950 0.190 0.000 2.444 361 F HA 0.644 5.171 4.527 -0.000 0.000 0.342 361 F C -0.170 175.755 175.800 0.210 0.000 1.121 361 F CA -0.363 57.692 58.000 0.090 0.000 0.997 361 F CB 1.957 40.960 39.000 0.006 0.000 1.130 361 F HN 0.328 nan 8.300 nan 0.000 0.454 362 L N 3.575 125.069 121.223 0.452 0.000 2.377 362 L HA 0.420 4.760 4.340 -0.000 0.000 0.270 362 L C -1.092 175.963 176.870 0.307 0.000 0.991 362 L CA -0.294 54.737 54.840 0.318 0.000 0.851 362 L CB 1.537 43.747 42.059 0.252 0.000 1.218 362 L HN 0.533 nan 8.230 nan 0.000 0.420 363 D N 2.735 123.271 120.400 0.227 0.000 3.285 363 D HA 0.400 5.040 4.640 -0.000 0.000 0.273 363 D C 0.657 177.029 176.300 0.120 0.000 1.295 363 D CA 0.698 54.811 54.000 0.189 0.000 0.762 363 D CB 0.651 41.580 40.800 0.216 0.000 1.379 363 D HN 0.656 nan 8.370 nan 0.000 0.612 364 G N 1.439 110.294 108.800 0.092 0.000 2.583 364 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.292 364 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.292 364 G C 1.056 175.976 174.900 0.033 0.000 1.203 364 G CA 0.464 45.596 45.100 0.054 0.000 0.987 364 G HN 0.423 nan 8.290 nan 0.000 0.554 365 E N 0.588 120.799 120.200 0.017 0.000 2.160 365 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 365 E C 1.564 178.152 176.600 -0.021 0.000 0.991 365 E CA 1.002 57.395 56.400 -0.011 0.000 0.810 365 E CB -0.089 29.605 29.700 -0.010 0.000 0.742 365 E HN 0.329 nan 8.360 nan 0.000 0.466 366 N N 0.943 119.662 118.700 0.032 0.000 3.243 366 N HA 0.007 4.746 4.740 -0.000 0.000 0.310 366 N C -1.603 173.997 175.510 0.150 0.000 1.313 366 N CA 0.029 53.128 53.050 0.083 0.000 1.204 366 N CB 0.217 38.768 38.487 0.106 0.000 1.483 366 N HN -0.163 nan 8.380 nan 0.000 0.553 367 S N 0.485 116.205 115.700 0.034 0.000 2.482 367 S HA 0.523 4.993 4.470 -0.000 0.000 0.303 367 S C -1.203 173.400 174.600 0.006 0.000 1.091 367 S CA -0.572 57.695 58.200 0.111 0.000 1.057 367 S CB 0.930 64.167 63.200 0.062 0.000 1.031 367 S HN 0.337 nan 8.310 nan 0.000 0.485 368 W N 2.631 124.043 121.300 0.188 0.000 2.957 368 W HA 0.592 5.252 4.660 -0.000 0.000 0.336 368 W C -1.231 175.305 176.519 0.028 0.000 1.087 368 W CA -0.601 56.856 57.345 0.187 0.000 1.235 368 W CB 1.068 30.795 29.460 0.446 0.000 1.399 368 W HN 0.329 nan 8.180 nan 0.000 0.480 369 L N 3.542 124.839 121.223 0.123 0.000 2.313 369 L HA 0.775 5.115 4.340 -0.000 0.000 0.283 369 L C 0.696 177.386 176.870 -0.299 0.000 1.013 369 L CA -0.939 53.811 54.840 -0.150 0.000 0.816 369 L CB 1.173 43.158 42.059 -0.124 0.000 1.236 369 L HN 0.567 nan 8.230 nan 0.000 0.419 370 G N 2.759 111.148 108.800 -0.684 0.000 2.420 370 G HA2 0.742 4.702 3.960 -0.000 0.000 0.284 370 G HA3 0.742 4.702 3.960 -0.000 0.000 0.284 370 G C -0.638 173.919 174.900 -0.571 0.000 1.177 370 G CA -0.440 44.279 45.100 -0.635 0.000 0.841 370 G HN 0.808 nan 8.290 nan 0.000 0.527 371 R N -0.709 119.258 120.500 -0.888 0.000 2.690 371 R HA 0.544 4.884 4.340 -0.000 0.000 0.269 371 R C -0.352 175.435 176.300 -0.855 0.000 1.037 371 R CA -0.798 54.908 56.100 -0.658 0.000 0.877 371 R CB 0.346 30.453 30.300 -0.322 0.000 1.255 371 R HN 0.644 nan 8.270 nan 0.000 0.467 372 T N -0.528 113.820 114.554 -0.342 0.000 2.932 372 T HA 0.176 4.526 4.350 -0.000 0.000 0.312 372 T C 1.474 176.100 174.700 -0.123 0.000 1.071 372 T CA -0.462 61.572 62.100 -0.110 0.000 1.128 372 T CB 0.412 69.332 68.868 0.088 0.000 0.984 372 T HN 0.561 nan 8.240 nan 0.000 0.549 373 I N 1.277 121.813 120.570 -0.058 0.000 2.252 373 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 373 I C 2.027 178.131 176.117 -0.021 0.000 1.102 373 I CA 0.726 62.000 61.300 -0.044 0.000 1.385 373 I CB -0.350 37.641 38.000 -0.014 0.000 1.064 373 I HN 0.706 nan 8.210 nan 0.000 0.414 374 S N 1.397 117.101 115.700 0.007 0.000 2.549 374 S HA -0.015 4.455 4.470 -0.000 0.000 0.283 374 S C 1.309 175.921 174.600 0.021 0.000 1.320 374 S CA -0.453 57.759 58.200 0.021 0.000 1.058 374 S CB 0.589 63.821 63.200 0.053 0.000 0.882 374 S HN 0.356 nan 8.310 nan 0.000 0.498 375 K N 3.039 123.448 120.400 0.014 0.000 2.366 375 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 375 K C 0.145 176.764 176.600 0.031 0.000 1.044 375 K CA 0.982 57.277 56.287 0.013 0.000 0.973 375 K CB 0.036 32.537 32.500 0.001 0.000 0.767 375 K HN 0.481 nan 8.250 nan 0.000 0.475 376 D N 0.524 120.952 120.400 0.046 0.000 2.394 376 D HA 0.075 4.714 4.640 -0.000 0.000 0.226 376 D C 0.193 176.546 176.300 0.089 0.000 0.990 376 D CA 0.347 54.383 54.000 0.059 0.000 0.902 376 D CB 0.514 41.347 40.800 0.055 0.000 1.038 376 D HN 0.055 nan 8.370 nan 0.000 0.499 377 S N -0.330 115.442 115.700 0.120 0.000 2.638 377 S HA 0.451 4.920 4.470 -0.000 0.000 0.302 377 S C 0.087 174.818 174.600 0.219 0.000 1.096 377 S CA -0.770 57.542 58.200 0.185 0.000 0.953 377 S CB 2.369 65.735 63.200 0.276 0.000 1.107 377 S HN -0.063 nan 8.310 nan 0.000 0.503 378 R N 2.004 122.668 120.500 0.273 0.000 4.556 378 R HA 0.206 4.545 4.340 -0.000 0.000 0.197 378 R C -0.200 176.362 176.300 0.438 0.000 1.791 378 R CA -0.150 56.136 56.100 0.310 0.000 1.526 378 R CB -0.412 30.048 30.300 0.268 0.000 1.410 378 R HN 0.579 nan 8.270 nan 0.000 0.826 379 S N -0.725 115.166 115.700 0.318 0.000 2.536 379 S HA 0.781 5.251 4.470 -0.000 0.000 0.287 379 S C 0.226 174.895 174.600 0.115 0.000 1.101 379 S CA -0.316 57.997 58.200 0.188 0.000 0.950 379 S CB 2.270 65.433 63.200 -0.061 0.000 1.056 379 S HN 0.573 nan 8.310 nan 0.000 0.481 380 G N 0.870 109.732 108.800 0.105 0.000 2.880 380 G HA2 0.015 3.975 3.960 -0.000 0.000 0.617 380 G HA3 0.015 3.975 3.960 -0.000 0.000 0.617 380 G C -1.207 173.842 174.900 0.248 0.000 1.493 380 G CA -0.244 44.932 45.100 0.128 0.000 0.916 380 G HN 1.631 nan 8.290 nan 0.000 0.553 381 Y N 0.539 120.907 120.300 0.113 0.000 2.436 381 Y HA 0.537 5.087 4.550 -0.000 0.000 0.327 381 Y C -0.309 175.655 175.900 0.107 0.000 1.138 381 Y CA -0.202 57.969 58.100 0.119 0.000 1.042 381 Y CB 1.605 40.171 38.460 0.177 0.000 1.302 381 Y HN 1.001 nan 8.280 nan 0.000 0.439 382 E N 5.271 125.318 120.200 -0.254 0.000 2.317 382 E HA 0.574 4.924 4.350 -0.000 0.000 0.270 382 E C -1.570 174.946 176.600 -0.140 0.000 0.885 382 E CA -1.262 55.101 56.400 -0.062 0.000 0.760 382 E CB 2.375 32.043 29.700 -0.053 0.000 1.227 382 E HN 0.346 nan 8.360 nan 0.000 0.434 383 M N 2.857 122.487 119.600 0.050 0.000 2.238 383 M HA 0.428 4.907 4.480 -0.000 0.000 0.350 383 M C -0.912 175.602 176.300 0.357 0.000 1.138 383 M CA -0.699 54.667 55.300 0.109 0.000 1.040 383 M CB 0.873 33.456 32.600 -0.028 0.000 1.639 383 M HN 0.612 nan 8.290 nan 0.000 0.451 384 L N 2.712 124.109 121.223 0.290 0.000 2.349 384 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 384 L C 0.092 176.894 176.870 -0.113 0.000 0.996 384 L CA -0.647 54.255 54.840 0.103 0.000 0.825 384 L CB 2.013 44.061 42.059 -0.019 0.000 1.243 384 L HN 0.622 nan 8.230 nan 0.000 0.412 385 K N 3.181 123.200 120.400 -0.634 0.000 2.310 385 K HA 0.380 4.699 4.320 -0.000 0.000 0.290 385 K C -0.793 175.504 176.600 -0.505 0.000 1.077 385 K CA -0.266 55.330 56.287 -1.153 0.000 0.922 385 K CB 1.180 32.710 32.500 -1.617 0.000 1.057 385 K HN 0.412 nan 8.250 nan 0.000 0.479 386 V N 6.502 126.207 119.914 -0.347 0.000 2.327 386 V HA 0.415 4.534 4.120 -0.000 0.000 0.272 386 V C -2.707 173.302 176.094 -0.140 0.000 1.019 386 V CA -2.604 59.584 62.300 -0.188 0.000 0.814 386 V CB 1.144 32.896 31.823 -0.117 0.000 1.040 386 V HN 0.655 nan 8.190 nan 0.000 0.440 387 P HA 0.225 nan 4.420 nan 0.000 0.265 387 P C 0.166 177.439 177.300 -0.044 0.000 1.193 387 P CA 0.566 63.616 63.100 -0.084 0.000 0.765 387 P CB 0.185 31.839 31.700 -0.078 0.000 0.823 388 N N 0.933 119.624 118.700 -0.016 0.000 2.714 388 N HA -0.254 4.485 4.740 -0.000 0.000 0.250 388 N C 1.020 176.532 175.510 0.003 0.000 1.117 388 N CA 1.032 54.083 53.050 0.002 0.000 0.719 388 N CB -1.536 36.950 38.487 -0.001 0.000 1.081 388 N HN 0.533 nan 8.380 nan 0.000 0.557 389 A N 0.531 123.351 122.820 0.000 0.000 1.948 389 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 389 A C 2.073 179.671 177.584 0.023 0.000 1.177 389 A CA 2.032 54.071 52.037 0.003 0.000 0.636 389 A CB -0.336 18.663 19.000 -0.001 0.000 0.815 389 A HN 0.562 nan 8.150 nan 0.000 0.449 390 E N -0.936 119.288 120.200 0.040 0.000 2.274 390 E HA -0.130 4.219 4.350 -0.000 0.000 0.194 390 E C 1.708 178.332 176.600 0.040 0.000 0.996 390 E CA 1.566 57.995 56.400 0.049 0.000 0.840 390 E CB 0.060 29.800 29.700 0.066 0.000 0.772 390 E HN 0.792 nan 8.360 nan 0.000 0.491 391 T N -3.087 111.485 114.554 0.030 0.000 2.954 391 T HA 0.054 4.403 4.350 -0.000 0.000 0.252 391 T C 0.192 174.901 174.700 0.015 0.000 0.983 391 T CA -0.312 61.803 62.100 0.024 0.000 0.941 391 T CB 0.378 69.259 68.868 0.023 0.000 1.141 391 T HN -0.100 nan 8.240 nan 0.000 0.500 392 D N 1.826 122.232 120.400 0.009 0.000 2.414 392 D HA 0.318 4.958 4.640 -0.000 0.000 0.232 392 D C 1.351 177.649 176.300 -0.003 0.000 1.070 392 D CA -1.119 52.882 54.000 0.001 0.000 0.839 392 D CB 1.058 41.855 40.800 -0.005 0.000 1.079 392 D HN 0.433 nan 8.370 nan 0.000 0.521 393 I N 0.556 121.123 120.570 -0.004 0.000 2.756 393 I HA -0.109 4.061 4.170 -0.000 0.000 0.262 393 I C 1.016 177.124 176.117 -0.015 0.000 1.225 393 I CA 0.779 62.074 61.300 -0.009 0.000 1.472 393 I CB -0.018 37.975 38.000 -0.011 0.000 1.094 393 I HN 0.286 nan 8.210 nan 0.000 0.454 394 Q N 1.819 121.610 119.800 -0.015 0.000 2.319 394 Q HA 0.140 4.479 4.340 -0.000 0.000 0.202 394 Q C 0.791 176.777 176.000 -0.023 0.000 0.896 394 Q CA 0.248 56.039 55.803 -0.019 0.000 0.942 394 Q CB 0.371 29.098 28.738 -0.017 0.000 1.083 394 Q HN 0.699 nan 8.270 nan 0.000 0.510 395 S N 0.244 115.930 115.700 -0.023 0.000 2.546 395 S HA 0.348 4.817 4.470 -0.000 0.000 0.290 395 S C 0.348 174.925 174.600 -0.039 0.000 1.290 395 S CA -0.041 58.140 58.200 -0.032 0.000 1.069 395 S CB 1.173 64.354 63.200 -0.030 0.000 0.846 395 S HN 0.250 nan 8.310 nan 0.000 0.495 396 G N 1.898 110.669 108.800 -0.047 0.000 2.714 396 G HA2 0.708 4.668 3.960 -0.000 0.000 0.292 396 G HA3 0.708 4.668 3.960 -0.000 0.000 0.292 396 G C -3.344 171.513 174.900 -0.071 0.000 1.308 396 G CA -2.070 42.998 45.100 -0.052 0.000 0.964 396 G HN 0.576 nan 8.290 nan 0.000 0.484 397 P HA 0.263 nan 4.420 nan 0.000 0.275 397 P C 0.757 178.003 177.300 -0.091 0.000 1.227 397 P CA -0.336 62.706 63.100 -0.097 0.000 0.781 397 P CB 1.056 32.715 31.700 -0.069 0.000 0.906 398 I N -0.538 119.954 120.570 -0.129 0.000 4.181 398 I HA 0.270 4.440 4.170 -0.000 0.000 0.331 398 I C 0.073 176.143 176.117 -0.079 0.000 1.312 398 I CA -0.023 61.219 61.300 -0.098 0.000 1.146 398 I CB 0.297 38.233 38.000 -0.106 0.000 1.074 398 I HN 0.265 nan 8.210 nan 0.000 0.402 399 S N 1.168 116.805 115.700 -0.106 0.000 2.588 399 S HA 0.610 5.080 4.470 -0.000 0.000 0.269 399 S C -1.117 173.513 174.600 0.050 0.000 1.157 399 S CA -0.690 57.504 58.200 -0.010 0.000 0.824 399 S CB 1.669 64.889 63.200 0.033 0.000 1.126 399 S HN 0.587 nan 8.310 nan 0.000 0.464 400 N N -0.268 118.538 118.700 0.176 0.000 2.396 400 N HA 0.561 5.301 4.740 -0.000 0.000 0.275 400 N C -1.637 174.067 175.510 0.324 0.000 1.218 400 N CA -0.789 52.411 53.050 0.249 0.000 0.812 400 N CB 2.077 40.646 38.487 0.137 0.000 1.592 400 N HN 0.824 nan 8.380 nan 0.000 0.480 401 Q N 1.739 121.760 119.800 0.370 0.000 2.274 401 Q HA 0.395 4.735 4.340 -0.000 0.000 0.268 401 Q C -1.688 174.478 176.000 0.277 0.000 1.015 401 Q CA -0.890 55.117 55.803 0.339 0.000 0.775 401 Q CB 2.035 31.038 28.738 0.441 0.000 1.256 401 Q HN 0.585 nan 8.270 nan 0.000 0.442 402 V N 6.154 126.211 119.914 0.238 0.000 2.508 402 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 402 V C 0.920 177.194 176.094 0.300 0.000 1.041 402 V CA 0.134 62.566 62.300 0.221 0.000 1.016 402 V CB 0.827 32.749 31.823 0.165 0.000 0.984 402 V HN 0.830 nan 8.190 nan 0.000 0.478 403 I N 4.859 125.640 120.570 0.352 0.000 2.927 403 I HA 0.173 4.343 4.170 -0.000 0.000 0.268 403 I C 0.492 176.856 176.117 0.412 0.000 1.153 403 I CA 1.161 62.735 61.300 0.457 0.000 1.459 403 I CB 0.398 38.722 38.000 0.542 0.000 1.149 403 I HN 0.333 nan 8.210 nan 0.000 0.443 404 V N 3.290 123.412 119.914 0.346 0.000 2.569 404 V HA 0.234 4.353 4.120 -0.000 0.000 0.301 404 V C -0.480 175.723 176.094 0.181 0.000 1.044 404 V CA -1.178 61.291 62.300 0.281 0.000 0.874 404 V CB 1.799 33.804 31.823 0.304 0.000 1.002 404 V HN 0.396 nan 8.190 nan 0.000 0.424 405 N N 2.903 121.668 118.700 0.108 0.000 2.371 405 N HA -0.017 4.722 4.740 -0.000 0.000 0.243 405 N C 0.673 176.165 175.510 -0.030 0.000 1.287 405 N CA 0.040 53.105 53.050 0.025 0.000 0.911 405 N CB 0.221 38.691 38.487 -0.028 0.000 1.142 405 N HN 0.679 nan 8.380 nan 0.000 0.451 406 N N -0.760 117.910 118.700 -0.050 0.000 2.521 406 N HA -0.085 4.654 4.740 -0.000 0.000 0.188 406 N C 0.013 175.414 175.510 -0.183 0.000 1.146 406 N CA 0.090 53.089 53.050 -0.086 0.000 0.893 406 N CB 0.129 38.582 38.487 -0.058 0.000 0.975 406 N HN 0.517 nan 8.380 nan 0.000 0.451 407 Q N -0.330 119.342 119.800 -0.214 0.000 2.319 407 Q HA 0.241 4.581 4.340 -0.000 0.000 0.202 407 Q C -0.609 175.135 176.000 -0.426 0.000 0.896 407 Q CA 0.195 55.820 55.803 -0.298 0.000 0.942 407 Q CB 0.542 29.138 28.738 -0.236 0.000 1.083 407 Q HN 0.201 nan 8.270 nan 0.000 0.510 408 N N -0.753 117.723 118.700 -0.372 0.000 2.292 408 N HA 0.251 4.990 4.740 -0.000 0.000 0.303 408 N C -1.149 174.178 175.510 -0.305 0.000 1.140 408 N CA -0.560 52.275 53.050 -0.358 0.000 0.788 408 N CB 1.006 39.412 38.487 -0.135 0.000 1.361 408 N HN 0.076 nan 8.380 nan 0.000 0.489 409 W N 1.172 122.519 121.300 0.080 0.000 2.216 409 W HA 0.143 4.803 4.660 -0.000 0.000 0.326 409 W C 1.452 178.055 176.519 0.140 0.000 1.319 409 W CA -0.377 57.026 57.345 0.097 0.000 1.213 409 W CB 0.551 30.056 29.460 0.075 0.000 1.171 409 W HN 0.513 nan 8.180 nan 0.000 0.557 410 S N 2.119 118.079 115.700 0.433 0.000 4.093 410 S HA 0.968 5.437 4.470 -0.000 0.000 0.213 410 S C 0.383 175.177 174.600 0.322 0.000 1.039 410 S CA -0.052 58.361 58.200 0.354 0.000 1.687 410 S CB 0.964 64.396 63.200 0.387 0.000 0.882 410 S HN 0.918 nan 8.310 nan 0.000 0.701 411 G N -0.830 108.165 108.800 0.325 0.000 2.398 411 G HA2 0.305 4.265 3.960 -0.000 0.000 0.251 411 G HA3 0.305 4.265 3.960 -0.000 0.000 0.251 411 G C -1.666 173.497 174.900 0.437 0.000 1.277 411 G CA -0.817 44.469 45.100 0.310 0.000 0.927 411 G HN 0.517 nan 8.290 nan 0.000 0.477 412 Y N 1.451 121.872 120.300 0.203 0.000 2.652 412 Y HA 0.466 5.015 4.550 -0.000 0.000 0.344 412 Y C 1.356 177.343 175.900 0.145 0.000 1.254 412 Y CA -0.176 58.049 58.100 0.209 0.000 1.480 412 Y CB 0.766 39.381 38.460 0.259 0.000 1.345 412 Y HN 0.850 nan 8.280 nan 0.000 0.617 413 S N -0.026 115.768 115.700 0.157 0.000 2.564 413 S HA 0.958 5.428 4.470 -0.000 0.000 0.274 413 S C -0.432 173.958 174.600 -0.351 0.000 1.124 413 S CA -0.373 57.679 58.200 -0.247 0.000 0.869 413 S CB 2.334 65.482 63.200 -0.086 0.000 1.105 413 S HN 1.031 nan 8.310 nan 0.000 0.472 414 G N -0.333 107.834 108.800 -1.055 0.000 2.623 414 G HA2 0.751 4.711 3.960 -0.000 0.000 0.290 414 G HA3 0.751 4.711 3.960 -0.000 0.000 0.290 414 G C -1.224 173.312 174.900 -0.606 0.000 1.437 414 G CA -0.368 44.409 45.100 -0.538 0.000 0.798 414 G HN 1.222 nan 8.290 nan 0.000 0.488 415 A N -0.402 122.286 122.820 -0.221 0.000 2.306 415 A HA 0.934 5.254 4.320 -0.000 0.000 0.314 415 A C -0.613 177.162 177.584 0.317 0.000 1.164 415 A CA -0.437 51.542 52.037 -0.097 0.000 0.822 415 A CB 0.333 19.218 19.000 -0.191 0.000 1.130 415 A HN 1.841 nan 8.150 nan 0.000 0.496 416 F N -0.386 119.670 119.950 0.177 0.000 2.662 416 F HA 0.861 5.388 4.527 -0.000 0.000 0.312 416 F C -1.266 174.581 175.800 0.078 0.000 1.113 416 F CA -1.558 56.539 58.000 0.162 0.000 0.951 416 F CB 1.139 40.224 39.000 0.142 0.000 1.344 416 F HN 0.401 nan 8.300 nan 0.000 0.462 417 I N 1.178 121.696 120.570 -0.088 0.000 2.722 417 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 417 I C -1.435 174.436 176.117 -0.410 0.000 1.161 417 I CA -0.742 60.235 61.300 -0.537 0.000 1.032 417 I CB 2.123 39.489 38.000 -1.055 0.000 1.244 417 I HN 0.640 nan 8.210 nan 0.000 0.421 418 D N 4.692 124.975 120.400 -0.195 0.000 2.470 418 D HA 0.091 4.730 4.640 -0.000 0.000 0.226 418 D C 0.504 176.730 176.300 -0.123 0.000 1.196 418 D CA 0.196 54.221 54.000 0.042 0.000 0.979 418 D CB 0.209 41.094 40.800 0.142 0.000 1.059 418 D HN 0.277 nan 8.370 nan 0.000 0.515 419 Y N 1.144 121.297 120.300 -0.244 0.000 2.574 419 Y HA -0.029 4.520 4.550 -0.000 0.000 0.294 419 Y C 1.344 176.910 175.900 -0.556 0.000 1.142 419 Y CA 0.427 58.086 58.100 -0.734 0.000 1.314 419 Y CB 0.075 37.705 38.460 -1.383 0.000 0.991 419 Y HN 0.560 nan 8.280 nan 0.000 0.555 420 W N -0.260 121.169 121.300 0.214 0.000 3.123 420 W HA 0.550 5.210 4.660 -0.000 0.000 0.383 420 W C 0.595 177.193 176.519 0.132 0.000 1.102 420 W CA -0.469 56.979 57.345 0.171 0.000 1.865 420 W CB -0.381 29.143 29.460 0.106 0.000 1.111 420 W HN -0.154 nan 8.180 nan 0.000 0.621 421 A N 1.345 124.321 122.820 0.259 0.000 2.425 421 A HA -0.015 4.305 4.320 -0.000 0.000 0.242 421 A C 0.639 178.311 177.584 0.147 0.000 1.077 421 A CA -0.037 52.106 52.037 0.177 0.000 0.781 421 A CB 0.022 19.098 19.000 0.126 0.000 1.020 421 A HN 0.332 nan 8.150 nan 0.000 0.494 422 N N 1.387 120.151 118.700 0.107 0.000 3.050 422 N HA 0.125 4.865 4.740 -0.000 0.000 0.289 422 N C -0.694 174.846 175.510 0.051 0.000 1.209 422 N CA 0.158 53.255 53.050 0.078 0.000 1.154 422 N CB -0.253 38.272 38.487 0.063 0.000 1.444 422 N HN 0.498 nan 8.380 nan 0.000 0.529 423 K N 0.557 120.986 120.400 0.049 0.000 2.508 423 K HA 0.048 4.367 4.320 -0.000 0.000 0.260 423 K C 0.613 177.205 176.600 -0.014 0.000 0.949 423 K CA -0.736 55.561 56.287 0.017 0.000 0.834 423 K CB 1.765 34.277 32.500 0.019 0.000 1.365 423 K HN 0.190 nan 8.250 nan 0.000 0.437 424 E N 1.158 121.336 120.200 -0.038 0.000 2.338 424 E HA -0.095 4.255 4.350 -0.000 0.000 0.197 424 E C 0.010 176.527 176.600 -0.138 0.000 1.007 424 E CA 0.902 57.259 56.400 -0.072 0.000 0.849 424 E CB 0.098 29.766 29.700 -0.053 0.000 0.774 424 E HN 0.594 nan 8.360 nan 0.000 0.506 425 c N -1.122 117.402 118.600 -0.127 0.000 3.080 425 c HA 0.717 5.287 4.570 -0.000 0.000 0.307 425 c C -0.459 173.579 174.090 -0.087 0.000 1.311 425 c CA -1.415 54.811 56.329 -0.172 0.000 1.533 425 c CB 0.365 42.823 42.510 -0.087 0.000 1.970 425 c HN 0.032 nan 8.230 nan 0.000 0.467 426 F N 2.432 122.380 119.950 -0.003 0.000 2.421 426 F HA 0.375 4.902 4.527 -0.000 0.000 0.358 426 F C 0.905 176.631 175.800 -0.124 0.000 1.115 426 F CA -0.511 57.463 58.000 -0.044 0.000 1.160 426 F CB 0.124 39.159 39.000 0.058 0.000 1.123 426 F HN 0.713 nan 8.300 nan 0.000 0.508 427 N N 5.358 124.060 118.700 0.003 0.000 2.414 427 N HA 0.246 4.986 4.740 -0.000 0.000 0.256 427 N C -2.674 172.648 175.510 -0.314 0.000 1.029 427 N CA -1.623 51.335 53.050 -0.154 0.000 0.948 427 N CB 1.062 39.477 38.487 -0.120 0.000 1.102 427 N HN 0.136 nan 8.380 nan 0.000 0.496 428 P HA -0.006 nan 4.420 nan 0.000 0.262 428 P C -0.649 176.343 177.300 -0.513 0.000 1.182 428 P CA -0.057 62.471 63.100 -0.952 0.000 0.761 428 P CB 0.454 31.233 31.700 -1.536 0.000 0.795 429 c N 3.700 122.004 118.600 -0.494 0.000 2.848 429 c HA 0.853 5.423 4.570 -0.000 0.000 0.317 429 c C -0.294 173.548 174.090 -0.412 0.000 1.260 429 c CA -0.330 55.645 56.329 -0.589 0.000 1.656 429 c CB 0.888 42.549 42.510 -1.416 0.000 2.174 429 c HN 0.665 nan 8.230 nan 0.000 0.479 430 F N -0.090 119.545 119.950 -0.526 0.000 2.662 430 F HA 0.816 5.343 4.527 -0.000 0.000 0.312 430 F C -1.194 174.556 175.800 -0.083 0.000 1.113 430 F CA -1.199 56.499 58.000 -0.502 0.000 0.951 430 F CB 0.944 39.275 39.000 -1.116 0.000 1.344 430 F HN 0.711 nan 8.300 nan 0.000 0.462 431 Y N -0.146 120.148 120.300 -0.010 0.000 2.570 431 Y HA 0.878 5.428 4.550 -0.000 0.000 0.345 431 Y C -1.871 174.031 175.900 0.004 0.000 1.014 431 Y CA -1.967 56.097 58.100 -0.061 0.000 1.063 431 Y CB 1.559 40.028 38.460 0.015 0.000 1.272 431 Y HN 0.576 nan 8.280 nan 0.000 0.477 432 V N 2.079 122.025 119.914 0.053 0.000 2.487 432 V HA 0.274 4.393 4.120 -0.000 0.000 0.298 432 V C -0.422 175.815 176.094 0.239 0.000 1.028 432 V CA -1.032 61.271 62.300 0.005 0.000 0.860 432 V CB 1.458 33.211 31.823 -0.118 0.000 0.991 432 V HN 0.897 nan 8.190 nan 0.000 0.427 433 E N 4.722 125.113 120.200 0.319 0.000 2.290 433 E HA 0.325 4.674 4.350 -0.000 0.000 0.277 433 E C -1.165 175.567 176.600 0.220 0.000 1.035 433 E CA -0.431 56.139 56.400 0.284 0.000 0.873 433 E CB 0.755 30.640 29.700 0.308 0.000 1.029 433 E HN 0.629 nan 8.360 nan 0.000 0.419 434 L N 7.100 128.441 121.223 0.196 0.000 2.321 434 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 434 L C -0.097 176.891 176.870 0.196 0.000 1.050 434 L CA -0.555 54.414 54.840 0.214 0.000 0.893 434 L CB 0.449 42.633 42.059 0.209 0.000 1.272 434 L HN 0.523 nan 8.230 nan 0.000 0.435 435 I N 3.798 124.482 120.570 0.190 0.000 2.471 435 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 435 I C 0.269 176.455 176.117 0.116 0.000 1.079 435 I CA -0.093 61.277 61.300 0.116 0.000 1.398 435 I CB 0.354 38.375 38.000 0.034 0.000 1.403 435 I HN 0.488 nan 8.210 nan 0.000 0.530 436 R N 4.238 124.811 120.500 0.122 0.000 2.740 436 R HA 0.772 5.112 4.340 -0.000 0.000 0.282 436 R C 0.236 176.525 176.300 -0.017 0.000 0.969 436 R CA -0.412 55.754 56.100 0.110 0.000 0.918 436 R CB 1.482 31.940 30.300 0.265 0.000 1.175 436 R HN 0.893 nan 8.270 nan 0.000 0.464 437 G N 1.864 110.454 108.800 -0.351 0.000 2.484 437 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 437 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 437 G C -0.797 173.843 174.900 -0.432 0.000 1.250 437 G CA -0.662 44.042 45.100 -0.661 0.000 0.926 437 G HN 0.512 nan 8.290 nan 0.000 0.581 438 R N 1.530 121.819 120.500 -0.352 0.000 2.641 438 R HA 0.325 4.665 4.340 -0.000 0.000 0.269 438 R C -1.225 174.944 176.300 -0.219 0.000 1.074 438 R CA -0.674 55.271 56.100 -0.258 0.000 1.133 438 R CB 0.908 31.098 30.300 -0.182 0.000 1.029 438 R HN 0.440 nan 8.270 nan 0.000 0.488 439 P HA -0.010 nan 4.420 nan 0.000 0.239 439 P C 0.272 177.412 177.300 -0.268 0.000 1.188 439 P CA 0.682 63.660 63.100 -0.203 0.000 0.794 439 P CB 0.401 32.014 31.700 -0.144 0.000 0.937 440 K N 0.712 120.854 120.400 -0.429 0.000 2.148 440 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 440 K C 0.651 177.020 176.600 -0.385 0.000 1.050 440 K CA 0.925 56.866 56.287 -0.577 0.000 0.942 440 K CB -0.075 31.581 32.500 -1.405 0.000 0.724 440 K HN 0.412 nan 8.250 nan 0.000 0.446 441 E N 0.804 120.778 120.200 -0.376 0.000 2.489 441 E HA 0.089 4.438 4.350 -0.000 0.000 0.232 441 E C -0.056 176.380 176.600 -0.274 0.000 0.990 441 E CA -0.190 56.059 56.400 -0.252 0.000 0.768 441 E CB 1.004 30.554 29.700 -0.250 0.000 1.270 441 E HN 0.053 nan 8.360 nan 0.000 0.423 442 S N -0.012 115.573 115.700 -0.192 0.000 2.593 442 S HA -0.094 4.375 4.470 -0.000 0.000 0.217 442 S C 1.746 176.250 174.600 -0.161 0.000 0.966 442 S CA 0.172 58.265 58.200 -0.179 0.000 0.914 442 S CB -0.014 63.113 63.200 -0.122 0.000 0.776 442 S HN 0.339 nan 8.310 nan 0.000 0.523 443 S N 1.174 116.781 115.700 -0.156 0.000 2.561 443 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 443 S C 0.710 175.217 174.600 -0.155 0.000 0.977 443 S CA 0.141 58.272 58.200 -0.114 0.000 0.926 443 S CB -0.837 62.325 63.200 -0.065 0.000 0.769 443 S HN 0.746 nan 8.310 nan 0.000 0.533 444 V N -2.119 117.607 119.914 -0.314 0.000 3.019 444 V HA 0.638 4.758 4.120 -0.000 0.000 0.317 444 V C 0.728 176.566 176.094 -0.427 0.000 1.094 444 V CA -1.040 60.981 62.300 -0.465 0.000 1.000 444 V CB 1.283 32.456 31.823 -1.085 0.000 1.060 444 V HN 0.079 nan 8.190 nan 0.000 0.443 445 L N 2.028 123.079 121.223 -0.288 0.000 2.567 445 L HA 0.341 4.680 4.340 -0.000 0.000 0.225 445 L C 0.607 177.462 176.870 -0.026 0.000 1.119 445 L CA 0.241 55.022 54.840 -0.099 0.000 0.871 445 L CB -0.604 41.473 42.059 0.030 0.000 1.036 445 L HN 0.865 nan 8.230 nan 0.000 0.459 446 W N -1.743 119.524 121.300 -0.054 0.000 2.671 446 W HA 0.693 5.353 4.660 -0.000 0.000 0.360 446 W C -0.922 175.543 176.519 -0.090 0.000 1.128 446 W CA -0.812 56.496 57.345 -0.063 0.000 1.184 446 W CB 0.614 30.031 29.460 -0.071 0.000 1.415 446 W HN -0.300 nan 8.180 nan 0.000 0.604 447 T N 1.494 116.274 114.554 0.377 0.000 2.921 447 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 447 T C -0.934 173.943 174.700 0.296 0.000 1.013 447 T CA -0.241 62.014 62.100 0.259 0.000 0.990 447 T CB 2.061 70.969 68.868 0.067 0.000 1.023 447 T HN 0.531 nan 8.240 nan 0.000 0.447 448 S N 2.018 117.895 115.700 0.296 0.000 2.843 448 S HA 0.807 5.277 4.470 -0.000 0.000 0.301 448 S C -1.686 172.973 174.600 0.099 0.000 1.206 448 S CA -0.792 57.470 58.200 0.104 0.000 0.875 448 S CB 1.295 64.443 63.200 -0.086 0.000 1.248 448 S HN 1.002 nan 8.310 nan 0.000 0.555 449 N N -0.779 117.952 118.700 0.052 0.000 2.825 449 N HA 0.658 5.398 4.740 -0.000 0.000 0.253 449 N C -1.041 174.514 175.510 0.075 0.000 1.426 449 N CA -0.506 52.594 53.050 0.085 0.000 0.851 449 N CB 1.598 40.138 38.487 0.088 0.000 1.470 449 N HN 0.644 nan 8.380 nan 0.000 0.517 450 S N -0.351 115.415 115.700 0.109 0.000 2.798 450 S HA 0.748 5.218 4.470 -0.000 0.000 0.312 450 S C -0.664 174.013 174.600 0.127 0.000 1.122 450 S CA -0.861 57.405 58.200 0.109 0.000 0.949 450 S CB 0.657 63.922 63.200 0.108 0.000 1.235 450 S HN 0.567 nan 8.310 nan 0.000 0.552 451 I N 0.547 121.187 120.570 0.117 0.000 2.608 451 I HA 0.671 4.841 4.170 -0.000 0.000 0.295 451 I C -1.101 175.053 176.117 0.062 0.000 1.049 451 I CA -1.109 60.249 61.300 0.098 0.000 1.063 451 I CB 2.081 40.111 38.000 0.052 0.000 1.248 451 I HN 0.507 nan 8.210 nan 0.000 0.424 452 V N 4.607 124.549 119.914 0.048 0.000 2.823 452 V HA 0.928 5.048 4.120 -0.000 0.000 0.312 452 V C -0.998 175.028 176.094 -0.114 0.000 1.072 452 V CA -0.217 62.048 62.300 -0.058 0.000 0.937 452 V CB 1.933 33.728 31.823 -0.047 0.000 1.013 452 V HN 0.879 nan 8.190 nan 0.000 0.430 453 A N 5.948 128.635 122.820 -0.221 0.000 2.449 453 A HA 0.961 5.281 4.320 -0.000 0.000 0.302 453 A C -1.803 175.518 177.584 -0.438 0.000 1.048 453 A CA -0.528 51.367 52.037 -0.237 0.000 0.708 453 A CB 1.686 20.691 19.000 0.010 0.000 1.274 453 A HN 0.814 nan 8.150 nan 0.000 0.410 454 L N 0.347 121.149 121.223 -0.701 0.000 2.376 454 L HA 0.759 5.099 4.340 -0.000 0.000 0.258 454 L C -0.488 176.072 176.870 -0.517 0.000 1.013 454 L CA -0.180 54.268 54.840 -0.653 0.000 0.822 454 L CB 2.200 43.864 42.059 -0.658 0.000 1.388 454 L HN 0.825 nan 8.230 nan 0.000 0.413 455 c N -0.354 117.946 118.600 -0.500 0.000 3.044 455 c HA 0.832 5.402 4.570 -0.000 0.000 0.315 455 c C 0.616 174.567 174.090 -0.231 0.000 1.320 455 c CA -1.036 55.109 56.329 -0.306 0.000 1.582 455 c CB 1.697 43.996 42.510 -0.351 0.000 2.039 455 c HN 0.936 nan 8.230 nan 0.000 0.466 456 G N 0.892 109.473 108.800 -0.366 0.000 2.491 456 G HA2 0.463 4.423 3.960 -0.000 0.000 0.242 456 G HA3 0.463 4.423 3.960 -0.000 0.000 0.242 456 G C -0.396 174.319 174.900 -0.309 0.000 1.266 456 G CA 0.255 44.907 45.100 -0.746 0.000 0.844 456 G HN 0.842 nan 8.290 nan 0.000 0.571 457 S N -0.014 115.471 115.700 -0.357 0.000 2.536 457 S HA 0.344 4.814 4.470 -0.000 0.000 0.287 457 S C 0.955 175.445 174.600 -0.184 0.000 1.101 457 S CA -0.777 57.331 58.200 -0.153 0.000 0.950 457 S CB 1.807 64.978 63.200 -0.048 0.000 1.056 457 S HN 0.632 nan 8.310 nan 0.000 0.481 458 K N 1.942 122.274 120.400 -0.114 0.000 2.365 458 K HA 0.060 4.380 4.320 -0.000 0.000 0.199 458 K C 0.297 176.872 176.600 -0.041 0.000 1.045 458 K CA 0.668 56.911 56.287 -0.073 0.000 0.962 458 K CB 0.040 32.507 32.500 -0.054 0.000 0.759 458 K HN 0.453 nan 8.250 nan 0.000 0.469 459 K N 1.207 121.583 120.400 -0.039 0.000 2.149 459 K HA 0.086 4.406 4.320 -0.000 0.000 0.245 459 K C 0.032 176.634 176.600 0.003 0.000 1.024 459 K CA -0.164 56.114 56.287 -0.015 0.000 0.899 459 K CB 0.441 32.933 32.500 -0.014 0.000 1.038 459 K HN 0.026 nan 8.250 nan 0.000 0.496 460 R N 2.147 122.661 120.500 0.023 0.000 2.565 460 R HA 0.292 4.631 4.340 -0.000 0.000 0.286 460 R C -0.044 176.287 176.300 0.053 0.000 1.256 460 R CA -0.283 55.847 56.100 0.050 0.000 1.238 460 R CB -0.556 29.775 30.300 0.052 0.000 1.153 460 R HN 0.387 nan 8.270 nan 0.000 0.553 461 L N 0.883 122.145 121.223 0.065 0.000 2.375 461 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 461 L C 1.338 178.266 176.870 0.096 0.000 1.107 461 L CA -0.658 54.226 54.840 0.073 0.000 0.806 461 L CB 0.969 43.084 42.059 0.095 0.000 1.146 461 L HN 0.495 nan 8.230 nan 0.000 0.447 462 G N 0.983 109.824 108.800 0.068 0.000 2.636 462 G HA2 0.389 4.349 3.960 -0.000 0.000 0.246 462 G HA3 0.389 4.349 3.960 -0.000 0.000 0.246 462 G C -0.268 174.694 174.900 0.105 0.000 1.216 462 G CA -0.151 44.987 45.100 0.064 0.000 0.854 462 G HN 0.685 nan 8.290 nan 0.000 0.572 463 S N -0.174 115.599 115.700 0.121 0.000 2.595 463 S HA 0.822 5.292 4.470 -0.000 0.000 0.281 463 S C -1.041 173.679 174.600 0.199 0.000 1.117 463 S CA -0.813 57.512 58.200 0.208 0.000 0.873 463 S CB 2.124 65.493 63.200 0.283 0.000 1.108 463 S HN 1.336 nan 8.310 nan 0.000 0.477 464 W N -0.008 121.258 121.300 -0.057 0.000 3.039 464 W HA 0.778 5.437 4.660 -0.000 0.000 0.354 464 W C -0.753 175.594 176.519 -0.288 0.000 1.206 464 W CA -1.506 55.725 57.345 -0.190 0.000 1.134 464 W CB 0.557 29.849 29.460 -0.281 0.000 1.493 464 W HN 0.768 nan 8.180 nan 0.000 0.591 465 S N 0.267 115.906 115.700 -0.102 0.000 2.505 465 S HA 0.299 4.769 4.470 -0.000 0.000 0.276 465 S C -1.073 173.250 174.600 -0.461 0.000 1.274 465 S CA -0.235 57.915 58.200 -0.083 0.000 1.053 465 S CB -0.070 63.212 63.200 0.137 0.000 0.919 465 S HN 0.388 nan 8.310 nan 0.000 0.490 466 W N 6.244 127.521 121.300 -0.038 0.000 2.102 466 W HA 0.278 4.938 4.660 -0.000 0.000 0.357 466 W C 0.975 177.423 176.519 -0.119 0.000 0.717 466 W CA -0.901 56.343 57.345 -0.167 0.000 2.518 466 W CB -0.055 29.397 29.460 -0.014 0.000 2.010 466 W HN 0.714 nan 8.180 nan 0.000 0.672 467 H N -1.447 117.666 119.070 0.072 0.000 2.730 467 H HA 0.050 4.606 4.556 -0.000 0.000 0.376 467 H C 0.928 176.316 175.328 0.100 0.000 1.299 467 H CA 0.530 56.626 56.048 0.081 0.000 1.447 467 H CB 0.657 30.424 29.762 0.008 0.000 1.493 467 H HN 0.161 nan 8.280 nan 0.000 0.619 468 D N 0.647 121.187 120.400 0.234 0.000 2.116 468 D HA -0.109 4.530 4.640 -0.000 0.000 0.193 468 D C 1.693 178.081 176.300 0.146 0.000 0.998 468 D CA 3.225 57.334 54.000 0.182 0.000 0.836 468 D CB -0.471 40.460 40.800 0.218 0.000 0.951 468 D HN 0.961 nan 8.370 nan 0.000 0.449 469 G N -0.961 107.961 108.800 0.204 0.000 2.175 469 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.244 469 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.244 469 G C 0.396 175.400 174.900 0.173 0.000 0.982 469 G CA 0.519 45.719 45.100 0.167 0.000 0.641 469 G HN 0.785 nan 8.290 nan 0.000 0.527 470 A N -0.086 122.863 122.820 0.214 0.000 2.371 470 A HA 0.674 4.994 4.320 -0.000 0.000 0.257 470 A C 0.299 178.014 177.584 0.218 0.000 1.089 470 A CA 0.539 52.741 52.037 0.275 0.000 0.794 470 A CB 0.728 19.968 19.000 0.400 0.000 1.029 470 A HN 0.757 nan 8.150 nan 0.000 0.488 471 E N 1.812 122.108 120.200 0.161 0.000 2.081 471 E HA 0.312 4.662 4.350 -0.000 0.000 0.281 471 E C 0.345 177.017 176.600 0.119 0.000 0.986 471 E CA -0.437 55.930 56.400 -0.054 0.000 0.796 471 E CB 0.644 29.998 29.700 -0.577 0.000 1.085 471 E HN 0.459 nan 8.360 nan 0.000 0.398 472 I N 5.319 125.982 120.570 0.155 0.000 2.361 472 I HA -0.158 4.011 4.170 -0.000 0.000 0.251 472 I C 1.745 178.002 176.117 0.233 0.000 1.133 472 I CA 0.955 62.402 61.300 0.245 0.000 1.413 472 I CB -0.193 37.866 38.000 0.098 0.000 1.073 472 I HN 0.864 nan 8.210 nan 0.000 0.424 473 I N -0.642 119.965 120.570 0.062 0.000 2.335 473 I HA -0.377 3.793 4.170 -0.000 0.000 0.251 473 I C 2.028 178.252 176.117 0.179 0.000 1.129 473 I CA 1.591 62.927 61.300 0.061 0.000 1.402 473 I CB -0.268 37.718 38.000 -0.023 0.000 1.069 473 I HN 0.267 nan 8.210 nan 0.000 0.424 474 Y N -0.694 119.671 120.300 0.107 0.000 2.403 474 Y HA -0.228 4.322 4.550 -0.000 0.000 0.291 474 Y C 1.662 177.514 175.900 -0.079 0.000 1.143 474 Y CA 0.392 58.474 58.100 -0.030 0.000 1.257 474 Y CB -0.138 38.236 38.460 -0.144 0.000 0.984 474 Y HN 0.166 nan 8.280 nan 0.000 0.550 475 F N -0.084 120.033 119.950 0.279 0.000 2.727 475 F HA 0.099 4.625 4.527 -0.000 0.000 0.302 475 F C 0.889 176.801 175.800 0.187 0.000 1.097 475 F CA -0.137 58.027 58.000 0.274 0.000 1.330 475 F CB 0.051 39.304 39.000 0.422 0.000 1.084 475 F HN -0.038 nan 8.300 nan 0.000 0.578 476 E N 0.000 120.368 120.200 0.280 0.000 2.725 476 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 476 E CA 0.000 56.500 56.400 0.166 0.000 0.976 476 E CB 0.000 29.768 29.700 0.113 0.000 0.812 476 E HN 0.000 nan 8.360 nan 0.000 0.440