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 2c1t_1_A DATA FIRST_RESID 88 DATA SEQUENCE ELPQMTQQLN SDDMQEQLSA TVKFRQILSR EHRPPIDVVI QAGVVPRLVE DATA SEQUENCE FMRENQPEML QLEAAWALTN IASGTSAQTK VVVDADAVPL FIQLLYTGSV DATA SEQUENCE EVKEQAIWAL GNVAGDSTDY RDYVLQCNAM EPILGLFNSN KPSLIRTATW DATA SEQUENCE TLSNLCRGKK PQPDWSVVSQ ALPTLAKLIY SMDTETLVDA CWAISYLSDG DATA SEQUENCE PQEAIQAVID VRIPKRLVEL LSHESTLVQT PALRAVGNIV TGNDLQTQVV DATA SEQUENCE INAGVLPALR LLLSSPKENI KKEACWTISN ITAGNTEQIQ AVIDANLIPP DATA SEQUENCE LVKLLEVAED KTKKEACWAI SNASSGGLQR PDIIRYLVSQ GCIKPLCDLL DATA SEQUENCE EIADNRIIEV TLDALENILK MGEADKEARG LNINENADFI EKAGGMEKIF DATA SEQUENCE NCQQNENDKI YEKAYKIIET YFG 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 E HA 0.000 nan 4.350 nan 0.000 0.291 88 E C 0.000 176.551 176.600 -0.082 0.000 1.382 88 E CA 0.000 56.364 56.400 -0.060 0.000 0.976 88 E CB 0.000 29.658 29.700 -0.070 0.000 0.812 89 L N 1.093 122.276 121.223 -0.068 0.000 2.269 89 L HA 0.285 4.624 4.340 -0.002 0.000 0.200 89 L C -1.297 175.557 176.870 -0.028 0.000 1.069 89 L CA 1.167 55.959 54.840 -0.079 0.000 0.804 89 L CB -0.779 41.249 42.059 -0.052 0.000 0.987 89 L HN -0.049 nan 8.230 nan 0.000 0.468 90 P HA -0.169 nan 4.420 nan 0.000 0.219 90 P C 1.424 178.736 177.300 0.019 0.000 1.146 90 P CA 1.311 64.422 63.100 0.019 0.000 0.808 90 P CB 0.033 31.740 31.700 0.012 0.000 0.779 91 Q N -1.013 118.786 119.800 -0.002 0.000 2.020 91 Q HA -0.147 4.192 4.340 -0.002 0.000 0.202 91 Q C 2.230 178.233 176.000 0.005 0.000 0.982 91 Q CA 1.574 57.376 55.803 -0.002 0.000 0.838 91 Q CB -0.593 28.133 28.738 -0.020 0.000 0.899 91 Q HN 0.273 nan 8.270 nan 0.000 0.423 92 M N 0.002 119.580 119.600 -0.037 0.000 2.106 92 M HA -0.188 4.291 4.480 -0.002 0.000 0.259 92 M C 2.192 178.585 176.300 0.154 0.000 1.068 92 M CA 1.513 56.786 55.300 -0.045 0.000 1.100 92 M CB -0.421 31.965 32.600 -0.357 0.000 1.351 92 M HN 0.205 nan 8.290 nan 0.000 0.404 93 T N 0.194 114.857 114.554 0.183 0.000 2.803 93 T HA -0.203 4.146 4.350 -0.002 0.000 0.269 93 T C 1.734 176.511 174.700 0.129 0.000 1.052 93 T CA 1.358 63.589 62.100 0.219 0.000 1.136 93 T CB -0.248 68.706 68.868 0.145 0.000 0.864 93 T HN 0.531 nan 8.240 nan 0.000 0.467 94 Q N 0.290 120.145 119.800 0.091 0.000 2.212 94 Q HA 0.028 4.367 4.340 -0.002 0.000 0.199 94 Q C 2.399 178.446 176.000 0.078 0.000 0.950 94 Q CA 0.639 56.482 55.803 0.067 0.000 0.863 94 Q CB -0.100 28.664 28.738 0.044 0.000 0.944 94 Q HN 0.535 nan 8.270 nan 0.000 0.465 95 Q N 0.528 120.381 119.800 0.088 0.000 2.297 95 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 95 Q C 1.775 177.860 176.000 0.141 0.000 0.962 95 Q CA 0.595 56.453 55.803 0.093 0.000 0.879 95 Q CB 0.192 28.974 28.738 0.073 0.000 0.947 95 Q HN 0.284 nan 8.270 nan 0.000 0.462 96 L N 0.604 121.937 121.223 0.183 0.000 2.270 96 L HA -0.002 4.337 4.340 -0.002 0.000 0.210 96 L C 1.298 178.276 176.870 0.179 0.000 1.104 96 L CA 0.981 55.952 54.840 0.219 0.000 0.804 96 L CB 0.049 42.220 42.059 0.186 0.000 0.937 96 L HN 0.150 nan 8.230 nan 0.000 0.450 97 N N -0.985 117.784 118.700 0.115 0.000 2.412 97 N HA 0.009 4.748 4.740 -0.002 0.000 0.184 97 N C 0.638 176.203 175.510 0.092 0.000 1.101 97 N CA 0.475 53.578 53.050 0.088 0.000 0.881 97 N CB -0.040 38.476 38.487 0.048 0.000 0.969 97 N HN 0.291 nan 8.380 nan 0.000 0.459 98 S N 0.680 116.436 115.700 0.094 0.000 2.552 98 S HA 0.003 4.472 4.470 -0.002 0.000 0.289 98 S C 0.620 175.262 174.600 0.070 0.000 1.304 98 S CA -0.195 58.047 58.200 0.069 0.000 1.063 98 S CB 0.800 64.036 63.200 0.060 0.000 0.848 98 S HN 0.048 nan 8.310 nan 0.000 0.499 99 D N 1.597 122.025 120.400 0.047 0.000 2.347 99 D HA 0.051 4.690 4.640 -0.002 0.000 0.215 99 D C 0.021 176.330 176.300 0.015 0.000 0.976 99 D CA 0.675 54.697 54.000 0.036 0.000 0.884 99 D CB -0.032 40.784 40.800 0.027 0.000 0.915 99 D HN 0.744 nan 8.370 nan 0.000 0.526 100 D N 0.148 120.557 120.400 0.015 0.000 2.434 100 D HA -0.059 4.580 4.640 -0.002 0.000 0.252 100 D C 1.223 177.514 176.300 -0.015 0.000 1.185 100 D CA 0.199 54.199 54.000 0.001 0.000 0.886 100 D CB 0.626 41.431 40.800 0.008 0.000 1.148 100 D HN -0.083 nan 8.370 nan 0.000 0.483 101 M N 2.616 122.192 119.600 -0.039 0.000 2.229 101 M HA -0.159 4.320 4.480 -0.002 0.000 0.264 101 M C 1.671 177.935 176.300 -0.060 0.000 1.063 101 M CA 1.141 56.395 55.300 -0.077 0.000 1.114 101 M CB -0.509 32.044 32.600 -0.078 0.000 1.387 101 M HN 0.514 nan 8.290 nan 0.000 0.420 102 Q N 1.048 120.830 119.800 -0.030 0.000 2.124 102 Q HA -0.145 4.195 4.340 -0.002 0.000 0.202 102 Q C 1.711 177.710 176.000 -0.003 0.000 0.977 102 Q CA 1.674 57.467 55.803 -0.016 0.000 0.850 102 Q CB -0.011 28.722 28.738 -0.008 0.000 0.901 102 Q HN 0.403 nan 8.270 nan 0.000 0.429 103 E N -0.313 119.892 120.200 0.008 0.000 2.140 103 E HA -0.073 4.276 4.350 -0.002 0.000 0.191 103 E C 1.985 178.622 176.600 0.061 0.000 0.973 103 E CA 0.457 56.876 56.400 0.032 0.000 0.829 103 E CB -0.067 29.654 29.700 0.037 0.000 0.781 103 E HN 0.529 nan 8.360 nan 0.000 0.466 104 Q N 0.600 120.430 119.800 0.050 0.000 2.156 104 Q HA -0.223 4.116 4.340 -0.002 0.000 0.211 104 Q C 2.302 178.352 176.000 0.084 0.000 0.995 104 Q CA 1.462 57.315 55.803 0.083 0.000 0.877 104 Q CB -0.205 28.460 28.738 -0.121 0.000 0.920 104 Q HN 0.134 nan 8.270 nan 0.000 0.416 105 L N -0.275 120.949 121.223 0.001 0.000 1.988 105 L HA -0.158 4.181 4.340 -0.002 0.000 0.207 105 L C 2.408 179.322 176.870 0.073 0.000 1.071 105 L CA 1.915 56.770 54.840 0.025 0.000 0.744 105 L CB -0.759 41.296 42.059 -0.007 0.000 0.893 105 L HN 0.052 nan 8.230 nan 0.000 0.433 106 S N -0.863 114.869 115.700 0.053 0.000 2.380 106 S HA -0.276 4.193 4.470 -0.002 0.000 0.229 106 S C 2.065 176.706 174.600 0.069 0.000 1.043 106 S CA 1.494 59.721 58.200 0.046 0.000 1.038 106 S CB -0.494 62.724 63.200 0.029 0.000 0.872 106 S HN 0.655 nan 8.310 nan 0.000 0.456 107 A N 0.188 123.080 122.820 0.119 0.000 1.855 107 A HA -0.045 4.274 4.320 -0.002 0.000 0.215 107 A C 2.367 180.133 177.584 0.303 0.000 1.191 107 A CA 2.137 54.284 52.037 0.183 0.000 0.613 107 A CB -1.536 17.615 19.000 0.253 0.000 0.829 107 A HN 0.554 nan 8.150 nan 0.000 0.442 108 T N -0.171 114.572 114.554 0.315 0.000 2.803 108 T HA -0.122 4.227 4.350 -0.002 0.000 0.269 108 T C 1.774 176.595 174.700 0.202 0.000 1.052 108 T CA 1.598 63.884 62.100 0.311 0.000 1.136 108 T CB -0.343 68.720 68.868 0.326 0.000 0.864 108 T HN 0.156 nan 8.240 nan 0.000 0.467 109 V N 0.612 120.598 119.914 0.120 0.000 2.548 109 V HA -0.049 4.070 4.120 -0.002 0.000 0.249 109 V C 2.392 178.476 176.094 -0.017 0.000 1.055 109 V CA 1.370 63.687 62.300 0.029 0.000 1.065 109 V CB -0.346 31.487 31.823 0.017 0.000 0.681 109 V HN 0.326 nan 8.190 nan 0.000 0.462 110 K N -0.474 119.922 120.400 -0.005 0.000 2.076 110 K HA -0.009 4.310 4.320 -0.002 0.000 0.204 110 K C 1.892 178.416 176.600 -0.127 0.000 1.051 110 K CA 1.208 57.438 56.287 -0.096 0.000 0.949 110 K CB -0.275 32.138 32.500 -0.144 0.000 0.726 110 K HN 0.344 nan 8.250 nan 0.000 0.443 111 F N 1.114 121.034 119.950 -0.050 0.000 2.046 111 F HA -0.249 4.276 4.527 -0.002 0.000 0.297 111 F C 2.586 178.327 175.800 -0.098 0.000 1.123 111 F CA 1.454 59.422 58.000 -0.054 0.000 1.199 111 F CB -0.189 38.792 39.000 -0.031 0.000 0.972 111 F HN 0.010 nan 8.300 nan 0.000 0.474 112 R N 0.979 121.515 120.500 0.061 0.000 2.117 112 R HA -0.227 4.112 4.340 -0.002 0.000 0.243 112 R C 1.916 178.053 176.300 -0.272 0.000 1.143 112 R CA 2.045 58.037 56.100 -0.180 0.000 0.968 112 R CB -0.595 29.497 30.300 -0.348 0.000 0.863 112 R HN 0.447 nan 8.270 nan 0.000 0.444 113 Q N -0.008 119.669 119.800 -0.204 0.000 2.083 113 Q HA -0.085 4.254 4.340 -0.002 0.000 0.198 113 Q C 2.245 178.169 176.000 -0.126 0.000 0.969 113 Q CA 1.804 57.490 55.803 -0.194 0.000 0.838 113 Q CB -0.163 28.487 28.738 -0.148 0.000 0.900 113 Q HN 0.545 nan 8.270 nan 0.000 0.436 114 I N -2.069 118.445 120.570 -0.094 0.000 2.353 114 I HA -0.160 4.009 4.170 -0.002 0.000 0.248 114 I C 1.809 177.909 176.117 -0.028 0.000 1.119 114 I CA 1.034 62.297 61.300 -0.063 0.000 1.417 114 I CB -0.424 37.532 38.000 -0.074 0.000 1.078 114 I HN 0.051 nan 8.210 nan 0.000 0.421 115 L N 0.887 122.103 121.223 -0.011 0.000 2.549 115 L HA -0.091 4.248 4.340 -0.002 0.000 0.230 115 L C 2.036 178.906 176.870 -0.000 0.000 1.162 115 L CA 0.735 55.584 54.840 0.015 0.000 0.834 115 L CB -0.467 41.614 42.059 0.036 0.000 0.947 115 L HN 0.305 nan 8.230 nan 0.000 0.452 116 S N -1.536 114.137 115.700 -0.045 0.000 2.511 116 S HA 0.066 4.535 4.470 -0.002 0.000 0.214 116 S C 0.896 175.488 174.600 -0.012 0.000 0.997 116 S CA -0.423 57.764 58.200 -0.023 0.000 0.908 116 S CB 0.055 63.207 63.200 -0.081 0.000 0.803 116 S HN 0.296 nan 8.310 nan 0.000 0.504 117 R N 1.961 122.447 120.500 -0.024 0.000 2.481 117 R HA -0.021 4.318 4.340 -0.002 0.000 0.291 117 R C 1.446 177.732 176.300 -0.023 0.000 0.934 117 R CA 0.963 57.044 56.100 -0.031 0.000 1.116 117 R CB 0.195 30.488 30.300 -0.012 0.000 0.895 117 R HN 0.410 nan 8.270 nan 0.000 0.410 118 E N 3.942 124.084 120.200 -0.095 0.000 2.106 118 E HA -0.133 4.216 4.350 -0.002 0.000 0.192 118 E C -0.030 176.596 176.600 0.043 0.000 0.984 118 E CA 1.391 57.735 56.400 -0.094 0.000 0.806 118 E CB -0.286 29.261 29.700 -0.254 0.000 0.750 118 E HN 0.676 nan 8.360 nan 0.000 0.458 119 H N -0.282 118.797 119.070 0.016 0.000 2.641 119 H HA 0.558 5.113 4.556 -0.001 0.000 0.295 119 H C 0.086 175.422 175.328 0.013 0.000 1.070 119 H CA -0.400 55.657 56.048 0.014 0.000 1.257 119 H CB 1.307 31.074 29.762 0.009 0.000 1.393 119 H HN 0.304 nan 8.280 nan 0.000 0.464 120 R N 1.789 122.372 120.500 0.138 0.000 3.184 120 R HA -0.109 4.230 4.340 -0.002 0.000 0.257 120 R C -2.734 173.606 176.300 0.067 0.000 0.999 120 R CA -0.283 55.864 56.100 0.078 0.000 0.670 120 R CB -2.312 28.024 30.300 0.059 0.000 1.197 120 R HN 0.455 nan 8.270 nan 0.000 0.419 121 P HA 0.057 nan 4.420 nan 0.000 0.264 121 P C -2.228 175.100 177.300 0.047 0.000 1.179 121 P CA -0.847 62.284 63.100 0.053 0.000 0.763 121 P CB 0.295 32.031 31.700 0.060 0.000 0.806 122 P HA 0.237 nan 4.420 nan 0.000 0.226 122 P C 0.865 178.199 177.300 0.056 0.000 1.758 122 P CA -0.028 63.097 63.100 0.042 0.000 0.896 122 P CB -0.539 31.180 31.700 0.032 0.000 1.784 123 I N 0.576 121.179 120.570 0.055 0.000 2.179 123 I HA -0.255 3.915 4.170 -0.002 0.000 0.242 123 I C 2.123 178.270 176.117 0.050 0.000 1.088 123 I CA 1.566 62.901 61.300 0.058 0.000 1.357 123 I CB -0.584 37.450 38.000 0.057 0.000 1.051 123 I HN 0.117 nan 8.210 nan 0.000 0.409 124 D N 1.213 121.637 120.400 0.041 0.000 2.092 124 D HA -0.170 4.469 4.640 -0.002 0.000 0.193 124 D C 2.130 178.452 176.300 0.036 0.000 0.994 124 D CA 1.505 55.525 54.000 0.033 0.000 0.828 124 D CB -1.126 39.690 40.800 0.027 0.000 0.963 124 D HN 0.240 nan 8.370 nan 0.000 0.450 125 V N 0.685 120.624 119.914 0.042 0.000 2.295 125 V HA -0.208 3.911 4.120 -0.002 0.000 0.246 125 V C 2.924 179.061 176.094 0.072 0.000 1.049 125 V CA 1.421 63.749 62.300 0.047 0.000 1.024 125 V CB -0.449 31.399 31.823 0.041 0.000 0.648 125 V HN 0.128 nan 8.190 nan 0.000 0.447 126 V N -0.222 119.752 119.914 0.100 0.000 2.343 126 V HA -0.254 3.866 4.120 -0.002 0.000 0.247 126 V C 2.193 178.330 176.094 0.072 0.000 1.051 126 V CA 2.076 64.472 62.300 0.160 0.000 1.036 126 V CB -0.486 31.465 31.823 0.213 0.000 0.654 126 V HN 0.442 nan 8.190 nan 0.000 0.451 127 I N -0.377 120.216 120.570 0.039 0.000 2.226 127 I HA -0.261 3.908 4.170 -0.002 0.000 0.245 127 I C 2.528 178.648 176.117 0.006 0.000 1.100 127 I CA 1.440 62.745 61.300 0.007 0.000 1.374 127 I CB -0.246 37.761 38.000 0.011 0.000 1.057 127 I HN 0.319 nan 8.210 nan 0.000 0.413 128 Q N 0.776 120.588 119.800 0.021 0.000 2.435 128 Q HA 0.072 4.411 4.340 -0.002 0.000 0.207 128 Q C 1.744 177.755 176.000 0.019 0.000 0.956 128 Q CA 0.878 56.691 55.803 0.016 0.000 0.917 128 Q CB -0.116 28.632 28.738 0.017 0.000 0.997 128 Q HN 0.460 nan 8.270 nan 0.000 0.497 129 A N -0.945 121.897 122.820 0.036 0.000 2.252 129 A HA 0.364 4.683 4.320 -0.002 0.000 0.207 129 A C 1.488 179.078 177.584 0.011 0.000 1.194 129 A CA 0.753 52.817 52.037 0.045 0.000 0.809 129 A CB -0.834 18.231 19.000 0.109 0.000 0.814 129 A HN 0.471 nan 8.150 nan 0.000 0.482 130 G N -1.403 107.387 108.800 -0.017 0.000 2.189 130 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.267 130 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.267 130 G C 1.122 175.965 174.900 -0.096 0.000 0.975 130 G CA 1.032 46.104 45.100 -0.046 0.000 0.644 130 G HN 1.632 nan 8.290 nan 0.000 0.537 131 V N -1.819 118.007 119.914 -0.146 0.000 3.541 131 V HA 0.292 4.411 4.120 -0.002 0.000 0.267 131 V C 2.303 178.209 176.094 -0.314 0.000 1.213 131 V CA 1.386 63.520 62.300 -0.277 0.000 1.149 131 V CB 0.023 31.546 31.823 -0.500 0.000 0.822 131 V HN 0.264 nan 8.190 nan 0.000 0.462 132 V N 1.310 121.095 119.914 -0.215 0.000 2.233 132 V HA -0.118 4.001 4.120 -0.002 0.000 0.247 132 V C 0.518 176.496 176.094 -0.193 0.000 1.050 132 V CA 3.058 65.248 62.300 -0.184 0.000 1.010 132 V CB -1.689 30.072 31.823 -0.103 0.000 0.637 132 V HN 0.526 nan 8.190 nan 0.000 0.444 133 P HA -0.170 nan 4.420 nan 0.000 0.218 133 P C 1.569 178.751 177.300 -0.197 0.000 1.146 133 P CA 1.259 64.273 63.100 -0.144 0.000 0.813 133 P CB -0.042 31.595 31.700 -0.105 0.000 0.778 134 R N 0.220 120.555 120.500 -0.274 0.000 2.062 134 R HA -0.000 4.339 4.340 -0.002 0.000 0.229 134 R C 2.142 178.023 176.300 -0.698 0.000 1.128 134 R CA 1.408 57.251 56.100 -0.428 0.000 0.960 134 R CB -1.634 28.405 30.300 -0.434 0.000 0.855 134 R HN 0.124 nan 8.270 nan 0.000 0.432 135 L N -0.206 120.663 121.223 -0.591 0.000 2.191 135 L HA -0.136 4.204 4.340 -0.002 0.000 0.212 135 L C 2.232 178.951 176.870 -0.252 0.000 1.103 135 L CA 0.813 55.364 54.840 -0.483 0.000 0.769 135 L CB -0.404 41.466 42.059 -0.315 0.000 0.908 135 L HN 0.038 nan 8.230 nan 0.000 0.438 136 V N -0.257 119.526 119.914 -0.218 0.000 2.379 136 V HA -0.230 3.889 4.120 -0.002 0.000 0.245 136 V C 2.359 178.397 176.094 -0.093 0.000 1.044 136 V CA 1.579 63.785 62.300 -0.156 0.000 1.036 136 V CB -0.322 31.416 31.823 -0.142 0.000 0.664 136 V HN 0.446 nan 8.190 nan 0.000 0.453 137 E N -0.247 119.906 120.200 -0.078 0.000 2.130 137 E HA -0.227 4.122 4.350 -0.002 0.000 0.196 137 E C 1.900 178.630 176.600 0.216 0.000 0.998 137 E CA 1.344 57.768 56.400 0.040 0.000 0.806 137 E CB -0.178 29.550 29.700 0.047 0.000 0.738 137 E HN 0.524 nan 8.360 nan 0.000 0.459 138 F N -0.233 119.687 119.950 -0.050 0.000 2.722 138 F HA 0.025 4.551 4.527 -0.001 0.000 0.298 138 F C 1.690 177.472 175.800 -0.030 0.000 1.175 138 F CA 0.726 58.708 58.000 -0.032 0.000 1.462 138 F CB -0.262 38.724 39.000 -0.023 0.000 1.111 138 F HN 0.038 nan 8.300 nan 0.000 0.592 139 M N -1.378 118.295 119.600 0.122 0.000 2.333 139 M HA 0.098 4.577 4.480 -0.002 0.000 0.257 139 M C 0.827 177.133 176.300 0.010 0.000 1.078 139 M CA 0.116 55.435 55.300 0.031 0.000 1.005 139 M CB 0.432 32.980 32.600 -0.086 0.000 1.444 139 M HN -0.223 nan 8.290 nan 0.000 0.496 140 R N 0.618 121.135 120.500 0.028 0.000 2.726 140 R HA 0.067 4.406 4.340 -0.002 0.000 0.272 140 R C 0.890 177.199 176.300 0.016 0.000 1.097 140 R CA -0.041 56.068 56.100 0.015 0.000 1.198 140 R CB 0.559 30.871 30.300 0.020 0.000 1.114 140 R HN 0.214 nan 8.270 nan 0.000 0.550 141 E N 0.828 121.035 120.200 0.011 0.000 2.118 141 E HA -0.228 4.121 4.350 -0.002 0.000 0.195 141 E C 0.596 177.198 176.600 0.005 0.000 0.992 141 E CA 1.751 58.157 56.400 0.010 0.000 0.804 141 E CB -0.178 29.525 29.700 0.004 0.000 0.741 141 E HN 0.555 nan 8.360 nan 0.000 0.458 142 N N 1.120 119.821 118.700 0.003 0.000 2.652 142 N HA -0.039 4.700 4.740 -0.002 0.000 0.259 142 N C -0.524 174.978 175.510 -0.014 0.000 1.240 142 N CA 0.214 53.262 53.050 -0.004 0.000 0.951 142 N CB 0.315 38.801 38.487 -0.002 0.000 1.281 142 N HN -0.054 nan 8.380 nan 0.000 0.507 143 Q N -0.323 119.467 119.800 -0.017 0.000 2.416 143 Q HA 0.423 4.762 4.340 -0.002 0.000 0.281 143 Q C -2.788 173.191 176.000 -0.036 0.000 1.067 143 Q CA -1.831 53.947 55.803 -0.041 0.000 0.809 143 Q CB 1.568 30.283 28.738 -0.037 0.000 1.418 143 Q HN 0.127 nan 8.270 nan 0.000 0.411 144 P HA -0.095 nan 4.420 nan 0.000 0.267 144 P C 0.601 177.895 177.300 -0.011 0.000 1.195 144 P CA 0.385 63.464 63.100 -0.036 0.000 0.773 144 P CB 0.725 32.392 31.700 -0.055 0.000 0.837 145 E N 1.587 121.789 120.200 0.003 0.000 2.150 145 E HA -0.165 4.184 4.350 -0.002 0.000 0.193 145 E C 1.539 178.158 176.600 0.032 0.000 0.985 145 E CA 1.371 57.782 56.400 0.020 0.000 0.814 145 E CB -0.418 29.293 29.700 0.019 0.000 0.752 145 E HN 0.216 nan 8.360 nan 0.000 0.466 146 M N -0.436 119.179 119.600 0.025 0.000 2.506 146 M HA 0.171 4.650 4.480 -0.002 0.000 0.260 146 M C 1.453 177.785 176.300 0.053 0.000 1.104 146 M CA 0.558 55.884 55.300 0.043 0.000 1.112 146 M CB 0.037 32.657 32.600 0.032 0.000 1.401 146 M HN 0.313 nan 8.290 nan 0.000 0.473 147 L N -0.691 120.543 121.223 0.018 0.000 2.200 147 L HA 0.039 4.378 4.340 -0.002 0.000 0.200 147 L C 2.063 178.977 176.870 0.072 0.000 1.072 147 L CA 1.498 56.340 54.840 0.003 0.000 0.787 147 L CB -0.699 41.276 42.059 -0.141 0.000 0.957 147 L HN 0.279 nan 8.230 nan 0.000 0.459 148 Q N -0.630 119.205 119.800 0.058 0.000 2.118 148 Q HA -0.297 4.042 4.340 -0.002 0.000 0.211 148 Q C 2.155 178.236 176.000 0.135 0.000 0.998 148 Q CA 2.365 58.224 55.803 0.093 0.000 0.872 148 Q CB -0.556 28.220 28.738 0.064 0.000 0.925 148 Q HN 0.492 nan 8.270 nan 0.000 0.414 149 L N 1.008 122.312 121.223 0.135 0.000 1.976 149 L HA -0.182 4.158 4.340 -0.002 0.000 0.209 149 L C 1.985 179.016 176.870 0.269 0.000 1.071 149 L CA 1.925 56.872 54.840 0.179 0.000 0.746 149 L CB -0.487 41.664 42.059 0.154 0.000 0.890 149 L HN 0.094 nan 8.230 nan 0.000 0.432 150 E N 0.005 120.354 120.200 0.248 0.000 2.150 150 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 150 E C 2.126 178.875 176.600 0.249 0.000 0.985 150 E CA 1.186 57.747 56.400 0.267 0.000 0.814 150 E CB -0.296 29.513 29.700 0.182 0.000 0.752 150 E HN 0.678 nan 8.360 nan 0.000 0.466 151 A N 1.235 124.197 122.820 0.238 0.000 1.929 151 A HA 0.059 4.379 4.320 -0.002 0.000 0.216 151 A C 2.362 180.066 177.584 0.200 0.000 1.176 151 A CA 1.479 53.638 52.037 0.203 0.000 0.628 151 A CB -0.274 18.870 19.000 0.241 0.000 0.816 151 A HN 0.246 nan 8.150 nan 0.000 0.444 152 A N -1.605 121.367 122.820 0.255 0.000 1.929 152 A HA -0.082 4.237 4.320 -0.002 0.000 0.216 152 A C 1.969 179.825 177.584 0.454 0.000 1.176 152 A CA 1.389 53.641 52.037 0.357 0.000 0.628 152 A CB -0.720 18.491 19.000 0.353 0.000 0.816 152 A HN 0.784 nan 8.150 nan 0.000 0.444 153 W N 1.048 122.457 121.300 0.183 0.000 2.381 153 W HA -0.057 4.602 4.660 -0.002 0.000 0.301 153 W C 2.374 178.979 176.519 0.144 0.000 1.205 153 W CA 1.306 58.741 57.345 0.150 0.000 1.285 153 W CB -0.704 28.822 29.460 0.109 0.000 1.133 153 W HN 0.375 nan 8.180 nan 0.000 0.521 154 A N 0.458 123.442 122.820 0.273 0.000 1.877 154 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 154 A C 2.266 179.950 177.584 0.167 0.000 1.186 154 A CA 1.816 53.929 52.037 0.127 0.000 0.620 154 A CB -1.160 17.886 19.000 0.076 0.000 0.822 154 A HN 0.283 nan 8.150 nan 0.000 0.443 155 L N -0.865 120.480 121.223 0.203 0.000 2.191 155 L HA -0.144 4.195 4.340 -0.002 0.000 0.212 155 L C 2.664 179.692 176.870 0.264 0.000 1.103 155 L CA 1.571 56.542 54.840 0.218 0.000 0.769 155 L CB -0.459 41.765 42.059 0.274 0.000 0.908 155 L HN 0.373 nan 8.230 nan 0.000 0.438 156 T N -0.986 113.752 114.554 0.306 0.000 2.896 156 T HA -0.068 4.281 4.350 -0.002 0.000 0.263 156 T C 1.669 176.502 174.700 0.223 0.000 1.050 156 T CA 0.739 62.976 62.100 0.228 0.000 1.140 156 T CB -0.056 68.972 68.868 0.267 0.000 0.877 156 T HN 0.258 nan 8.240 nan 0.000 0.457 157 N N 1.341 120.205 118.700 0.273 0.000 2.205 157 N HA 0.004 4.743 4.740 -0.002 0.000 0.186 157 N C 1.711 177.307 175.510 0.144 0.000 1.015 157 N CA 0.898 54.079 53.050 0.218 0.000 0.862 157 N CB -0.288 38.306 38.487 0.179 0.000 0.986 157 N HN 0.437 nan 8.380 nan 0.000 0.429 158 I N 0.277 120.923 120.570 0.126 0.000 2.233 158 I HA -0.135 4.034 4.170 -0.002 0.000 0.243 158 I C 2.030 178.192 176.117 0.075 0.000 1.093 158 I CA 0.806 62.160 61.300 0.090 0.000 1.380 158 I CB -0.256 37.791 38.000 0.078 0.000 1.067 158 I HN 0.034 nan 8.210 nan 0.000 0.413 159 A N 0.238 123.103 122.820 0.075 0.000 2.172 159 A HA -0.119 4.200 4.320 -0.002 0.000 0.216 159 A C 2.100 179.674 177.584 -0.017 0.000 1.154 159 A CA 1.512 53.567 52.037 0.031 0.000 0.701 159 A CB -0.503 18.502 19.000 0.009 0.000 0.789 159 A HN 0.500 nan 8.150 nan 0.000 0.465 160 S N -1.216 114.487 115.700 0.005 0.000 2.582 160 S HA 0.451 4.920 4.470 -0.002 0.000 0.234 160 S C 1.003 175.632 174.600 0.048 0.000 0.961 160 S CA 0.282 58.474 58.200 -0.013 0.000 0.953 160 S CB -0.161 63.067 63.200 0.046 0.000 0.800 160 S HN 0.513 nan 8.310 nan 0.000 0.471 161 G N 1.801 110.631 108.800 0.050 0.000 3.329 161 G HA2 0.454 4.413 3.960 -0.002 0.000 0.180 161 G HA3 0.454 4.413 3.960 -0.002 0.000 0.180 161 G C 0.202 175.126 174.900 0.040 0.000 1.640 161 G CA 0.181 45.313 45.100 0.053 0.000 1.018 161 G HN 0.579 nan 8.290 nan 0.000 0.581 162 T N -2.208 112.368 114.554 0.037 0.000 2.882 162 T HA 0.336 4.685 4.350 -0.002 0.000 0.287 162 T C 1.590 176.307 174.700 0.028 0.000 1.014 162 T CA 0.668 62.785 62.100 0.027 0.000 1.049 162 T CB 1.459 70.340 68.868 0.022 0.000 1.001 162 T HN 0.465 nan 8.240 nan 0.000 0.525 163 S N 1.249 116.959 115.700 0.016 0.000 2.400 163 S HA -0.235 4.234 4.470 -0.002 0.000 0.234 163 S C 2.182 176.803 174.600 0.034 0.000 1.049 163 S CA 1.760 59.967 58.200 0.013 0.000 1.039 163 S CB -1.126 62.058 63.200 -0.027 0.000 0.856 163 S HN 0.962 nan 8.310 nan 0.000 0.465 164 A N 0.104 122.939 122.820 0.025 0.000 1.970 164 A HA 0.071 4.390 4.320 -0.002 0.000 0.216 164 A C 2.066 179.674 177.584 0.041 0.000 1.170 164 A CA 1.078 53.133 52.037 0.030 0.000 0.645 164 A CB -0.471 18.538 19.000 0.015 0.000 0.816 164 A HN 0.705 nan 8.150 nan 0.000 0.447 165 Q N -0.893 118.931 119.800 0.040 0.000 2.311 165 Q HA -0.057 4.282 4.340 -0.002 0.000 0.203 165 Q C 1.855 177.886 176.000 0.052 0.000 0.954 165 Q CA 1.548 57.376 55.803 0.042 0.000 0.885 165 Q CB -0.159 28.604 28.738 0.042 0.000 0.963 165 Q HN 0.601 nan 8.270 nan 0.000 0.471 166 T N 0.998 115.591 114.554 0.066 0.000 2.812 166 T HA -0.128 4.221 4.350 -0.002 0.000 0.264 166 T C 1.680 176.438 174.700 0.097 0.000 1.042 166 T CA 1.220 63.369 62.100 0.082 0.000 1.140 166 T CB -0.053 68.884 68.868 0.115 0.000 0.870 166 T HN 0.242 nan 8.240 nan 0.000 0.445 167 K N 1.075 121.559 120.400 0.141 0.000 2.103 167 K HA -0.086 4.233 4.320 -0.002 0.000 0.207 167 K C 2.087 178.716 176.600 0.048 0.000 1.048 167 K CA 1.055 57.434 56.287 0.154 0.000 0.930 167 K CB -0.329 32.261 32.500 0.148 0.000 0.716 167 K HN 0.123 nan 8.250 nan 0.000 0.444 168 V N 0.735 120.670 119.914 0.035 0.000 2.295 168 V HA -0.232 3.887 4.120 -0.002 0.000 0.246 168 V C 2.317 178.408 176.094 -0.005 0.000 1.049 168 V CA 1.656 63.961 62.300 0.009 0.000 1.024 168 V CB -0.211 31.617 31.823 0.008 0.000 0.648 168 V HN 0.202 nan 8.190 nan 0.000 0.447 169 V N -0.371 119.551 119.914 0.013 0.000 2.490 169 V HA -0.206 3.913 4.120 -0.002 0.000 0.250 169 V C 2.360 178.455 176.094 0.001 0.000 1.061 169 V CA 1.759 64.075 62.300 0.028 0.000 1.064 169 V CB -0.303 31.576 31.823 0.093 0.000 0.670 169 V HN 0.414 nan 8.190 nan 0.000 0.461 170 V N -0.161 119.713 119.914 -0.067 0.000 2.379 170 V HA -0.182 3.937 4.120 -0.002 0.000 0.245 170 V C 2.167 178.168 176.094 -0.155 0.000 1.044 170 V CA 1.907 64.100 62.300 -0.178 0.000 1.036 170 V CB -0.578 30.937 31.823 -0.513 0.000 0.664 170 V HN 0.528 nan 8.190 nan 0.000 0.453 171 D N 0.653 120.987 120.400 -0.109 0.000 2.264 171 D HA -0.048 4.592 4.640 -0.002 0.000 0.208 171 D C 1.829 178.094 176.300 -0.059 0.000 0.966 171 D CA 1.312 55.262 54.000 -0.082 0.000 0.864 171 D CB -0.078 40.695 40.800 -0.045 0.000 0.933 171 D HN 0.462 nan 8.370 nan 0.000 0.499 172 A N 0.365 123.155 122.820 -0.051 0.000 2.302 172 A HA 0.043 4.362 4.320 -0.002 0.000 0.219 172 A C 0.290 177.848 177.584 -0.044 0.000 1.243 172 A CA 0.091 52.099 52.037 -0.049 0.000 0.856 172 A CB -0.267 18.700 19.000 -0.056 0.000 0.893 172 A HN 0.062 nan 8.150 nan 0.000 0.491 173 D N -2.283 118.100 120.400 -0.028 0.000 2.737 173 D HA -0.200 4.439 4.640 -0.002 0.000 0.238 173 D C 0.833 177.125 176.300 -0.013 0.000 1.157 173 D CA 0.836 54.841 54.000 0.008 0.000 0.694 173 D CB -0.953 39.853 40.800 0.010 0.000 1.021 173 D HN 0.497 nan 8.370 nan 0.000 0.420 174 A N -0.503 122.310 122.820 -0.010 0.000 2.195 174 A HA 0.206 4.526 4.320 -0.002 0.000 0.210 174 A C 2.150 179.705 177.584 -0.048 0.000 1.165 174 A CA 0.652 52.620 52.037 -0.115 0.000 0.806 174 A CB 0.366 19.314 19.000 -0.086 0.000 0.847 174 A HN 0.313 nan 8.150 nan 0.000 0.482 175 V N 0.789 120.794 119.914 0.151 0.000 2.283 175 V HA -0.097 4.022 4.120 -0.002 0.000 0.243 175 V C -0.369 175.798 176.094 0.122 0.000 1.039 175 V CA 2.274 64.718 62.300 0.240 0.000 1.016 175 V CB -1.167 30.799 31.823 0.238 0.000 0.650 175 V HN 0.326 nan 8.190 nan 0.000 0.449 176 P HA -0.149 nan 4.420 nan 0.000 0.217 176 P C 1.673 178.989 177.300 0.026 0.000 1.148 176 P CA 1.536 64.647 63.100 0.017 0.000 0.828 176 P CB -0.057 31.647 31.700 0.006 0.000 0.783 177 L N -3.834 117.372 121.223 -0.028 0.000 2.307 177 L HA 0.036 4.376 4.340 -0.002 0.000 0.211 177 L C 2.259 179.101 176.870 -0.047 0.000 1.099 177 L CA 0.693 55.492 54.840 -0.067 0.000 0.816 177 L CB -0.773 41.194 42.059 -0.154 0.000 0.952 177 L HN -0.063 nan 8.230 nan 0.000 0.455 178 F N 0.783 120.753 119.950 0.035 0.000 2.146 178 F HA -0.204 4.322 4.527 -0.002 0.000 0.298 178 F C 2.435 178.247 175.800 0.021 0.000 1.096 178 F CA 1.164 59.183 58.000 0.032 0.000 1.275 178 F CB -0.080 38.935 39.000 0.026 0.000 1.008 178 F HN -0.079 nan 8.300 nan 0.000 0.480 179 I N 0.259 120.951 120.570 0.202 0.000 2.179 179 I HA -0.317 3.852 4.170 -0.002 0.000 0.242 179 I C 2.630 178.817 176.117 0.117 0.000 1.088 179 I CA 1.621 62.984 61.300 0.104 0.000 1.357 179 I CB -0.576 37.464 38.000 0.066 0.000 1.051 179 I HN 0.251 nan 8.210 nan 0.000 0.409 180 Q N 0.974 120.869 119.800 0.158 0.000 2.297 180 Q HA -0.130 4.209 4.340 -0.002 0.000 0.204 180 Q C 2.019 178.138 176.000 0.199 0.000 0.962 180 Q CA 1.182 57.127 55.803 0.238 0.000 0.879 180 Q CB -0.270 28.555 28.738 0.146 0.000 0.947 180 Q HN 0.516 nan 8.270 nan 0.000 0.462 181 L N 0.546 121.852 121.223 0.139 0.000 2.465 181 L HA -0.038 4.301 4.340 -0.002 0.000 0.224 181 L C 2.021 178.947 176.870 0.094 0.000 1.145 181 L CA 0.313 55.226 54.840 0.122 0.000 0.834 181 L CB -0.085 42.054 42.059 0.133 0.000 0.944 181 L HN 0.300 nan 8.230 nan 0.000 0.451 182 L N -2.117 119.135 121.223 0.048 0.000 2.179 182 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 182 L C 2.256 179.077 176.870 -0.083 0.000 1.096 182 L CA 1.076 55.881 54.840 -0.058 0.000 0.779 182 L CB -0.437 41.527 42.059 -0.159 0.000 0.922 182 L HN 0.169 nan 8.230 nan 0.000 0.443 183 Y N 0.217 120.528 120.300 0.019 0.000 2.092 183 Y HA -0.272 4.277 4.550 -0.002 0.000 0.282 183 Y C 3.163 179.070 175.900 0.011 0.000 1.126 183 Y CA 1.988 60.095 58.100 0.013 0.000 1.111 183 Y CB -0.778 37.689 38.460 0.011 0.000 0.987 183 Y HN 0.230 nan 8.280 nan 0.000 0.489 184 T N -1.371 113.306 114.554 0.205 0.000 2.698 184 T HA 0.057 4.406 4.350 -0.002 0.000 0.260 184 T C 1.464 176.209 174.700 0.075 0.000 1.044 184 T CA 0.579 62.747 62.100 0.114 0.000 1.149 184 T CB -1.253 67.666 68.868 0.085 0.000 0.864 184 T HN 0.275 nan 8.240 nan 0.000 0.419 185 G N 1.759 110.601 108.800 0.070 0.000 2.690 185 G HA2 0.369 4.328 3.960 -0.002 0.000 0.239 185 G HA3 0.369 4.328 3.960 -0.002 0.000 0.239 185 G C 0.401 175.320 174.900 0.032 0.000 1.233 185 G CA 0.043 45.173 45.100 0.050 0.000 0.847 185 G HN 0.891 nan 8.290 nan 0.000 0.588 186 S N -0.886 114.827 115.700 0.022 0.000 2.632 186 S HA 0.034 4.503 4.470 -0.002 0.000 0.254 186 S C 1.556 176.151 174.600 -0.008 0.000 1.291 186 S CA 0.183 58.388 58.200 0.007 0.000 0.974 186 S CB 0.697 63.900 63.200 0.004 0.000 1.016 186 S HN 0.450 nan 8.310 nan 0.000 0.579 187 V N 1.414 121.314 119.914 -0.023 0.000 2.591 187 V HA -0.029 4.090 4.120 -0.002 0.000 0.249 187 V C 2.590 178.647 176.094 -0.063 0.000 1.053 187 V CA 1.995 64.269 62.300 -0.043 0.000 1.068 187 V CB -1.361 30.435 31.823 -0.046 0.000 0.689 187 V HN 0.816 nan 8.190 nan 0.000 0.462 188 E N 0.376 120.536 120.200 -0.066 0.000 2.058 188 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 188 E C 2.134 178.676 176.600 -0.096 0.000 0.997 188 E CA 1.509 57.845 56.400 -0.107 0.000 0.801 188 E CB -0.576 29.063 29.700 -0.100 0.000 0.746 188 E HN 0.426 nan 8.360 nan 0.000 0.450 189 V N 0.991 120.885 119.914 -0.035 0.000 2.407 189 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 189 V C 2.015 178.120 176.094 0.018 0.000 1.055 189 V CA 1.801 64.109 62.300 0.013 0.000 1.049 189 V CB -0.418 31.432 31.823 0.045 0.000 0.662 189 V HN 0.179 nan 8.190 nan 0.000 0.455 190 K N -0.138 120.257 120.400 -0.009 0.000 2.097 190 K HA -0.197 4.122 4.320 -0.002 0.000 0.205 190 K C 2.254 178.836 176.600 -0.031 0.000 1.050 190 K CA 1.543 57.820 56.287 -0.016 0.000 0.938 190 K CB -0.116 32.358 32.500 -0.043 0.000 0.718 190 K HN 0.525 nan 8.250 nan 0.000 0.442 191 E N 0.352 120.515 120.200 -0.062 0.000 2.150 191 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 191 E C 1.975 178.547 176.600 -0.047 0.000 0.985 191 E CA 0.844 57.196 56.400 -0.080 0.000 0.814 191 E CB 0.311 29.925 29.700 -0.143 0.000 0.752 191 E HN 0.204 nan 8.360 nan 0.000 0.466 192 Q N -0.043 119.726 119.800 -0.051 0.000 1.990 192 Q HA -0.110 4.229 4.340 -0.002 0.000 0.200 192 Q C 2.221 178.241 176.000 0.034 0.000 0.980 192 Q CA 1.418 57.222 55.803 0.002 0.000 0.832 192 Q CB -0.491 28.257 28.738 0.016 0.000 0.897 192 Q HN 0.325 nan 8.270 nan 0.000 0.427 193 A N 0.852 123.701 122.820 0.049 0.000 1.940 193 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 193 A C 2.108 179.634 177.584 -0.097 0.000 1.176 193 A CA 1.390 53.415 52.037 -0.020 0.000 0.631 193 A CB -0.613 18.510 19.000 0.205 0.000 0.814 193 A HN 0.333 nan 8.150 nan 0.000 0.446 194 I N -1.211 119.360 120.570 0.002 0.000 2.252 194 I HA -0.201 3.968 4.170 -0.002 0.000 0.245 194 I C 2.228 178.419 176.117 0.124 0.000 1.102 194 I CA 1.116 62.436 61.300 0.033 0.000 1.385 194 I CB -0.448 37.566 38.000 0.023 0.000 1.064 194 I HN 0.648 nan 8.210 nan 0.000 0.414 195 W N 1.264 122.532 121.300 -0.053 0.000 2.318 195 W HA -0.338 4.321 4.660 -0.001 0.000 0.313 195 W C 2.305 178.801 176.519 -0.037 0.000 1.221 195 W CA 1.848 59.183 57.345 -0.015 0.000 1.266 195 W CB -0.255 29.142 29.460 -0.106 0.000 1.150 195 W HN 0.301 nan 8.180 nan 0.000 0.496 196 A N 0.771 123.456 122.820 -0.226 0.000 1.883 196 A HA -0.226 4.093 4.320 -0.002 0.000 0.217 196 A C 2.080 179.425 177.584 -0.397 0.000 1.186 196 A CA 1.930 53.663 52.037 -0.507 0.000 0.624 196 A CB -1.207 17.102 19.000 -1.151 0.000 0.822 196 A HN 0.397 nan 8.150 nan 0.000 0.444 197 L N -0.915 120.130 121.223 -0.297 0.000 2.217 197 L HA -0.024 4.315 4.340 -0.002 0.000 0.211 197 L C 2.737 179.544 176.870 -0.104 0.000 1.107 197 L CA 0.644 55.389 54.840 -0.158 0.000 0.783 197 L CB -0.550 41.457 42.059 -0.087 0.000 0.919 197 L HN 0.500 nan 8.230 nan 0.000 0.442 198 G N -0.153 108.607 108.800 -0.066 0.000 2.404 198 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.215 198 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.215 198 G C 1.413 176.208 174.900 -0.174 0.000 1.174 198 G CA 0.496 45.551 45.100 -0.074 0.000 0.780 198 G HN 0.302 nan 8.290 nan 0.000 0.537 199 N N 0.282 118.883 118.700 -0.165 0.000 2.188 199 N HA -0.088 4.651 4.740 -0.002 0.000 0.184 199 N C 2.347 177.803 175.510 -0.089 0.000 1.018 199 N CA 1.158 54.108 53.050 -0.167 0.000 0.858 199 N CB -0.092 38.189 38.487 -0.343 0.000 0.989 199 N HN 0.181 nan 8.380 nan 0.000 0.426 200 V N 1.705 121.569 119.914 -0.084 0.000 2.358 200 V HA -0.137 3.982 4.120 -0.002 0.000 0.246 200 V C 2.439 178.576 176.094 0.071 0.000 1.047 200 V CA 1.693 63.998 62.300 0.009 0.000 1.035 200 V CB -0.775 31.027 31.823 -0.035 0.000 0.658 200 V HN 0.257 nan 8.190 nan 0.000 0.452 201 A N 0.394 123.205 122.820 -0.015 0.000 2.015 201 A HA -0.025 4.294 4.320 -0.002 0.000 0.219 201 A C 2.259 179.804 177.584 -0.065 0.000 1.163 201 A CA 1.651 53.676 52.037 -0.019 0.000 0.646 201 A CB -0.824 18.129 19.000 -0.079 0.000 0.806 201 A HN 0.549 nan 8.150 nan 0.000 0.448 202 G N -0.860 107.865 108.800 -0.126 0.000 2.712 202 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.212 202 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.212 202 G C 1.047 175.893 174.900 -0.091 0.000 1.142 202 G CA 0.991 45.994 45.100 -0.162 0.000 0.789 202 G HN 0.566 nan 8.290 nan 0.000 0.535 203 D N 0.199 120.587 120.400 -0.020 0.000 2.117 203 D HA -0.017 4.622 4.640 -0.002 0.000 0.197 203 D C 1.437 177.655 176.300 -0.138 0.000 0.987 203 D CA 1.497 55.469 54.000 -0.047 0.000 0.829 203 D CB 0.212 41.031 40.800 0.031 0.000 0.961 203 D HN 0.398 nan 8.370 nan 0.000 0.460 204 S N -3.566 112.051 115.700 -0.138 0.000 2.636 204 S HA 0.198 4.667 4.470 -0.002 0.000 0.266 204 S C 0.806 175.348 174.600 -0.097 0.000 1.147 204 S CA -0.135 57.966 58.200 -0.165 0.000 0.815 204 S CB 0.742 63.771 63.200 -0.284 0.000 1.119 204 S HN 0.070 nan 8.310 nan 0.000 0.470 205 T N -1.753 112.747 114.554 -0.090 0.000 2.962 205 T HA 0.006 4.355 4.350 -0.002 0.000 0.270 205 T C 0.783 175.483 174.700 0.001 0.000 1.088 205 T CA 1.780 63.852 62.100 -0.047 0.000 1.127 205 T CB -0.784 68.055 68.868 -0.048 0.000 0.883 205 T HN 0.526 nan 8.240 nan 0.000 0.493 206 D N 0.583 120.974 120.400 -0.014 0.000 2.091 206 D HA 0.019 4.658 4.640 -0.002 0.000 0.199 206 D C 1.790 178.227 176.300 0.230 0.000 0.980 206 D CA 1.162 55.200 54.000 0.062 0.000 0.831 206 D CB -0.455 40.340 40.800 -0.008 0.000 0.987 206 D HN 0.553 nan 8.370 nan 0.000 0.460 207 Y N 0.500 120.809 120.300 0.016 0.000 2.274 207 Y HA -0.149 4.400 4.550 -0.001 0.000 0.290 207 Y C 2.609 178.563 175.900 0.090 0.000 1.145 207 Y CA 0.397 58.535 58.100 0.064 0.000 1.203 207 Y CB 0.098 38.565 38.460 0.012 0.000 0.984 207 Y HN -0.084 nan 8.280 nan 0.000 0.533 208 R N 1.018 121.627 120.500 0.181 0.000 2.070 208 R HA -0.194 4.145 4.340 -0.002 0.000 0.232 208 R C 1.548 177.896 176.300 0.080 0.000 1.138 208 R CA 2.235 58.382 56.100 0.078 0.000 0.936 208 R CB -0.398 29.907 30.300 0.008 0.000 0.839 208 R HN 0.235 nan 8.270 nan 0.000 0.429 209 D N -0.249 120.205 120.400 0.090 0.000 2.133 209 D HA -0.229 4.410 4.640 -0.002 0.000 0.195 209 D C 1.687 178.053 176.300 0.109 0.000 0.997 209 D CA 1.447 55.498 54.000 0.084 0.000 0.840 209 D CB -0.541 40.309 40.800 0.084 0.000 0.947 209 D HN 0.374 nan 8.370 nan 0.000 0.452 210 Y N 1.487 121.814 120.300 0.046 0.000 2.224 210 Y HA -0.196 4.353 4.550 -0.001 0.000 0.289 210 Y C 2.182 178.086 175.900 0.008 0.000 1.146 210 Y CA 1.019 59.136 58.100 0.029 0.000 1.182 210 Y CB -0.288 38.191 38.460 0.031 0.000 0.983 210 Y HN -0.203 nan 8.280 nan 0.000 0.524 211 V N 0.655 120.543 119.914 -0.043 0.000 2.407 211 V HA -0.322 3.798 4.120 -0.002 0.000 0.248 211 V C 2.447 178.458 176.094 -0.138 0.000 1.055 211 V CA 2.010 64.225 62.300 -0.141 0.000 1.049 211 V CB -0.719 31.088 31.823 -0.026 0.000 0.662 211 V HN 0.463 nan 8.190 nan 0.000 0.455 212 L N -0.839 120.340 121.223 -0.073 0.000 2.027 212 L HA -0.231 4.108 4.340 -0.002 0.000 0.206 212 L C 2.659 179.485 176.870 -0.072 0.000 1.074 212 L CA 1.626 56.433 54.840 -0.055 0.000 0.745 212 L CB -0.633 41.413 42.059 -0.022 0.000 0.898 212 L HN 0.300 nan 8.230 nan 0.000 0.433 213 Q N -0.658 119.093 119.800 -0.081 0.000 2.112 213 Q HA -0.231 4.108 4.340 -0.002 0.000 0.206 213 Q C 2.079 178.002 176.000 -0.128 0.000 0.987 213 Q CA 1.798 57.553 55.803 -0.080 0.000 0.858 213 Q CB -0.320 28.390 28.738 -0.047 0.000 0.905 213 Q HN 0.541 nan 8.270 nan 0.000 0.420 214 C N 1.654 120.811 119.300 -0.238 0.000 2.511 214 C HA 0.030 4.489 4.460 -0.002 0.000 0.300 214 C C -0.098 174.833 174.990 -0.097 0.000 1.436 214 C CA -0.508 58.383 59.018 -0.211 0.000 1.628 214 C CB -2.051 25.483 27.740 -0.344 0.000 1.599 214 C HN 0.496 nan 8.230 nan 0.000 0.599 215 N N -0.069 118.592 118.700 -0.065 0.000 2.688 215 N HA -0.205 4.535 4.740 -0.002 0.000 0.258 215 N C 0.646 176.149 175.510 -0.011 0.000 1.016 215 N CA 0.940 53.979 53.050 -0.019 0.000 0.747 215 N CB -0.917 37.578 38.487 0.015 0.000 0.895 215 N HN 0.705 nan 8.380 nan 0.000 0.543 216 A N -0.185 122.613 122.820 -0.038 0.000 2.030 216 A HA 0.031 4.350 4.320 -0.002 0.000 0.215 216 A C 2.184 179.744 177.584 -0.039 0.000 1.164 216 A CA 1.142 53.154 52.037 -0.041 0.000 0.697 216 A CB -0.090 18.883 19.000 -0.046 0.000 0.827 216 A HN 0.297 nan 8.150 nan 0.000 0.457 217 M N 0.683 120.267 119.600 -0.027 0.000 2.089 217 M HA -0.206 4.274 4.480 -0.002 0.000 0.257 217 M C 1.793 178.085 176.300 -0.013 0.000 1.071 217 M CA 2.220 57.510 55.300 -0.016 0.000 1.096 217 M CB -0.772 31.813 32.600 -0.025 0.000 1.330 217 M HN 0.595 nan 8.290 nan 0.000 0.403 218 E N -0.466 119.728 120.200 -0.011 0.000 2.033 218 E HA -0.211 4.138 4.350 -0.002 0.000 0.199 218 E C -0.770 175.793 176.600 -0.061 0.000 1.011 218 E CA 2.033 58.435 56.400 0.003 0.000 0.815 218 E CB -1.052 28.686 29.700 0.062 0.000 0.755 218 E HN 0.396 nan 8.360 nan 0.000 0.451 219 P HA -0.132 nan 4.420 nan 0.000 0.217 219 P C 1.606 178.779 177.300 -0.212 0.000 1.150 219 P CA 1.187 64.030 63.100 -0.429 0.000 0.832 219 P CB -0.164 31.066 31.700 -0.785 0.000 0.787 220 I N -0.558 119.947 120.570 -0.108 0.000 2.163 220 I HA -0.237 3.932 4.170 -0.002 0.000 0.243 220 I C 2.607 178.767 176.117 0.072 0.000 1.085 220 I CA 1.293 62.573 61.300 -0.033 0.000 1.347 220 I CB -0.698 37.322 38.000 0.033 0.000 1.044 220 I HN -0.161 nan 8.210 nan 0.000 0.408 221 L N 0.337 121.648 121.223 0.147 0.000 2.042 221 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 221 L C 2.631 179.631 176.870 0.216 0.000 1.076 221 L CA 1.556 56.560 54.840 0.274 0.000 0.749 221 L CB -1.345 40.787 42.059 0.121 0.000 0.893 221 L HN 0.357 nan 8.230 nan 0.000 0.432 222 G N 0.163 108.999 108.800 0.060 0.000 2.516 222 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.221 222 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.221 222 G C 1.561 176.448 174.900 -0.022 0.000 1.107 222 G CA 0.577 45.686 45.100 0.016 0.000 0.747 222 G HN 0.315 nan 8.290 nan 0.000 0.567 223 L N -1.217 119.947 121.223 -0.098 0.000 2.270 223 L HA 0.231 4.570 4.340 -0.002 0.000 0.210 223 L C 1.864 178.578 176.870 -0.262 0.000 1.104 223 L CA 0.113 54.816 54.840 -0.228 0.000 0.804 223 L CB -0.177 41.657 42.059 -0.375 0.000 0.937 223 L HN 0.094 nan 8.230 nan 0.000 0.450 224 F N 0.384 120.333 119.950 -0.003 0.000 2.805 224 F HA -0.031 4.495 4.527 -0.002 0.000 0.301 224 F C 1.606 177.409 175.800 0.005 0.000 1.196 224 F CA 0.453 58.457 58.000 0.006 0.000 1.439 224 F CB -0.804 38.202 39.000 0.009 0.000 1.117 224 F HN 0.166 nan 8.300 nan 0.000 0.581 225 N N -0.766 117.999 118.700 0.108 0.000 2.416 225 N HA -0.136 4.603 4.740 -0.002 0.000 0.177 225 N C 2.077 177.606 175.510 0.032 0.000 1.036 225 N CA 0.812 53.902 53.050 0.066 0.000 0.901 225 N CB -0.114 38.402 38.487 0.048 0.000 0.976 225 N HN 0.144 nan 8.380 nan 0.000 0.444 226 S N 1.170 116.869 115.700 -0.003 0.000 2.419 226 S HA -0.257 4.212 4.470 -0.002 0.000 0.235 226 S C 0.978 175.574 174.600 -0.007 0.000 1.019 226 S CA 0.979 59.168 58.200 -0.020 0.000 0.982 226 S CB -0.546 62.620 63.200 -0.056 0.000 0.789 226 S HN 0.485 nan 8.310 nan 0.000 0.490 227 N N -0.134 118.571 118.700 0.009 0.000 2.725 227 N HA -0.217 4.522 4.740 -0.002 0.000 0.249 227 N C -0.763 174.746 175.510 -0.000 0.000 1.103 227 N CA 0.796 53.854 53.050 0.014 0.000 0.707 227 N CB -0.756 37.740 38.487 0.015 0.000 1.043 227 N HN 0.491 nan 8.380 nan 0.000 0.553 228 K N 0.661 121.053 120.400 -0.014 0.000 2.449 228 K HA 0.425 4.744 4.320 -0.002 0.000 0.257 228 K C -1.980 174.604 176.600 -0.027 0.000 0.989 228 K CA -2.179 54.092 56.287 -0.027 0.000 0.916 228 K CB 1.436 33.910 32.500 -0.043 0.000 1.136 228 K HN -0.175 nan 8.250 nan 0.000 0.439 229 P HA -0.231 nan 4.420 nan 0.000 0.215 229 P C 0.886 178.174 177.300 -0.021 0.000 1.157 229 P CA 1.541 64.638 63.100 -0.006 0.000 0.874 229 P CB 0.197 31.894 31.700 -0.005 0.000 0.790 230 S N -1.167 114.504 115.700 -0.049 0.000 2.419 230 S HA -0.141 4.328 4.470 -0.002 0.000 0.233 230 S C 1.855 176.403 174.600 -0.087 0.000 1.016 230 S CA 1.030 59.184 58.200 -0.078 0.000 0.974 230 S CB -1.335 61.800 63.200 -0.107 0.000 0.786 230 S HN 0.016 nan 8.310 nan 0.000 0.492 231 L N 0.938 122.110 121.223 -0.086 0.000 2.162 231 L HA 0.394 4.733 4.340 -0.002 0.000 0.205 231 L C 2.083 178.877 176.870 -0.128 0.000 1.086 231 L CA 1.177 55.953 54.840 -0.107 0.000 0.778 231 L CB -0.485 41.504 42.059 -0.117 0.000 0.928 231 L HN 0.327 nan 8.230 nan 0.000 0.446 232 I N -0.657 119.859 120.570 -0.091 0.000 2.315 232 I HA -0.247 3.922 4.170 -0.002 0.000 0.248 232 I C 2.697 178.855 176.117 0.068 0.000 1.117 232 I CA 1.091 62.357 61.300 -0.057 0.000 1.404 232 I CB -0.335 37.709 38.000 0.074 0.000 1.071 232 I HN 0.272 nan 8.210 nan 0.000 0.419 233 R N 0.473 121.006 120.500 0.055 0.000 2.073 233 R HA -0.169 4.170 4.340 -0.002 0.000 0.234 233 R C 2.229 178.614 176.300 0.140 0.000 1.134 233 R CA 2.177 58.333 56.100 0.093 0.000 0.952 233 R CB -0.278 30.037 30.300 0.026 0.000 0.850 233 R HN 0.264 nan 8.270 nan 0.000 0.433 234 T N 0.510 115.109 114.554 0.075 0.000 2.770 234 T HA -0.038 4.311 4.350 -0.002 0.000 0.263 234 T C 1.827 176.676 174.700 0.249 0.000 1.039 234 T CA 1.192 63.387 62.100 0.158 0.000 1.142 234 T CB -0.281 68.610 68.868 0.038 0.000 0.868 234 T HN 0.436 nan 8.240 nan 0.000 0.435 235 A N 1.395 124.259 122.820 0.072 0.000 1.940 235 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 235 A C 2.516 180.279 177.584 0.298 0.000 1.176 235 A CA 2.128 54.169 52.037 0.006 0.000 0.631 235 A CB -1.232 17.436 19.000 -0.553 0.000 0.814 235 A HN 0.483 nan 8.150 nan 0.000 0.446 236 T N -1.974 112.819 114.554 0.399 0.000 2.812 236 T HA -0.159 4.190 4.350 -0.002 0.000 0.264 236 T C 1.441 176.347 174.700 0.344 0.000 1.042 236 T CA 1.288 63.646 62.100 0.430 0.000 1.140 236 T CB -0.324 68.765 68.868 0.369 0.000 0.870 236 T HN 0.723 nan 8.240 nan 0.000 0.445 237 W N 2.120 123.533 121.300 0.189 0.000 2.315 237 W HA -0.243 4.415 4.660 -0.002 0.000 0.323 237 W C 2.371 178.983 176.519 0.154 0.000 1.233 237 W CA 1.995 59.448 57.345 0.181 0.000 1.267 237 W CB -0.952 28.642 29.460 0.223 0.000 1.160 237 W HN 0.111 nan 8.180 nan 0.000 0.474 238 T N 1.370 116.088 114.554 0.273 0.000 2.737 238 T HA -0.285 4.064 4.350 -0.002 0.000 0.269 238 T C 1.639 176.317 174.700 -0.036 0.000 1.040 238 T CA 1.754 63.858 62.100 0.007 0.000 1.142 238 T CB -0.786 68.173 68.868 0.152 0.000 0.861 238 T HN 0.180 nan 8.240 nan 0.000 0.456 239 L N 1.802 123.080 121.223 0.092 0.000 2.056 239 L HA -0.071 4.269 4.340 -0.002 0.000 0.207 239 L C 2.602 179.501 176.870 0.049 0.000 1.078 239 L CA 2.120 57.018 54.840 0.097 0.000 0.749 239 L CB -0.862 41.312 42.059 0.192 0.000 0.901 239 L HN 0.347 nan 8.230 nan 0.000 0.433 240 S N -0.991 114.740 115.700 0.051 0.000 2.383 240 S HA -0.156 4.313 4.470 -0.002 0.000 0.227 240 S C 1.846 176.497 174.600 0.084 0.000 1.026 240 S CA 1.186 59.461 58.200 0.126 0.000 0.981 240 S CB -0.827 62.459 63.200 0.145 0.000 0.818 240 S HN 0.535 nan 8.310 nan 0.000 0.472 241 N N 1.974 120.572 118.700 -0.169 0.000 2.309 241 N HA 0.125 4.864 4.740 -0.002 0.000 0.182 241 N C 1.585 176.999 175.510 -0.160 0.000 1.018 241 N CA 0.986 53.876 53.050 -0.266 0.000 0.876 241 N CB -0.634 37.565 38.487 -0.480 0.000 0.972 241 N HN 0.460 nan 8.380 nan 0.000 0.434 242 L N -0.494 120.676 121.223 -0.089 0.000 2.201 242 L HA -0.077 4.262 4.340 -0.002 0.000 0.212 242 L C 1.723 178.582 176.870 -0.019 0.000 1.105 242 L CA 0.568 55.380 54.840 -0.047 0.000 0.775 242 L CB -0.173 41.872 42.059 -0.023 0.000 0.913 242 L HN 0.183 nan 8.230 nan 0.000 0.440 243 C N -1.208 118.110 119.300 0.031 0.000 2.563 243 C HA 0.065 4.524 4.460 -0.002 0.000 0.268 243 C C 1.711 176.703 174.990 0.004 0.000 1.365 243 C CA -0.597 58.478 59.018 0.095 0.000 1.754 243 C CB -0.875 27.010 27.740 0.242 0.000 1.932 243 C HN 0.328 nan 8.230 nan 0.000 0.536 244 R N 1.148 121.501 120.500 -0.245 0.000 2.641 244 R HA 0.453 4.792 4.340 -0.002 0.000 0.269 244 R C 0.198 176.270 176.300 -0.379 0.000 1.074 244 R CA 1.302 56.952 56.100 -0.749 0.000 1.133 244 R CB 0.079 29.869 30.300 -0.850 0.000 1.029 244 R HN 0.458 nan 8.270 nan 0.000 0.488 245 G N 2.212 110.789 108.800 -0.372 0.000 3.190 245 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.686 245 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.686 245 G C -0.259 174.591 174.900 -0.082 0.000 1.033 245 G CA -0.056 44.932 45.100 -0.186 0.000 0.797 245 G HN 0.704 nan 8.290 nan 0.000 0.567 246 K N 0.328 120.696 120.400 -0.054 0.000 2.335 246 K HA 0.134 4.453 4.320 -0.002 0.000 0.195 246 K C 0.905 177.497 176.600 -0.013 0.000 1.058 246 K CA 0.910 57.189 56.287 -0.013 0.000 0.988 246 K CB -0.007 32.491 32.500 -0.004 0.000 0.880 246 K HN 0.562 nan 8.250 nan 0.000 0.513 247 K N 2.412 122.796 120.400 -0.026 0.000 2.540 247 K HA 0.326 4.645 4.320 -0.002 0.000 0.218 247 K C -2.730 173.854 176.600 -0.027 0.000 1.017 247 K CA -1.475 54.799 56.287 -0.022 0.000 1.029 247 K CB 1.439 33.925 32.500 -0.025 0.000 1.348 247 K HN -0.058 nan 8.250 nan 0.000 0.508 248 P HA 0.183 nan 4.420 nan 0.000 0.283 248 P C -0.411 176.890 177.300 0.003 0.000 1.271 248 P CA -0.619 62.479 63.100 -0.003 0.000 0.841 248 P CB 0.877 32.580 31.700 0.005 0.000 1.122 249 Q N 0.654 120.466 119.800 0.021 0.000 2.479 249 Q HA 0.136 4.475 4.340 -0.002 0.000 0.267 249 Q C -1.807 174.226 176.000 0.055 0.000 1.071 249 Q CA -0.720 55.112 55.803 0.047 0.000 0.935 249 Q CB -0.531 28.253 28.738 0.077 0.000 1.295 249 Q HN 0.437 nan 8.270 nan 0.000 0.476 250 P HA -0.003 nan 4.420 nan 0.000 0.277 250 P C -0.608 176.758 177.300 0.110 0.000 1.271 250 P CA -0.361 62.779 63.100 0.068 0.000 0.795 250 P CB 0.384 32.114 31.700 0.050 0.000 1.101 251 D N 0.475 120.925 120.400 0.083 0.000 2.342 251 D HA -0.071 4.568 4.640 -0.002 0.000 0.260 251 D C 1.174 177.547 176.300 0.122 0.000 1.278 251 D CA -0.153 53.907 54.000 0.101 0.000 0.910 251 D CB -0.234 40.600 40.800 0.056 0.000 1.079 251 D HN 0.370 nan 8.370 nan 0.000 0.496 252 W N 3.792 125.099 121.300 0.011 0.000 2.342 252 W HA -0.264 4.395 4.660 -0.002 0.000 0.297 252 W C 1.470 177.996 176.519 0.012 0.000 1.213 252 W CA 1.681 59.035 57.345 0.013 0.000 1.251 252 W CB -0.283 29.185 29.460 0.013 0.000 1.136 252 W HN 0.540 nan 8.180 nan 0.000 0.526 253 S N 0.038 115.722 115.700 -0.027 0.000 2.447 253 S HA -0.149 4.320 4.470 -0.002 0.000 0.233 253 S C 1.651 176.146 174.600 -0.175 0.000 1.006 253 S CA 1.398 59.532 58.200 -0.110 0.000 0.957 253 S CB -0.677 62.542 63.200 0.032 0.000 0.773 253 S HN 0.089 nan 8.310 nan 0.000 0.507 254 V N 2.082 121.912 119.914 -0.141 0.000 2.426 254 V HA -0.039 4.080 4.120 -0.002 0.000 0.242 254 V C 2.740 178.722 176.094 -0.187 0.000 1.036 254 V CA 1.187 63.410 62.300 -0.128 0.000 1.044 254 V CB -0.627 31.157 31.823 -0.064 0.000 0.688 254 V HN 0.574 nan 8.190 nan 0.000 0.462 255 V N 0.005 119.785 119.914 -0.224 0.000 2.453 255 V HA -0.126 3.993 4.120 -0.002 0.000 0.247 255 V C 2.575 178.457 176.094 -0.353 0.000 1.048 255 V CA 1.779 63.951 62.300 -0.213 0.000 1.049 255 V CB -1.326 30.426 31.823 -0.118 0.000 0.672 255 V HN 0.613 nan 8.190 nan 0.000 0.457 256 S N 0.861 116.138 115.700 -0.705 0.000 2.440 256 S HA -0.331 4.138 4.470 -0.002 0.000 0.240 256 S C 1.833 176.191 174.600 -0.403 0.000 1.014 256 S CA 1.880 59.589 58.200 -0.819 0.000 0.980 256 S CB -0.970 61.339 63.200 -1.485 0.000 0.775 256 S HN 0.781 nan 8.310 nan 0.000 0.499 257 Q N 0.479 120.106 119.800 -0.289 0.000 2.541 257 Q HA 0.226 4.565 4.340 -0.002 0.000 0.215 257 Q C 1.993 177.913 176.000 -0.134 0.000 0.977 257 Q CA 0.825 56.527 55.803 -0.168 0.000 0.934 257 Q CB -0.314 28.353 28.738 -0.118 0.000 0.988 257 Q HN 0.839 nan 8.270 nan 0.000 0.521 258 A N -0.022 122.705 122.820 -0.156 0.000 2.220 258 A HA 0.105 4.424 4.320 -0.002 0.000 0.211 258 A C 1.784 179.287 177.584 -0.136 0.000 1.176 258 A CA -0.131 51.825 52.037 -0.135 0.000 0.834 258 A CB -0.009 18.922 19.000 -0.115 0.000 0.868 258 A HN 0.247 nan 8.150 nan 0.000 0.488 259 L N 0.092 121.239 121.223 -0.126 0.000 1.978 259 L HA -0.189 4.150 4.340 -0.002 0.000 0.218 259 L C -0.432 176.395 176.870 -0.072 0.000 1.075 259 L CA 2.020 56.810 54.840 -0.084 0.000 0.767 259 L CB -1.666 40.358 42.059 -0.059 0.000 0.890 259 L HN 0.212 nan 8.230 nan 0.000 0.434 260 P HA -0.167 nan 4.420 nan 0.000 0.216 260 P C 1.600 178.853 177.300 -0.079 0.000 1.154 260 P CA 1.670 64.737 63.100 -0.055 0.000 0.865 260 P CB -0.124 31.547 31.700 -0.048 0.000 0.789 261 T N -0.531 113.943 114.554 -0.134 0.000 2.770 261 T HA -0.049 4.300 4.350 -0.002 0.000 0.263 261 T C 1.796 176.354 174.700 -0.237 0.000 1.039 261 T CA 0.971 62.936 62.100 -0.225 0.000 1.142 261 T CB -0.936 67.689 68.868 -0.405 0.000 0.868 261 T HN 0.039 nan 8.240 nan 0.000 0.435 262 L N 1.061 122.158 121.223 -0.210 0.000 2.042 262 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 262 L C 3.030 179.861 176.870 -0.065 0.000 1.076 262 L CA 1.327 56.080 54.840 -0.146 0.000 0.749 262 L CB -0.711 41.284 42.059 -0.107 0.000 0.893 262 L HN 0.242 nan 8.230 nan 0.000 0.432 263 A N -0.051 122.749 122.820 -0.034 0.000 1.978 263 A HA -0.236 4.084 4.320 -0.002 0.000 0.220 263 A C 2.323 179.982 177.584 0.126 0.000 1.170 263 A CA 1.862 53.920 52.037 0.035 0.000 0.636 263 A CB -0.331 18.691 19.000 0.035 0.000 0.810 263 A HN 0.378 nan 8.150 nan 0.000 0.448 264 K N -0.600 119.841 120.400 0.068 0.000 2.116 264 K HA 0.152 4.471 4.320 -0.002 0.000 0.203 264 K C 1.702 178.388 176.600 0.144 0.000 1.052 264 K CA 0.891 57.247 56.287 0.114 0.000 0.952 264 K CB -0.250 32.263 32.500 0.022 0.000 0.729 264 K HN 0.426 nan 8.250 nan 0.000 0.446 265 L N 1.433 122.678 121.223 0.036 0.000 2.201 265 L HA -0.098 4.241 4.340 -0.002 0.000 0.212 265 L C 2.093 178.983 176.870 0.033 0.000 1.105 265 L CA 0.807 55.663 54.840 0.028 0.000 0.775 265 L CB -0.486 41.546 42.059 -0.045 0.000 0.913 265 L HN 0.273 nan 8.230 nan 0.000 0.440 266 I N -4.759 115.806 120.570 -0.007 0.000 3.444 266 I HA -0.171 3.998 4.170 -0.002 0.000 0.287 266 I C 1.367 177.344 176.117 -0.233 0.000 1.302 266 I CA 0.910 62.139 61.300 -0.120 0.000 1.368 266 I CB -0.483 37.409 38.000 -0.179 0.000 1.048 266 I HN 0.098 nan 8.210 nan 0.000 0.487 267 Y N 0.987 121.285 120.300 -0.003 0.000 2.457 267 Y HA 0.254 4.803 4.550 -0.001 0.000 0.263 267 Y C 1.838 177.751 175.900 0.022 0.000 1.164 267 Y CA -0.183 57.923 58.100 0.010 0.000 1.274 267 Y CB 0.123 38.586 38.460 0.005 0.000 1.097 267 Y HN 0.171 nan 8.280 nan 0.000 0.523 268 S N 0.340 116.119 115.700 0.132 0.000 2.568 268 S HA -0.001 4.469 4.470 -0.002 0.000 0.282 268 S C 1.186 175.839 174.600 0.088 0.000 1.338 268 S CA -0.186 58.076 58.200 0.103 0.000 1.045 268 S CB 0.481 63.735 63.200 0.089 0.000 0.873 268 S HN 0.269 nan 8.310 nan 0.000 0.516 269 M N 2.262 121.912 119.600 0.083 0.000 2.428 269 M HA 0.198 4.677 4.480 -0.002 0.000 0.239 269 M C 0.123 176.465 176.300 0.070 0.000 1.121 269 M CA 0.114 55.460 55.300 0.077 0.000 1.019 269 M CB -1.215 31.424 32.600 0.065 0.000 1.485 269 M HN 0.639 nan 8.290 nan 0.000 0.484 270 D N 0.659 121.098 120.400 0.064 0.000 2.339 270 D HA 0.134 4.773 4.640 -0.002 0.000 0.241 270 D C 0.954 177.286 176.300 0.054 0.000 1.183 270 D CA 0.330 54.364 54.000 0.055 0.000 0.859 270 D CB 1.208 42.040 40.800 0.053 0.000 1.067 270 D HN 0.004 nan 8.370 nan 0.000 0.484 271 T N 3.019 117.605 114.554 0.054 0.000 2.665 271 T HA -0.206 4.143 4.350 -0.002 0.000 0.268 271 T C 1.368 176.088 174.700 0.034 0.000 1.035 271 T CA 1.521 63.643 62.100 0.037 0.000 1.151 271 T CB -0.147 68.752 68.868 0.051 0.000 0.862 271 T HN 0.505 nan 8.240 nan 0.000 0.438 272 E N 0.539 120.771 120.200 0.053 0.000 2.110 272 E HA -0.089 4.260 4.350 -0.002 0.000 0.193 272 E C 2.461 179.129 176.600 0.113 0.000 0.988 272 E CA 1.360 57.809 56.400 0.082 0.000 0.804 272 E CB -0.423 29.316 29.700 0.065 0.000 0.745 272 E HN 0.377 nan 8.360 nan 0.000 0.458 273 T N 1.119 115.732 114.554 0.097 0.000 2.674 273 T HA -0.146 4.203 4.350 -0.002 0.000 0.265 273 T C 1.726 176.481 174.700 0.092 0.000 1.039 273 T CA 1.016 63.189 62.100 0.121 0.000 1.150 273 T CB -0.331 68.605 68.868 0.113 0.000 0.864 273 T HN 0.044 nan 8.240 nan 0.000 0.427 274 L N 1.515 122.764 121.223 0.044 0.000 2.013 274 L HA -0.088 4.251 4.340 -0.002 0.000 0.212 274 L C 2.478 179.326 176.870 -0.037 0.000 1.073 274 L CA 1.602 56.432 54.840 -0.016 0.000 0.753 274 L CB -0.975 41.051 42.059 -0.055 0.000 0.890 274 L HN 0.096 nan 8.230 nan 0.000 0.432 275 V N -0.108 119.804 119.914 -0.004 0.000 2.287 275 V HA -0.313 3.806 4.120 -0.002 0.000 0.248 275 V C 2.257 178.448 176.094 0.161 0.000 1.053 275 V CA 2.120 64.441 62.300 0.035 0.000 1.027 275 V CB -0.779 31.121 31.823 0.128 0.000 0.646 275 V HN 0.466 nan 8.190 nan 0.000 0.447 276 D N -0.166 120.373 120.400 0.231 0.000 2.194 276 D HA 0.005 4.644 4.640 -0.002 0.000 0.204 276 D C 2.201 178.606 176.300 0.176 0.000 0.964 276 D CA 1.348 55.531 54.000 0.304 0.000 0.846 276 D CB -0.293 40.697 40.800 0.316 0.000 0.962 276 D HN 0.411 nan 8.370 nan 0.000 0.490 277 A N 0.428 123.302 122.820 0.089 0.000 1.877 277 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 277 A C 2.496 180.045 177.584 -0.059 0.000 1.186 277 A CA 1.390 53.433 52.037 0.011 0.000 0.620 277 A CB -1.055 17.938 19.000 -0.012 0.000 0.822 277 A HN 0.349 nan 8.150 nan 0.000 0.443 278 C N -2.668 116.559 119.300 -0.121 0.000 2.401 278 C HA -0.205 4.254 4.460 -0.002 0.000 0.276 278 C C 2.418 177.194 174.990 -0.357 0.000 1.233 278 C CA 0.753 59.620 59.018 -0.252 0.000 1.753 278 C CB -1.893 25.640 27.740 -0.345 0.000 2.029 278 C HN 0.812 nan 8.230 nan 0.000 0.478 279 W N 0.846 121.997 121.300 -0.248 0.000 2.358 279 W HA -0.124 4.535 4.660 -0.001 0.000 0.303 279 W C 2.684 178.737 176.519 -0.778 0.000 1.208 279 W CA 1.279 58.308 57.345 -0.526 0.000 1.274 279 W CB -0.530 28.700 29.460 -0.383 0.000 1.138 279 W HN 0.285 nan 8.180 nan 0.000 0.515 280 A N 0.072 122.807 122.820 -0.142 0.000 1.898 280 A HA -0.164 4.156 4.320 -0.002 0.000 0.216 280 A C 1.803 179.364 177.584 -0.038 0.000 1.181 280 A CA 1.611 53.632 52.037 -0.026 0.000 0.620 280 A CB -0.920 18.111 19.000 0.053 0.000 0.819 280 A HN 0.299 nan 8.150 nan 0.000 0.442 281 I N 0.693 121.211 120.570 -0.086 0.000 2.286 281 I HA -0.246 3.923 4.170 -0.002 0.000 0.248 281 I C 2.861 178.949 176.117 -0.049 0.000 1.115 281 I CA 1.505 62.775 61.300 -0.051 0.000 1.392 281 I CB -0.219 37.737 38.000 -0.074 0.000 1.065 281 I HN 0.503 nan 8.210 nan 0.000 0.418 282 S N 0.375 115.976 115.700 -0.165 0.000 2.399 282 S HA -0.205 4.264 4.470 -0.002 0.000 0.231 282 S C 2.040 176.687 174.600 0.079 0.000 1.022 282 S CA 1.036 59.168 58.200 -0.112 0.000 0.983 282 S CB -0.851 62.204 63.200 -0.243 0.000 0.803 282 S HN 0.539 nan 8.310 nan 0.000 0.480 283 Y N 1.423 121.805 120.300 0.137 0.000 2.184 283 Y HA 0.122 4.671 4.550 -0.001 0.000 0.290 283 Y C 2.538 178.520 175.900 0.137 0.000 1.129 283 Y CA 0.592 58.770 58.100 0.130 0.000 1.144 283 Y CB -0.368 38.163 38.460 0.119 0.000 0.995 283 Y HN 0.175 nan 8.280 nan 0.000 0.513 284 L N 0.041 121.443 121.223 0.298 0.000 2.042 284 L HA -0.236 4.103 4.340 -0.002 0.000 0.210 284 L C 2.579 179.623 176.870 0.290 0.000 1.076 284 L CA 1.721 56.759 54.840 0.329 0.000 0.749 284 L CB -0.711 41.500 42.059 0.253 0.000 0.893 284 L HN 0.282 nan 8.230 nan 0.000 0.432 285 S N -2.039 113.769 115.700 0.180 0.000 2.481 285 S HA -0.108 4.361 4.470 -0.002 0.000 0.231 285 S C 0.900 175.555 174.600 0.090 0.000 0.996 285 S CA 0.178 58.447 58.200 0.115 0.000 0.942 285 S CB -0.333 62.908 63.200 0.069 0.000 0.768 285 S HN 0.281 nan 8.310 nan 0.000 0.520 286 D N 1.728 122.206 120.400 0.129 0.000 2.402 286 D HA 0.587 5.226 4.640 -0.002 0.000 0.235 286 D C 0.311 176.653 176.300 0.070 0.000 1.226 286 D CA 0.692 54.762 54.000 0.116 0.000 0.918 286 D CB 0.234 41.133 40.800 0.164 0.000 1.043 286 D HN 0.514 nan 8.370 nan 0.000 0.506 287 G N 3.083 111.889 108.800 0.011 0.000 2.335 287 G HA2 0.257 4.216 3.960 -0.002 0.000 0.291 287 G HA3 0.257 4.216 3.960 -0.002 0.000 0.291 287 G C -2.818 172.019 174.900 -0.105 0.000 1.261 287 G CA -0.839 44.224 45.100 -0.061 0.000 0.871 287 G HN 0.307 nan 8.290 nan 0.000 0.491 288 P HA 0.299 nan 4.420 nan 0.000 0.277 288 P C 0.469 177.662 177.300 -0.178 0.000 1.271 288 P CA -0.279 62.721 63.100 -0.166 0.000 0.795 288 P CB 0.777 32.358 31.700 -0.199 0.000 1.101 289 Q N -0.419 119.303 119.800 -0.131 0.000 2.308 289 Q HA -0.221 4.118 4.340 -0.002 0.000 0.209 289 Q C 1.884 177.804 176.000 -0.133 0.000 0.985 289 Q CA 1.365 57.102 55.803 -0.109 0.000 0.881 289 Q CB -0.082 28.612 28.738 -0.074 0.000 0.917 289 Q HN 0.601 nan 8.270 nan 0.000 0.443 290 E N 0.182 120.263 120.200 -0.199 0.000 2.106 290 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 290 E C 1.797 178.226 176.600 -0.285 0.000 0.984 290 E CA 0.844 57.116 56.400 -0.215 0.000 0.806 290 E CB 0.051 29.588 29.700 -0.272 0.000 0.750 290 E HN 0.350 nan 8.360 nan 0.000 0.458 291 A N 0.994 123.499 122.820 -0.525 0.000 1.897 291 A HA -0.082 4.237 4.320 -0.002 0.000 0.215 291 A C 2.113 179.648 177.584 -0.080 0.000 1.181 291 A CA 0.796 52.451 52.037 -0.635 0.000 0.620 291 A CB -0.509 17.957 19.000 -0.890 0.000 0.821 291 A HN 0.261 nan 8.150 nan 0.000 0.443 292 I N -0.572 119.943 120.570 -0.091 0.000 2.151 292 I HA -0.327 3.842 4.170 -0.002 0.000 0.243 292 I C 2.763 178.890 176.117 0.016 0.000 1.080 292 I CA 1.927 63.216 61.300 -0.017 0.000 1.339 292 I CB -0.241 37.735 38.000 -0.040 0.000 1.039 292 I HN 0.367 nan 8.210 nan 0.000 0.409 293 Q N 0.956 120.757 119.800 0.002 0.000 2.119 293 Q HA -0.134 4.205 4.340 -0.002 0.000 0.201 293 Q C 2.150 178.195 176.000 0.074 0.000 0.972 293 Q CA 1.947 57.766 55.803 0.026 0.000 0.847 293 Q CB -0.315 28.430 28.738 0.012 0.000 0.903 293 Q HN 0.509 nan 8.270 nan 0.000 0.433 294 A N -0.720 122.186 122.820 0.143 0.000 1.940 294 A HA -0.152 4.167 4.320 -0.002 0.000 0.219 294 A C 2.241 179.910 177.584 0.141 0.000 1.176 294 A CA 1.716 53.877 52.037 0.206 0.000 0.631 294 A CB -0.787 18.482 19.000 0.448 0.000 0.814 294 A HN 0.272 nan 8.150 nan 0.000 0.446 295 V N -0.043 119.952 119.914 0.134 0.000 2.307 295 V HA -0.231 3.888 4.120 -0.002 0.000 0.245 295 V C 2.406 178.530 176.094 0.050 0.000 1.045 295 V CA 1.915 64.268 62.300 0.088 0.000 1.024 295 V CB -0.601 31.270 31.823 0.080 0.000 0.651 295 V HN 0.576 nan 8.190 nan 0.000 0.449 296 I N 0.270 120.865 120.570 0.041 0.000 2.208 296 I HA -0.248 3.921 4.170 -0.002 0.000 0.245 296 I C 2.169 178.303 176.117 0.028 0.000 1.097 296 I CA 1.609 62.923 61.300 0.024 0.000 1.363 296 I CB -0.421 37.587 38.000 0.014 0.000 1.051 296 I HN 0.340 nan 8.210 nan 0.000 0.413 297 D N 0.241 120.664 120.400 0.038 0.000 2.224 297 D HA -0.096 4.543 4.640 -0.002 0.000 0.205 297 D C 2.155 178.472 176.300 0.029 0.000 0.965 297 D CA 1.281 55.300 54.000 0.033 0.000 0.852 297 D CB -0.138 40.686 40.800 0.041 0.000 0.947 297 D HN 0.344 nan 8.370 nan 0.000 0.494 298 V N -1.583 118.350 119.914 0.032 0.000 3.510 298 V HA 0.117 4.236 4.120 -0.002 0.000 0.270 298 V C 0.783 176.894 176.094 0.029 0.000 1.201 298 V CA 0.101 62.415 62.300 0.024 0.000 1.166 298 V CB -0.589 31.245 31.823 0.017 0.000 0.825 298 V HN 0.114 nan 8.190 nan 0.000 0.484 299 R N -1.750 118.768 120.500 0.030 0.000 3.854 299 R HA -0.185 4.154 4.340 -0.002 0.000 0.352 299 R C 0.992 177.318 176.300 0.042 0.000 1.156 299 R CA 1.118 57.239 56.100 0.035 0.000 0.917 299 R CB -2.641 27.685 30.300 0.043 0.000 1.471 299 R HN 0.537 nan 8.270 nan 0.000 0.521 300 I N 1.435 122.022 120.570 0.028 0.000 2.163 300 I HA -0.183 3.986 4.170 -0.002 0.000 0.243 300 I C -0.538 175.572 176.117 -0.011 0.000 1.085 300 I CA 1.761 63.067 61.300 0.009 0.000 1.347 300 I CB -0.723 37.276 38.000 -0.002 0.000 1.044 300 I HN 0.116 nan 8.210 nan 0.000 0.408 301 P HA -0.214 nan 4.420 nan 0.000 0.219 301 P C 1.408 178.692 177.300 -0.025 0.000 1.146 301 P CA 1.445 64.531 63.100 -0.024 0.000 0.808 301 P CB -0.178 31.511 31.700 -0.018 0.000 0.779 302 K N 0.054 120.450 120.400 -0.007 0.000 2.002 302 K HA -0.196 4.123 4.320 -0.002 0.000 0.209 302 K C 2.312 178.896 176.600 -0.027 0.000 1.048 302 K CA 1.344 57.630 56.287 -0.002 0.000 0.930 302 K CB -0.168 32.351 32.500 0.032 0.000 0.714 302 K HN -0.196 nan 8.250 nan 0.000 0.438 303 R N 1.229 121.698 120.500 -0.051 0.000 2.092 303 R HA 0.003 4.342 4.340 -0.002 0.000 0.231 303 R C 2.229 178.435 176.300 -0.157 0.000 1.119 303 R CA 1.223 57.224 56.100 -0.166 0.000 0.970 303 R CB -0.689 29.408 30.300 -0.338 0.000 0.864 303 R HN 0.278 nan 8.270 nan 0.000 0.440 304 L N -0.539 120.613 121.223 -0.119 0.000 2.046 304 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 304 L C 2.261 179.079 176.870 -0.087 0.000 1.077 304 L CA 1.173 55.946 54.840 -0.111 0.000 0.747 304 L CB -0.520 41.482 42.059 -0.094 0.000 0.896 304 L HN 0.023 nan 8.230 nan 0.000 0.432 305 V N -0.169 119.705 119.914 -0.066 0.000 2.407 305 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 305 V C 2.364 178.433 176.094 -0.043 0.000 1.055 305 V CA 1.746 64.017 62.300 -0.049 0.000 1.049 305 V CB -0.455 31.346 31.823 -0.037 0.000 0.662 305 V HN 0.469 nan 8.190 nan 0.000 0.455 306 E N -0.077 120.093 120.200 -0.050 0.000 2.106 306 E HA -0.162 4.187 4.350 -0.002 0.000 0.192 306 E C 2.144 178.726 176.600 -0.031 0.000 0.984 306 E CA 1.096 57.472 56.400 -0.040 0.000 0.806 306 E CB -0.160 29.509 29.700 -0.051 0.000 0.750 306 E HN 0.514 nan 8.360 nan 0.000 0.458 307 L N 0.853 122.046 121.223 -0.051 0.000 2.376 307 L HA -0.101 4.238 4.340 -0.002 0.000 0.219 307 L C 2.122 178.987 176.870 -0.009 0.000 1.133 307 L CA 0.302 55.128 54.840 -0.023 0.000 0.816 307 L CB -0.248 41.757 42.059 -0.090 0.000 0.933 307 L HN 0.180 nan 8.230 nan 0.000 0.449 308 L N -0.363 120.843 121.223 -0.027 0.000 2.353 308 L HA -0.144 4.195 4.340 -0.002 0.000 0.220 308 L C 1.983 178.858 176.870 0.008 0.000 1.133 308 L CA 1.154 55.983 54.840 -0.019 0.000 0.798 308 L CB -0.499 41.545 42.059 -0.026 0.000 0.922 308 L HN 0.375 nan 8.230 nan 0.000 0.445 309 S N -3.196 112.515 115.700 0.018 0.000 2.575 309 S HA 0.072 4.541 4.470 -0.002 0.000 0.237 309 S C 0.619 175.238 174.600 0.032 0.000 0.975 309 S CA -0.613 57.597 58.200 0.017 0.000 0.960 309 S CB -0.396 62.802 63.200 -0.003 0.000 0.822 309 S HN 0.310 nan 8.310 nan 0.000 0.472 310 H N 3.193 122.243 119.070 -0.034 0.000 2.852 310 H HA 0.053 4.608 4.556 -0.001 0.000 0.362 310 H C 1.476 176.794 175.328 -0.017 0.000 1.122 310 H CA 1.149 57.180 56.048 -0.029 0.000 1.419 310 H CB 0.915 30.654 29.762 -0.040 0.000 1.401 310 H HN 0.479 nan 8.280 nan 0.000 0.609 311 E N 2.016 122.170 120.200 -0.078 0.000 2.150 311 E HA -0.121 4.228 4.350 -0.002 0.000 0.193 311 E C 0.457 177.158 176.600 0.169 0.000 0.985 311 E CA 0.348 56.766 56.400 0.029 0.000 0.814 311 E CB -0.045 29.617 29.700 -0.064 0.000 0.752 311 E HN 0.199 nan 8.360 nan 0.000 0.466 312 S N 1.322 117.254 115.700 0.387 0.000 2.452 312 S HA 0.142 4.611 4.470 -0.002 0.000 0.284 312 S C 1.096 175.749 174.600 0.088 0.000 1.171 312 S CA 0.073 58.386 58.200 0.188 0.000 1.064 312 S CB 1.101 64.380 63.200 0.131 0.000 0.967 312 S HN 0.355 nan 8.310 nan 0.000 0.484 313 T N 3.880 118.471 114.554 0.062 0.000 2.929 313 T HA -0.071 4.278 4.350 -0.002 0.000 0.271 313 T C 1.703 176.415 174.700 0.020 0.000 1.085 313 T CA 0.868 62.990 62.100 0.037 0.000 1.125 313 T CB -0.424 68.471 68.868 0.046 0.000 0.874 313 T HN 0.634 nan 8.240 nan 0.000 0.494 314 L N 0.333 121.574 121.223 0.030 0.000 2.265 314 L HA -0.012 4.327 4.340 -0.002 0.000 0.215 314 L C 2.568 179.404 176.870 -0.058 0.000 1.117 314 L CA 0.622 55.489 54.840 0.045 0.000 0.782 314 L CB -0.421 41.679 42.059 0.069 0.000 0.914 314 L HN 0.248 nan 8.230 nan 0.000 0.441 315 V N -1.322 118.503 119.914 -0.148 0.000 2.672 315 V HA -0.116 4.003 4.120 -0.002 0.000 0.242 315 V C 2.234 178.203 176.094 -0.208 0.000 1.059 315 V CA 0.796 62.942 62.300 -0.256 0.000 1.081 315 V CB -0.084 31.451 31.823 -0.480 0.000 0.752 315 V HN 0.347 nan 8.190 nan 0.000 0.472 316 Q N 0.043 119.773 119.800 -0.116 0.000 2.045 316 Q HA -0.228 4.111 4.340 -0.002 0.000 0.206 316 Q C 2.373 178.294 176.000 -0.132 0.000 0.991 316 Q CA 2.469 58.222 55.803 -0.084 0.000 0.851 316 Q CB -0.496 28.229 28.738 -0.022 0.000 0.911 316 Q HN 0.549 nan 8.270 nan 0.000 0.418 317 T N 1.317 115.792 114.554 -0.131 0.000 2.607 317 T HA -0.138 4.211 4.350 -0.002 0.000 0.267 317 T C -1.094 173.403 174.700 -0.339 0.000 1.049 317 T CA 1.843 63.852 62.100 -0.153 0.000 1.162 317 T CB -1.001 67.837 68.868 -0.050 0.000 0.863 317 T HN 0.299 nan 8.240 nan 0.000 0.424 318 P HA 0.114 nan 4.420 nan 0.000 0.220 318 P C 1.345 178.342 177.300 -0.505 0.000 1.152 318 P CA 1.150 63.675 63.100 -0.958 0.000 0.812 318 P CB -0.185 30.486 31.700 -1.715 0.000 0.792 319 A N 0.485 123.082 122.820 -0.372 0.000 1.877 319 A HA -0.177 4.142 4.320 -0.002 0.000 0.216 319 A C 2.218 179.711 177.584 -0.150 0.000 1.186 319 A CA 1.650 53.549 52.037 -0.229 0.000 0.620 319 A CB -1.722 17.167 19.000 -0.185 0.000 0.822 319 A HN 0.166 nan 8.150 nan 0.000 0.443 320 L N -0.397 120.753 121.223 -0.123 0.000 2.079 320 L HA -0.139 4.200 4.340 -0.002 0.000 0.210 320 L C 2.353 179.221 176.870 -0.003 0.000 1.081 320 L CA 2.463 57.274 54.840 -0.048 0.000 0.752 320 L CB -0.680 41.370 42.059 -0.015 0.000 0.896 320 L HN 0.393 nan 8.230 nan 0.000 0.433 321 R N 0.067 120.544 120.500 -0.039 0.000 2.066 321 R HA -0.006 4.333 4.340 -0.002 0.000 0.232 321 R C 2.204 178.537 176.300 0.055 0.000 1.131 321 R CA 1.680 57.815 56.100 0.057 0.000 0.955 321 R CB -1.037 29.245 30.300 -0.029 0.000 0.851 321 R HN 0.454 nan 8.270 nan 0.000 0.432 322 A N -0.185 122.606 122.820 -0.049 0.000 1.883 322 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 322 A C 2.363 179.935 177.584 -0.021 0.000 1.186 322 A CA 1.965 53.981 52.037 -0.034 0.000 0.624 322 A CB -0.912 18.037 19.000 -0.085 0.000 0.822 322 A HN 0.192 nan 8.150 nan 0.000 0.444 323 V N -0.162 119.726 119.914 -0.043 0.000 2.343 323 V HA -0.192 3.927 4.120 -0.002 0.000 0.247 323 V C 2.787 178.830 176.094 -0.086 0.000 1.051 323 V CA 2.004 64.269 62.300 -0.059 0.000 1.036 323 V CB -1.361 30.424 31.823 -0.064 0.000 0.654 323 V HN 0.641 nan 8.190 nan 0.000 0.451 324 G N -0.220 108.538 108.800 -0.070 0.000 2.432 324 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.219 324 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.219 324 G C 1.439 176.203 174.900 -0.228 0.000 1.135 324 G CA 0.833 45.777 45.100 -0.259 0.000 0.767 324 G HN 0.518 nan 8.290 nan 0.000 0.550 325 N N 0.600 119.313 118.700 0.022 0.000 2.173 325 N HA 0.019 4.758 4.740 -0.002 0.000 0.184 325 N C 2.234 177.732 175.510 -0.019 0.000 1.025 325 N CA 0.465 53.560 53.050 0.075 0.000 0.852 325 N CB -0.288 38.270 38.487 0.117 0.000 0.998 325 N HN 0.304 nan 8.380 nan 0.000 0.427 326 I N 1.043 121.592 120.570 -0.035 0.000 2.248 326 I HA -0.230 3.939 4.170 -0.002 0.000 0.248 326 I C 1.816 177.883 176.117 -0.084 0.000 1.107 326 I CA 1.063 62.333 61.300 -0.049 0.000 1.373 326 I CB -0.235 37.738 38.000 -0.045 0.000 1.055 326 I HN 0.024 nan 8.210 nan 0.000 0.418 327 V N -2.255 117.577 119.914 -0.136 0.000 3.573 327 V HA -0.035 4.084 4.120 -0.002 0.000 0.270 327 V C 2.134 178.119 176.094 -0.183 0.000 1.221 327 V CA 1.208 63.409 62.300 -0.166 0.000 1.163 327 V CB -1.468 30.228 31.823 -0.211 0.000 0.847 327 V HN 0.514 nan 8.190 nan 0.000 0.468 328 T N -1.537 112.923 114.554 -0.158 0.000 2.995 328 T HA 0.156 4.505 4.350 -0.002 0.000 0.269 328 T C 1.354 176.008 174.700 -0.076 0.000 1.091 328 T CA 0.707 62.741 62.100 -0.110 0.000 1.128 328 T CB -0.690 68.155 68.868 -0.039 0.000 0.891 328 T HN 0.777 nan 8.240 nan 0.000 0.492 329 G N 2.660 111.418 108.800 -0.070 0.000 2.593 329 G HA2 0.298 4.257 3.960 -0.002 0.000 0.279 329 G HA3 0.298 4.257 3.960 -0.002 0.000 0.279 329 G C 0.132 174.998 174.900 -0.056 0.000 1.329 329 G CA -0.406 44.659 45.100 -0.058 0.000 1.036 329 G HN 0.743 nan 8.290 nan 0.000 0.555 330 N N -1.095 117.578 118.700 -0.045 0.000 2.381 330 N HA 0.109 4.848 4.740 -0.002 0.000 0.254 330 N C 0.518 176.005 175.510 -0.039 0.000 1.264 330 N CA -0.046 52.981 53.050 -0.038 0.000 0.942 330 N CB 0.519 38.988 38.487 -0.031 0.000 1.190 330 N HN 0.312 nan 8.380 nan 0.000 0.495 331 D N -0.443 119.937 120.400 -0.033 0.000 2.149 331 D HA -0.156 4.484 4.640 -0.002 0.000 0.194 331 D C 1.755 178.037 176.300 -0.030 0.000 1.001 331 D CA 0.969 54.950 54.000 -0.032 0.000 0.849 331 D CB -0.455 40.331 40.800 -0.025 0.000 0.939 331 D HN 0.271 nan 8.370 nan 0.000 0.449 332 L N -0.024 121.184 121.223 -0.026 0.000 2.083 332 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 332 L C 2.573 179.428 176.870 -0.025 0.000 1.083 332 L CA 1.573 56.400 54.840 -0.023 0.000 0.752 332 L CB -1.017 41.032 42.059 -0.018 0.000 0.899 332 L HN 0.283 nan 8.230 nan 0.000 0.433 333 Q N -1.585 118.197 119.800 -0.030 0.000 2.083 333 Q HA -0.161 4.178 4.340 -0.002 0.000 0.198 333 Q C 2.282 178.258 176.000 -0.041 0.000 0.969 333 Q CA 1.846 57.630 55.803 -0.033 0.000 0.838 333 Q CB -0.327 28.389 28.738 -0.037 0.000 0.900 333 Q HN 0.584 nan 8.270 nan 0.000 0.436 334 T N 0.843 115.367 114.554 -0.050 0.000 2.759 334 T HA -0.214 4.136 4.350 -0.002 0.000 0.269 334 T C 1.741 176.411 174.700 -0.050 0.000 1.042 334 T CA 1.545 63.608 62.100 -0.061 0.000 1.140 334 T CB -0.162 68.665 68.868 -0.068 0.000 0.864 334 T HN 0.153 nan 8.240 nan 0.000 0.455 335 Q N 0.745 120.521 119.800 -0.040 0.000 2.167 335 Q HA -0.021 4.318 4.340 -0.002 0.000 0.202 335 Q C 2.154 178.136 176.000 -0.029 0.000 0.970 335 Q CA 1.037 56.821 55.803 -0.033 0.000 0.855 335 Q CB -0.644 28.078 28.738 -0.026 0.000 0.911 335 Q HN 0.360 nan 8.270 nan 0.000 0.438 336 V N -0.711 119.187 119.914 -0.027 0.000 2.490 336 V HA -0.211 3.908 4.120 -0.002 0.000 0.250 336 V C 2.086 178.165 176.094 -0.026 0.000 1.061 336 V CA 1.509 63.795 62.300 -0.022 0.000 1.064 336 V CB -0.359 31.453 31.823 -0.018 0.000 0.670 336 V HN 0.225 nan 8.190 nan 0.000 0.461 337 V N -0.516 119.377 119.914 -0.035 0.000 2.407 337 V HA -0.133 3.986 4.120 -0.002 0.000 0.245 337 V C 2.102 178.173 176.094 -0.039 0.000 1.041 337 V CA 1.658 63.934 62.300 -0.040 0.000 1.040 337 V CB -0.170 31.620 31.823 -0.055 0.000 0.671 337 V HN 0.423 nan 8.190 nan 0.000 0.455 338 I N 0.582 121.128 120.570 -0.040 0.000 2.226 338 I HA -0.239 3.930 4.170 -0.002 0.000 0.245 338 I C 2.266 178.367 176.117 -0.028 0.000 1.100 338 I CA 1.503 62.781 61.300 -0.036 0.000 1.374 338 I CB -0.558 37.419 38.000 -0.037 0.000 1.057 338 I HN 0.351 nan 8.210 nan 0.000 0.413 339 N N 1.190 119.876 118.700 -0.025 0.000 2.223 339 N HA -0.115 4.624 4.740 -0.002 0.000 0.185 339 N C 1.655 177.155 175.510 -0.015 0.000 1.016 339 N CA 1.441 54.480 53.050 -0.018 0.000 0.863 339 N CB -0.283 38.195 38.487 -0.016 0.000 0.983 339 N HN 0.352 nan 8.380 nan 0.000 0.429 340 A N -0.619 122.191 122.820 -0.018 0.000 2.238 340 A HA 0.401 4.720 4.320 -0.002 0.000 0.208 340 A C 1.388 178.962 177.584 -0.017 0.000 1.177 340 A CA 0.878 52.906 52.037 -0.015 0.000 0.804 340 A CB -0.269 18.721 19.000 -0.017 0.000 0.823 340 A HN 0.320 nan 8.150 nan 0.000 0.482 341 G N -2.029 106.759 108.800 -0.020 0.000 2.138 341 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.193 341 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.193 341 G C 0.869 175.756 174.900 -0.023 0.000 0.998 341 G CA 0.443 45.531 45.100 -0.019 0.000 0.668 341 G HN 0.769 nan 8.290 nan 0.000 0.516 342 V N 0.508 120.404 119.914 -0.029 0.000 2.490 342 V HA -0.079 4.040 4.120 -0.002 0.000 0.250 342 V C 2.754 178.830 176.094 -0.030 0.000 1.061 342 V CA 2.697 64.977 62.300 -0.033 0.000 1.064 342 V CB -0.247 31.549 31.823 -0.045 0.000 0.670 342 V HN 0.547 nan 8.190 nan 0.000 0.461 343 L N 0.077 121.283 121.223 -0.028 0.000 2.017 343 L HA -0.090 4.249 4.340 -0.002 0.000 0.208 343 L C 0.084 176.945 176.870 -0.016 0.000 1.073 343 L CA 1.722 56.547 54.840 -0.024 0.000 0.745 343 L CB -1.924 40.120 42.059 -0.026 0.000 0.894 343 L HN 0.335 nan 8.230 nan 0.000 0.432 344 P HA -0.149 nan 4.420 nan 0.000 0.217 344 P C 1.453 178.749 177.300 -0.007 0.000 1.150 344 P CA 1.675 64.770 63.100 -0.009 0.000 0.832 344 P CB -0.016 31.679 31.700 -0.009 0.000 0.787 345 A N -0.413 122.400 122.820 -0.011 0.000 1.933 345 A HA -0.158 4.162 4.320 -0.002 0.000 0.218 345 A C 2.199 179.779 177.584 -0.006 0.000 1.175 345 A CA 1.373 53.404 52.037 -0.010 0.000 0.628 345 A CB -1.677 17.314 19.000 -0.016 0.000 0.814 345 A HN 0.125 nan 8.150 nan 0.000 0.444 346 L N -1.222 119.996 121.223 -0.009 0.000 2.131 346 L HA -0.151 4.188 4.340 -0.002 0.000 0.210 346 L C 2.794 179.668 176.870 0.006 0.000 1.092 346 L CA 0.896 55.735 54.840 -0.003 0.000 0.759 346 L CB -0.436 41.617 42.059 -0.010 0.000 0.903 346 L HN 0.275 nan 8.230 nan 0.000 0.435 347 R N 0.572 121.074 120.500 0.005 0.000 2.073 347 R HA -0.146 4.193 4.340 -0.002 0.000 0.234 347 R C 2.139 178.446 176.300 0.012 0.000 1.134 347 R CA 1.488 57.594 56.100 0.010 0.000 0.952 347 R CB -0.951 29.354 30.300 0.008 0.000 0.850 347 R HN 0.310 nan 8.270 nan 0.000 0.433 348 L N 0.465 121.693 121.223 0.008 0.000 2.046 348 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 348 L C 1.962 178.840 176.870 0.013 0.000 1.077 348 L CA 1.576 56.421 54.840 0.009 0.000 0.747 348 L CB -0.327 41.735 42.059 0.005 0.000 0.896 348 L HN 0.218 nan 8.230 nan 0.000 0.432 349 L N -0.640 120.591 121.223 0.014 0.000 2.313 349 L HA -0.153 4.186 4.340 -0.002 0.000 0.214 349 L C 2.375 179.261 176.870 0.027 0.000 1.119 349 L CA 0.333 55.185 54.840 0.020 0.000 0.809 349 L CB -0.216 41.855 42.059 0.019 0.000 0.933 349 L HN 0.252 nan 8.230 nan 0.000 0.449 350 L N -0.408 120.831 121.223 0.026 0.000 2.549 350 L HA -0.075 4.264 4.340 -0.002 0.000 0.229 350 L C 1.334 178.221 176.870 0.028 0.000 1.158 350 L CA 0.594 55.453 54.840 0.031 0.000 0.842 350 L CB -0.267 41.811 42.059 0.032 0.000 0.952 350 L HN 0.324 nan 8.230 nan 0.000 0.452 351 S N -2.741 112.973 115.700 0.023 0.000 2.651 351 S HA 0.101 4.570 4.470 -0.002 0.000 0.246 351 S C 0.521 175.134 174.600 0.021 0.000 1.039 351 S CA -0.494 57.719 58.200 0.021 0.000 1.013 351 S CB 0.328 63.538 63.200 0.017 0.000 0.861 351 S HN 0.214 nan 8.310 nan 0.000 0.485 352 S N 3.014 118.728 115.700 0.024 0.000 2.563 352 S HA 0.196 4.666 4.470 -0.002 0.000 0.284 352 S C -1.242 173.374 174.600 0.026 0.000 1.331 352 S CA -0.866 57.349 58.200 0.026 0.000 1.047 352 S CB 0.566 63.783 63.200 0.029 0.000 0.859 352 S HN 0.154 nan 8.310 nan 0.000 0.514 353 P HA -0.014 nan 4.420 nan 0.000 0.218 353 P C -0.307 177.010 177.300 0.028 0.000 1.149 353 P CA 1.030 64.145 63.100 0.025 0.000 0.817 353 P CB 0.053 31.767 31.700 0.024 0.000 0.785 354 K N 0.781 121.200 120.400 0.031 0.000 2.339 354 K HA 0.021 4.340 4.320 -0.002 0.000 0.286 354 K C 1.152 177.772 176.600 0.035 0.000 1.050 354 K CA 0.020 56.328 56.287 0.034 0.000 0.956 354 K CB 0.977 33.500 32.500 0.039 0.000 0.990 354 K HN -0.063 nan 8.250 nan 0.000 0.475 355 E N 2.652 122.872 120.200 0.034 0.000 2.110 355 E HA -0.187 4.163 4.350 -0.002 0.000 0.193 355 E C 0.935 177.558 176.600 0.039 0.000 0.988 355 E CA 1.553 57.974 56.400 0.035 0.000 0.804 355 E CB 0.137 29.855 29.700 0.031 0.000 0.745 355 E HN 0.446 nan 8.360 nan 0.000 0.458 356 N N -0.035 118.689 118.700 0.039 0.000 2.270 356 N HA -0.072 4.667 4.740 -0.002 0.000 0.181 356 N C 1.530 177.068 175.510 0.047 0.000 1.016 356 N CA 0.748 53.821 53.050 0.040 0.000 0.870 356 N CB -0.072 38.438 38.487 0.039 0.000 0.979 356 N HN 0.240 nan 8.380 nan 0.000 0.431 357 I N 1.370 121.968 120.570 0.046 0.000 2.226 357 I HA -0.211 3.958 4.170 -0.002 0.000 0.245 357 I C 1.886 178.036 176.117 0.056 0.000 1.100 357 I CA 1.115 62.443 61.300 0.047 0.000 1.374 357 I CB -0.640 37.383 38.000 0.038 0.000 1.057 357 I HN 0.168 nan 8.210 nan 0.000 0.413 358 K N 0.859 121.291 120.400 0.052 0.000 2.057 358 K HA -0.220 4.099 4.320 -0.002 0.000 0.207 358 K C 2.140 178.786 176.600 0.077 0.000 1.049 358 K CA 1.266 57.588 56.287 0.058 0.000 0.931 358 K CB -0.192 32.337 32.500 0.049 0.000 0.714 358 K HN 0.249 nan 8.250 nan 0.000 0.440 359 K N 1.323 121.768 120.400 0.075 0.000 2.057 359 K HA -0.168 4.151 4.320 -0.002 0.000 0.207 359 K C 1.800 178.481 176.600 0.136 0.000 1.049 359 K CA 1.351 57.692 56.287 0.091 0.000 0.931 359 K CB 0.171 32.706 32.500 0.058 0.000 0.714 359 K HN 0.058 nan 8.250 nan 0.000 0.440 360 E N -0.025 120.254 120.200 0.132 0.000 2.208 360 E HA -0.106 4.243 4.350 -0.002 0.000 0.193 360 E C 1.844 178.600 176.600 0.260 0.000 0.988 360 E CA 0.874 57.410 56.400 0.226 0.000 0.828 360 E CB 0.077 29.875 29.700 0.163 0.000 0.763 360 E HN 0.433 nan 8.360 nan 0.000 0.478 361 A N 0.688 123.598 122.820 0.149 0.000 1.929 361 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 361 A C 2.550 180.193 177.584 0.098 0.000 1.176 361 A CA 0.906 53.002 52.037 0.098 0.000 0.628 361 A CB -0.715 18.322 19.000 0.063 0.000 0.816 361 A HN 0.290 nan 8.150 nan 0.000 0.444 362 C N -2.487 116.891 119.300 0.130 0.000 2.436 362 C HA -0.144 4.315 4.460 -0.002 0.000 0.277 362 C C 2.323 177.415 174.990 0.169 0.000 1.241 362 C CA 0.755 59.854 59.018 0.134 0.000 1.721 362 C CB -1.573 26.255 27.740 0.147 0.000 2.043 362 C HN 0.874 nan 8.230 nan 0.000 0.472 363 W N 1.816 123.128 121.300 0.019 0.000 2.302 363 W HA -0.241 4.419 4.660 -0.001 0.000 0.320 363 W C 2.356 178.862 176.519 -0.023 0.000 1.241 363 W CA 2.670 60.007 57.345 -0.015 0.000 1.264 363 W CB -0.954 28.485 29.460 -0.034 0.000 1.154 363 W HN 0.237 nan 8.180 nan 0.000 0.483 364 T N 1.261 115.713 114.554 -0.169 0.000 2.708 364 T HA -0.227 4.122 4.350 -0.002 0.000 0.266 364 T C 1.850 176.383 174.700 -0.278 0.000 1.037 364 T CA 2.275 64.124 62.100 -0.418 0.000 1.146 364 T CB -0.507 68.251 68.868 -0.183 0.000 0.865 364 T HN 0.182 nan 8.240 nan 0.000 0.435 365 I N 1.846 122.344 120.570 -0.121 0.000 2.361 365 I HA -0.192 3.977 4.170 -0.002 0.000 0.251 365 I C 2.747 178.820 176.117 -0.075 0.000 1.133 365 I CA 1.296 62.550 61.300 -0.076 0.000 1.413 365 I CB -0.403 37.590 38.000 -0.012 0.000 1.073 365 I HN 0.316 nan 8.210 nan 0.000 0.424 366 S N 0.753 116.412 115.700 -0.067 0.000 2.383 366 S HA -0.145 4.324 4.470 -0.002 0.000 0.227 366 S C 1.773 176.321 174.600 -0.088 0.000 1.026 366 S CA 1.126 59.321 58.200 -0.008 0.000 0.981 366 S CB -0.455 62.798 63.200 0.088 0.000 0.818 366 S HN 0.402 nan 8.310 nan 0.000 0.472 367 N N 1.173 119.724 118.700 -0.247 0.000 2.550 367 N HA 0.237 4.976 4.740 -0.002 0.000 0.186 367 N C 1.310 176.715 175.510 -0.174 0.000 1.110 367 N CA 0.625 53.521 53.050 -0.257 0.000 0.912 367 N CB -0.248 37.977 38.487 -0.436 0.000 0.968 367 N HN 0.566 nan 8.380 nan 0.000 0.448 368 I N -0.225 120.262 120.570 -0.138 0.000 2.927 368 I HA -0.095 4.074 4.170 -0.002 0.000 0.268 368 I C 1.951 178.037 176.117 -0.053 0.000 1.153 368 I CA 0.759 62.002 61.300 -0.094 0.000 1.459 368 I CB -0.171 37.774 38.000 -0.091 0.000 1.149 368 I HN 0.070 nan 8.210 nan 0.000 0.443 369 T N -0.734 113.802 114.554 -0.032 0.000 3.051 369 T HA 0.045 4.394 4.350 -0.002 0.000 0.269 369 T C 1.691 176.400 174.700 0.014 0.000 1.127 369 T CA 0.816 62.916 62.100 0.000 0.000 1.107 369 T CB -0.161 68.724 68.868 0.027 0.000 0.898 369 T HN 0.277 nan 8.240 nan 0.000 0.517 370 A N 1.026 123.846 122.820 0.001 0.000 2.169 370 A HA 0.564 4.883 4.320 -0.002 0.000 0.212 370 A C 1.573 179.153 177.584 -0.006 0.000 1.153 370 A CA 0.368 52.412 52.037 0.011 0.000 0.756 370 A CB -0.844 18.150 19.000 -0.010 0.000 0.813 370 A HN 0.641 nan 8.150 nan 0.000 0.471 371 G N 0.313 109.100 108.800 -0.022 0.000 2.494 371 G HA2 0.355 4.314 3.960 -0.002 0.000 0.270 371 G HA3 0.355 4.314 3.960 -0.002 0.000 0.270 371 G C 0.161 175.052 174.900 -0.015 0.000 1.423 371 G CA -0.063 45.022 45.100 -0.026 0.000 1.055 371 G HN 0.614 nan 8.290 nan 0.000 0.536 372 N N -1.933 116.757 118.700 -0.018 0.000 2.322 372 N HA 0.160 4.899 4.740 -0.002 0.000 0.270 372 N C 1.053 176.555 175.510 -0.013 0.000 1.286 372 N CA 0.319 53.361 53.050 -0.013 0.000 0.948 372 N CB -0.249 38.229 38.487 -0.014 0.000 1.164 372 N HN 0.219 nan 8.380 nan 0.000 0.551 373 T N -0.426 114.122 114.554 -0.011 0.000 2.867 373 T HA -0.092 4.257 4.350 -0.002 0.000 0.268 373 T C 1.042 175.730 174.700 -0.020 0.000 1.057 373 T CA 1.435 63.527 62.100 -0.013 0.000 1.136 373 T CB -0.378 68.485 68.868 -0.010 0.000 0.874 373 T HN 0.556 nan 8.240 nan 0.000 0.466 374 E N 1.369 121.556 120.200 -0.021 0.000 2.072 374 E HA -0.122 4.228 4.350 -0.002 0.000 0.191 374 E C 2.405 178.987 176.600 -0.030 0.000 0.985 374 E CA 0.987 57.372 56.400 -0.025 0.000 0.801 374 E CB -0.165 29.521 29.700 -0.023 0.000 0.750 374 E HN 0.531 nan 8.360 nan 0.000 0.452 375 Q N 0.179 119.962 119.800 -0.029 0.000 2.172 375 Q HA -0.045 4.294 4.340 -0.002 0.000 0.200 375 Q C 2.192 178.172 176.000 -0.033 0.000 0.964 375 Q CA 0.848 56.631 55.803 -0.033 0.000 0.855 375 Q CB -0.019 28.698 28.738 -0.034 0.000 0.918 375 Q HN 0.339 nan 8.270 nan 0.000 0.444 376 I N 0.418 120.972 120.570 -0.028 0.000 2.286 376 I HA -0.281 3.888 4.170 -0.002 0.000 0.248 376 I C 2.432 178.522 176.117 -0.044 0.000 1.115 376 I CA 1.014 62.298 61.300 -0.026 0.000 1.392 376 I CB -0.119 37.872 38.000 -0.014 0.000 1.065 376 I HN 0.226 nan 8.210 nan 0.000 0.418 377 Q N 1.289 121.059 119.800 -0.050 0.000 2.119 377 Q HA -0.108 4.231 4.340 -0.002 0.000 0.201 377 Q C 2.180 178.135 176.000 -0.075 0.000 0.972 377 Q CA 1.937 57.697 55.803 -0.073 0.000 0.847 377 Q CB -0.239 28.462 28.738 -0.062 0.000 0.903 377 Q HN 0.473 nan 8.270 nan 0.000 0.433 378 A N -0.577 122.210 122.820 -0.055 0.000 1.940 378 A HA -0.144 4.175 4.320 -0.002 0.000 0.219 378 A C 2.271 179.825 177.584 -0.051 0.000 1.176 378 A CA 1.623 53.631 52.037 -0.050 0.000 0.631 378 A CB -0.904 18.072 19.000 -0.040 0.000 0.814 378 A HN 0.275 nan 8.150 nan 0.000 0.446 379 V N 0.161 120.047 119.914 -0.047 0.000 2.261 379 V HA -0.285 3.834 4.120 -0.002 0.000 0.246 379 V C 2.443 178.509 176.094 -0.046 0.000 1.047 379 V CA 2.168 64.446 62.300 -0.036 0.000 1.015 379 V CB -0.591 31.219 31.823 -0.022 0.000 0.642 379 V HN 0.596 nan 8.190 nan 0.000 0.446 380 I N 0.139 120.656 120.570 -0.088 0.000 2.127 380 I HA -0.265 3.904 4.170 -0.002 0.000 0.241 380 I C 2.256 178.271 176.117 -0.169 0.000 1.075 380 I CA 1.825 63.018 61.300 -0.179 0.000 1.334 380 I CB -0.585 37.220 38.000 -0.324 0.000 1.040 380 I HN 0.337 nan 8.210 nan 0.000 0.405 381 D N 1.182 121.502 120.400 -0.134 0.000 2.221 381 D HA -0.146 4.493 4.640 -0.002 0.000 0.204 381 D C 1.897 178.166 176.300 -0.050 0.000 0.982 381 D CA 1.384 55.329 54.000 -0.092 0.000 0.857 381 D CB -0.197 40.560 40.800 -0.072 0.000 0.934 381 D HN 0.372 nan 8.370 nan 0.000 0.475 382 A N 0.490 123.287 122.820 -0.039 0.000 2.276 382 A HA -0.032 4.287 4.320 -0.002 0.000 0.212 382 A C 0.373 177.957 177.584 -0.000 0.000 1.230 382 A CA -0.084 51.942 52.037 -0.018 0.000 0.844 382 A CB -0.404 18.585 19.000 -0.017 0.000 0.860 382 A HN 0.117 nan 8.150 nan 0.000 0.486 383 N N -1.189 117.515 118.700 0.007 0.000 2.721 383 N HA -0.184 4.555 4.740 -0.002 0.000 0.249 383 N C 0.553 176.097 175.510 0.056 0.000 1.072 383 N CA 1.087 54.167 53.050 0.049 0.000 0.710 383 N CB -1.633 36.882 38.487 0.045 0.000 0.993 383 N HN 0.593 nan 8.380 nan 0.000 0.547 384 L N -0.389 120.862 121.223 0.047 0.000 2.270 384 L HA 0.038 4.378 4.340 -0.002 0.000 0.210 384 L C 2.178 179.091 176.870 0.072 0.000 1.104 384 L CA 0.240 55.108 54.840 0.047 0.000 0.804 384 L CB -0.108 41.968 42.059 0.028 0.000 0.937 384 L HN 0.168 nan 8.230 nan 0.000 0.450 385 I N 0.681 121.322 120.570 0.117 0.000 2.127 385 I HA -0.185 3.984 4.170 -0.002 0.000 0.241 385 I C -0.005 176.164 176.117 0.086 0.000 1.075 385 I CA 1.851 63.235 61.300 0.141 0.000 1.334 385 I CB -2.499 35.680 38.000 0.297 0.000 1.040 385 I HN 0.140 nan 8.210 nan 0.000 0.405 386 P HA -0.123 nan 4.420 nan 0.000 0.215 386 P C -1.173 176.139 177.300 0.021 0.000 1.157 386 P CA 2.166 65.282 63.100 0.026 0.000 0.874 386 P CB -1.365 30.351 31.700 0.026 0.000 0.790 387 P HA -0.131 nan 4.420 nan 0.000 0.217 387 P C 1.585 178.903 177.300 0.030 0.000 1.150 387 P CA 1.179 64.295 63.100 0.026 0.000 0.832 387 P CB -0.419 31.298 31.700 0.028 0.000 0.787 388 L N -0.304 120.943 121.223 0.039 0.000 2.042 388 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 388 L C 2.772 179.663 176.870 0.035 0.000 1.076 388 L CA 1.507 56.374 54.840 0.045 0.000 0.749 388 L CB -1.749 40.344 42.059 0.056 0.000 0.893 388 L HN -0.153 nan 8.230 nan 0.000 0.432 389 V N -0.757 119.171 119.914 0.022 0.000 2.358 389 V HA -0.288 3.831 4.120 -0.002 0.000 0.246 389 V C 2.585 178.680 176.094 0.000 0.000 1.047 389 V CA 1.741 64.044 62.300 0.004 0.000 1.035 389 V CB -0.430 31.382 31.823 -0.019 0.000 0.658 389 V HN 0.410 nan 8.190 nan 0.000 0.452 390 K N -0.015 120.386 120.400 0.003 0.000 2.097 390 K HA -0.100 4.219 4.320 -0.002 0.000 0.206 390 K C 1.954 178.560 176.600 0.010 0.000 1.049 390 K CA 1.424 57.713 56.287 0.002 0.000 0.933 390 K CB -0.268 32.234 32.500 0.003 0.000 0.717 390 K HN 0.394 nan 8.250 nan 0.000 0.442 391 L N 0.198 121.433 121.223 0.020 0.000 2.093 391 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 391 L C 2.215 179.101 176.870 0.027 0.000 1.085 391 L CA 0.468 55.324 54.840 0.027 0.000 0.755 391 L CB -0.446 41.636 42.059 0.039 0.000 0.904 391 L HN 0.205 nan 8.230 nan 0.000 0.435 392 L N 0.329 121.567 121.223 0.025 0.000 2.127 392 L HA -0.227 4.112 4.340 -0.002 0.000 0.211 392 L C 2.518 179.394 176.870 0.010 0.000 1.089 392 L CA 1.809 56.660 54.840 0.020 0.000 0.757 392 L CB -0.437 41.630 42.059 0.014 0.000 0.899 392 L HN 0.376 nan 8.230 nan 0.000 0.434 393 E N -1.486 118.717 120.200 0.005 0.000 2.170 393 E HA -0.068 4.281 4.350 -0.002 0.000 0.191 393 E C 1.597 178.200 176.600 0.004 0.000 0.981 393 E CA 1.359 57.759 56.400 -0.000 0.000 0.830 393 E CB -0.168 29.527 29.700 -0.008 0.000 0.775 393 E HN 0.441 nan 8.360 nan 0.000 0.470 394 V N -2.676 117.243 119.914 0.008 0.000 3.382 394 V HA 0.539 4.658 4.120 -0.002 0.000 0.296 394 V C 0.682 176.785 176.094 0.015 0.000 1.529 394 V CA -0.125 62.180 62.300 0.010 0.000 1.048 394 V CB 0.383 32.210 31.823 0.008 0.000 0.878 394 V HN 0.202 nan 8.190 nan 0.000 0.442 395 A N 0.693 123.525 122.820 0.020 0.000 2.259 395 A HA 0.586 4.905 4.320 -0.002 0.000 0.278 395 A C 0.274 177.873 177.584 0.025 0.000 1.107 395 A CA -0.405 51.648 52.037 0.025 0.000 0.828 395 A CB 0.111 19.131 19.000 0.033 0.000 1.111 395 A HN 0.589 nan 8.150 nan 0.000 0.498 396 E N -0.429 119.788 120.200 0.027 0.000 2.418 396 E HA -0.001 4.348 4.350 -0.002 0.000 0.261 396 E C -0.049 176.570 176.600 0.032 0.000 1.070 396 E CA -0.167 56.249 56.400 0.027 0.000 0.931 396 E CB 0.406 30.122 29.700 0.026 0.000 0.954 396 E HN 0.604 nan 8.360 nan 0.000 0.439 397 D N 2.109 122.527 120.400 0.029 0.000 2.126 397 D HA -0.255 4.384 4.640 -0.002 0.000 0.190 397 D C 1.863 178.190 176.300 0.045 0.000 1.001 397 D CA 1.846 55.866 54.000 0.033 0.000 0.841 397 D CB -0.058 40.758 40.800 0.028 0.000 0.949 397 D HN 0.514 nan 8.370 nan 0.000 0.446 398 K N -0.219 120.207 120.400 0.043 0.000 2.113 398 K HA -0.128 4.191 4.320 -0.002 0.000 0.208 398 K C 1.848 178.489 176.600 0.069 0.000 1.047 398 K CA 1.600 57.918 56.287 0.051 0.000 0.928 398 K CB -0.562 31.957 32.500 0.032 0.000 0.716 398 K HN 0.036 nan 8.250 nan 0.000 0.446 399 T N 1.368 115.960 114.554 0.062 0.000 2.770 399 T HA -0.021 4.328 4.350 -0.002 0.000 0.263 399 T C 1.639 176.391 174.700 0.085 0.000 1.039 399 T CA 1.192 63.336 62.100 0.073 0.000 1.142 399 T CB -0.044 68.859 68.868 0.058 0.000 0.868 399 T HN 0.312 nan 8.240 nan 0.000 0.435 400 K N 1.267 121.708 120.400 0.068 0.000 2.074 400 K HA -0.153 4.167 4.320 -0.002 0.000 0.209 400 K C 2.357 179.009 176.600 0.087 0.000 1.048 400 K CA 1.338 57.663 56.287 0.064 0.000 0.926 400 K CB -0.134 32.391 32.500 0.043 0.000 0.713 400 K HN 0.318 nan 8.250 nan 0.000 0.444 401 K N 0.760 121.226 120.400 0.110 0.000 2.026 401 K HA -0.164 4.155 4.320 -0.002 0.000 0.208 401 K C 2.134 178.907 176.600 0.287 0.000 1.048 401 K CA 1.289 57.672 56.287 0.159 0.000 0.929 401 K CB -0.068 32.541 32.500 0.182 0.000 0.713 401 K HN -0.004 nan 8.250 nan 0.000 0.439 402 E N 0.685 121.049 120.200 0.273 0.000 2.118 402 E HA -0.158 4.191 4.350 -0.002 0.000 0.195 402 E C 1.732 178.496 176.600 0.273 0.000 0.992 402 E CA 1.391 57.981 56.400 0.316 0.000 0.804 402 E CB -0.177 29.662 29.700 0.231 0.000 0.741 402 E HN 0.350 nan 8.360 nan 0.000 0.458 403 A N -0.309 122.620 122.820 0.181 0.000 1.929 403 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 403 A C 2.495 180.152 177.584 0.122 0.000 1.176 403 A CA 1.278 53.395 52.037 0.134 0.000 0.628 403 A CB -1.052 18.001 19.000 0.088 0.000 0.816 403 A HN 0.493 nan 8.150 nan 0.000 0.444 404 C N -1.578 117.782 119.300 0.100 0.000 2.429 404 C HA -0.141 4.318 4.460 -0.002 0.000 0.277 404 C C 2.366 177.367 174.990 0.018 0.000 1.262 404 C CA 1.131 60.160 59.018 0.017 0.000 1.733 404 C CB -1.689 26.022 27.740 -0.049 0.000 2.010 404 C HN 0.738 nan 8.230 nan 0.000 0.483 405 W N 0.937 122.267 121.300 0.051 0.000 2.338 405 W HA -0.072 4.587 4.660 -0.002 0.000 0.304 405 W C 2.687 179.229 176.519 0.038 0.000 1.212 405 W CA 1.728 59.104 57.345 0.052 0.000 1.264 405 W CB -0.461 29.046 29.460 0.079 0.000 1.142 405 W HN 0.417 nan 8.180 nan 0.000 0.512 406 A N -0.260 122.724 122.820 0.274 0.000 1.930 406 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 406 A C 1.837 179.489 177.584 0.114 0.000 1.175 406 A CA 1.576 53.711 52.037 0.163 0.000 0.627 406 A CB -0.762 18.311 19.000 0.122 0.000 0.815 406 A HN 0.297 nan 8.150 nan 0.000 0.443 407 I N -1.303 119.322 120.570 0.093 0.000 2.333 407 I HA -0.138 4.031 4.170 -0.002 0.000 0.246 407 I C 2.811 178.953 176.117 0.043 0.000 1.106 407 I CA 1.214 62.550 61.300 0.060 0.000 1.411 407 I CB -0.126 37.899 38.000 0.041 0.000 1.082 407 I HN 0.379 nan 8.210 nan 0.000 0.420 408 S N 1.177 116.890 115.700 0.022 0.000 2.348 408 S HA -0.207 4.262 4.470 -0.002 0.000 0.221 408 S C 1.896 176.519 174.600 0.039 0.000 1.033 408 S CA 1.896 60.092 58.200 -0.008 0.000 1.010 408 S CB -0.328 62.810 63.200 -0.104 0.000 0.891 408 S HN 0.388 nan 8.310 nan 0.000 0.442 409 N N 1.821 120.583 118.700 0.104 0.000 2.258 409 N HA -0.033 4.706 4.740 -0.002 0.000 0.187 409 N C 1.646 177.199 175.510 0.071 0.000 1.012 409 N CA 1.289 54.411 53.050 0.121 0.000 0.870 409 N CB -0.732 37.853 38.487 0.164 0.000 0.977 409 N HN 0.543 nan 8.380 nan 0.000 0.434 410 A N 0.262 123.119 122.820 0.061 0.000 1.970 410 A HA -0.049 4.270 4.320 -0.002 0.000 0.216 410 A C 2.206 179.812 177.584 0.037 0.000 1.170 410 A CA 1.434 53.497 52.037 0.044 0.000 0.645 410 A CB -0.598 18.432 19.000 0.050 0.000 0.816 410 A HN 0.408 nan 8.150 nan 0.000 0.447 411 S N -0.335 115.385 115.700 0.035 0.000 2.515 411 S HA -0.062 4.407 4.470 -0.002 0.000 0.231 411 S C 1.769 176.381 174.600 0.020 0.000 0.987 411 S CA 1.193 59.407 58.200 0.025 0.000 0.936 411 S CB -0.481 62.727 63.200 0.013 0.000 0.766 411 S HN 0.394 nan 8.310 nan 0.000 0.528 412 S N 1.918 117.634 115.700 0.027 0.000 2.359 412 S HA -0.016 4.453 4.470 -0.002 0.000 0.224 412 S C 1.944 176.557 174.600 0.021 0.000 1.035 412 S CA 1.370 59.586 58.200 0.027 0.000 1.018 412 S CB -1.019 62.202 63.200 0.035 0.000 0.876 412 S HN 0.789 nan 8.310 nan 0.000 0.448 413 G N 0.329 109.140 108.800 0.019 0.000 2.920 413 G HA2 0.208 4.167 3.960 -0.002 0.000 0.208 413 G HA3 0.208 4.167 3.960 -0.002 0.000 0.208 413 G C 1.157 176.064 174.900 0.012 0.000 1.159 413 G CA 0.496 45.604 45.100 0.013 0.000 0.784 413 G HN 0.543 nan 8.290 nan 0.000 0.535 414 G N 0.846 109.655 108.800 0.015 0.000 2.509 414 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.218 414 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.218 414 G C 1.585 176.492 174.900 0.012 0.000 1.124 414 G CA 0.338 45.447 45.100 0.015 0.000 0.776 414 G HN 0.458 nan 8.290 nan 0.000 0.547 415 L N -0.660 120.570 121.223 0.012 0.000 2.179 415 L HA 0.040 4.379 4.340 -0.002 0.000 0.208 415 L C 2.593 179.469 176.870 0.010 0.000 1.096 415 L CA 0.857 55.704 54.840 0.012 0.000 0.779 415 L CB -0.142 41.926 42.059 0.015 0.000 0.922 415 L HN 0.259 nan 8.230 nan 0.000 0.443 416 Q N -0.553 119.253 119.800 0.009 0.000 2.247 416 Q HA 0.180 4.520 4.340 -0.002 0.000 0.211 416 Q C 0.535 176.537 176.000 0.004 0.000 0.861 416 Q CA 0.006 55.812 55.803 0.006 0.000 0.949 416 Q CB 0.762 29.503 28.738 0.005 0.000 1.115 416 Q HN 0.174 nan 8.270 nan 0.000 0.507 417 R N 1.375 121.878 120.500 0.005 0.000 2.797 417 R HA 0.195 4.534 4.340 -0.002 0.000 0.274 417 R C -2.362 173.944 176.300 0.010 0.000 1.652 417 R CA -1.539 54.563 56.100 0.004 0.000 1.175 417 R CB 1.027 31.325 30.300 -0.003 0.000 1.283 417 R HN -0.118 nan 8.270 nan 0.000 0.513 418 P HA -0.115 nan 4.420 nan 0.000 0.226 418 P C 0.040 177.357 177.300 0.030 0.000 1.153 418 P CA 0.820 63.932 63.100 0.019 0.000 0.777 418 P CB 0.367 32.077 31.700 0.016 0.000 0.794 419 D N 0.105 120.520 120.400 0.026 0.000 2.178 419 D HA -0.104 4.535 4.640 -0.002 0.000 0.201 419 D C 2.073 178.410 176.300 0.061 0.000 0.980 419 D CA 0.948 54.971 54.000 0.039 0.000 0.842 419 D CB -0.178 40.633 40.800 0.017 0.000 0.948 419 D HN 0.257 nan 8.370 nan 0.000 0.472 420 I N 1.271 121.864 120.570 0.038 0.000 2.113 420 I HA -0.256 3.913 4.170 -0.002 0.000 0.238 420 I C 2.470 178.648 176.117 0.101 0.000 1.070 420 I CA 0.719 62.050 61.300 0.051 0.000 1.332 420 I CB -0.135 37.877 38.000 0.020 0.000 1.044 420 I HN -0.023 nan 8.210 nan 0.000 0.402 421 I N 0.603 121.214 120.570 0.068 0.000 2.208 421 I HA -0.280 3.889 4.170 -0.002 0.000 0.245 421 I C 2.668 178.832 176.117 0.078 0.000 1.097 421 I CA 1.645 62.982 61.300 0.063 0.000 1.363 421 I CB -1.187 36.834 38.000 0.034 0.000 1.051 421 I HN 0.294 nan 8.210 nan 0.000 0.413 422 R N -0.423 120.128 120.500 0.085 0.000 2.081 422 R HA -0.233 4.106 4.340 -0.002 0.000 0.235 422 R C 2.374 178.737 176.300 0.104 0.000 1.131 422 R CA 1.694 57.847 56.100 0.087 0.000 0.960 422 R CB -0.550 29.800 30.300 0.083 0.000 0.856 422 R HN 0.389 nan 8.270 nan 0.000 0.436 423 Y N 1.397 121.701 120.300 0.008 0.000 2.220 423 Y HA -0.118 4.431 4.550 -0.002 0.000 0.291 423 Y C 1.983 177.881 175.900 -0.004 0.000 1.129 423 Y CA 1.223 59.325 58.100 0.002 0.000 1.161 423 Y CB -0.151 38.310 38.460 0.001 0.000 0.997 423 Y HN -0.070 nan 8.280 nan 0.000 0.522 424 L N -0.908 120.399 121.223 0.141 0.000 2.012 424 L HA -0.263 4.076 4.340 -0.002 0.000 0.210 424 L C 2.362 179.189 176.870 -0.071 0.000 1.073 424 L CA 1.393 56.251 54.840 0.030 0.000 0.748 424 L CB -0.925 41.179 42.059 0.075 0.000 0.891 424 L HN 0.141 nan 8.230 nan 0.000 0.431 425 V N -0.179 119.715 119.914 -0.033 0.000 2.343 425 V HA -0.269 3.850 4.120 -0.002 0.000 0.247 425 V C 2.698 178.714 176.094 -0.130 0.000 1.051 425 V CA 2.091 64.364 62.300 -0.045 0.000 1.036 425 V CB -0.468 31.379 31.823 0.040 0.000 0.654 425 V HN 0.655 nan 8.190 nan 0.000 0.451 426 S N -0.841 114.774 115.700 -0.141 0.000 2.461 426 S HA -0.138 4.331 4.470 -0.002 0.000 0.228 426 S C 1.678 176.126 174.600 -0.254 0.000 1.005 426 S CA 0.571 58.663 58.200 -0.180 0.000 0.942 426 S CB -0.253 62.868 63.200 -0.133 0.000 0.776 426 S HN 0.563 nan 8.310 nan 0.000 0.514 427 Q N 1.015 120.614 119.800 -0.335 0.000 2.415 427 Q HA 0.227 4.567 4.340 -0.002 0.000 0.206 427 Q C 1.180 177.065 176.000 -0.192 0.000 0.946 427 Q CA 0.616 56.235 55.803 -0.307 0.000 0.951 427 Q CB -0.300 28.202 28.738 -0.392 0.000 1.026 427 Q HN 0.833 nan 8.270 nan 0.000 0.510 428 G N 1.267 109.957 108.800 -0.183 0.000 2.212 428 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.255 428 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.255 428 G C 0.741 175.574 174.900 -0.111 0.000 1.062 428 G CA 0.302 45.308 45.100 -0.157 0.000 0.815 428 G HN 0.537 nan 8.290 nan 0.000 0.497 429 C N -1.838 117.406 119.300 -0.094 0.000 2.696 429 C HA 0.579 5.038 4.460 -0.002 0.000 0.264 429 C C 2.412 177.376 174.990 -0.042 0.000 1.288 429 C CA 0.517 59.502 59.018 -0.055 0.000 1.717 429 C CB -0.858 26.860 27.740 -0.036 0.000 1.893 429 C HN 0.513 nan 8.230 nan 0.000 0.577 430 I N 1.697 122.236 120.570 -0.052 0.000 2.163 430 I HA -0.157 4.012 4.170 -0.002 0.000 0.240 430 I C 2.923 179.029 176.117 -0.017 0.000 1.081 430 I CA 1.786 63.073 61.300 -0.021 0.000 1.353 430 I CB -0.436 37.562 38.000 -0.003 0.000 1.054 430 I HN 0.292 nan 8.210 nan 0.000 0.407 431 K N 0.744 121.123 120.400 -0.035 0.000 2.063 431 K HA -0.171 4.148 4.320 -0.002 0.000 0.208 431 K C -0.674 175.915 176.600 -0.019 0.000 1.048 431 K CA 1.680 57.953 56.287 -0.024 0.000 0.928 431 K CB -0.751 31.729 32.500 -0.034 0.000 0.713 431 K HN 0.193 nan 8.250 nan 0.000 0.442 432 P HA -0.123 nan 4.420 nan 0.000 0.217 432 P C 1.137 178.428 177.300 -0.015 0.000 1.151 432 P CA 1.071 64.162 63.100 -0.016 0.000 0.828 432 P CB 0.067 31.757 31.700 -0.017 0.000 0.788 433 L N -1.198 120.014 121.223 -0.017 0.000 2.017 433 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 433 L C 2.610 179.469 176.870 -0.017 0.000 1.073 433 L CA 1.559 56.386 54.840 -0.021 0.000 0.745 433 L CB -1.254 40.792 42.059 -0.022 0.000 0.894 433 L HN 0.064 nan 8.230 nan 0.000 0.432 434 C N 0.193 119.488 119.300 -0.008 0.000 2.393 434 C HA -0.216 4.243 4.460 -0.002 0.000 0.276 434 C C 2.352 177.338 174.990 -0.006 0.000 1.215 434 C CA 0.983 59.999 59.018 -0.003 0.000 1.743 434 C CB -0.857 26.887 27.740 0.006 0.000 2.044 434 C HN 0.552 nan 8.230 nan 0.000 0.464 435 D N 0.154 120.550 120.400 -0.007 0.000 2.351 435 D HA -0.066 4.573 4.640 -0.002 0.000 0.216 435 D C 1.654 177.950 176.300 -0.006 0.000 0.968 435 D CA 0.599 54.596 54.000 -0.005 0.000 0.899 435 D CB -0.358 40.439 40.800 -0.005 0.000 0.907 435 D HN 0.365 nan 8.370 nan 0.000 0.514 436 L N 0.094 121.311 121.223 -0.011 0.000 2.418 436 L HA 0.092 4.432 4.340 -0.002 0.000 0.218 436 L C 1.881 178.741 176.870 -0.016 0.000 1.125 436 L CA 0.562 55.395 54.840 -0.013 0.000 0.835 436 L CB -0.054 41.992 42.059 -0.021 0.000 0.953 436 L HN -0.033 nan 8.230 nan 0.000 0.454 437 L N -0.735 120.479 121.223 -0.016 0.000 2.261 437 L HA -0.192 4.147 4.340 -0.002 0.000 0.216 437 L C 1.790 178.654 176.870 -0.010 0.000 1.114 437 L CA 1.174 56.005 54.840 -0.016 0.000 0.777 437 L CB -0.286 41.766 42.059 -0.011 0.000 0.910 437 L HN 0.357 nan 8.230 nan 0.000 0.440 438 E N -0.395 119.802 120.200 -0.006 0.000 2.479 438 E HA 0.026 4.375 4.350 -0.002 0.000 0.193 438 E C 0.413 177.012 176.600 -0.001 0.000 1.049 438 E CA -0.424 55.974 56.400 -0.003 0.000 0.870 438 E CB 0.410 30.110 29.700 -0.000 0.000 0.944 438 E HN 0.213 nan 8.360 nan 0.000 0.492 439 I N 1.329 121.898 120.570 -0.001 0.000 3.003 439 I HA -0.153 4.016 4.170 -0.002 0.000 0.294 439 I C 0.360 176.480 176.117 0.005 0.000 1.237 439 I CA 0.327 61.629 61.300 0.003 0.000 1.417 439 I CB 0.766 38.769 38.000 0.004 0.000 1.340 439 I HN -0.066 nan 8.210 nan 0.000 0.594 440 A N 5.827 128.653 122.820 0.009 0.000 3.157 440 A HA 0.372 4.691 4.320 -0.002 0.000 0.276 440 A C -0.458 177.136 177.584 0.016 0.000 1.524 440 A CA -0.157 51.886 52.037 0.010 0.000 1.236 440 A CB -0.780 18.225 19.000 0.009 0.000 1.173 440 A HN 0.616 nan 8.150 nan 0.000 0.595 441 D N 0.164 120.574 120.400 0.017 0.000 2.764 441 D HA 0.154 4.793 4.640 -0.002 0.000 0.227 441 D C -0.076 176.237 176.300 0.022 0.000 1.347 441 D CA -0.424 53.592 54.000 0.027 0.000 0.953 441 D CB 0.945 41.770 40.800 0.042 0.000 1.476 441 D HN 0.119 nan 8.370 nan 0.000 0.585 442 N N 2.319 121.035 118.700 0.027 0.000 2.331 442 N HA -0.088 4.651 4.740 -0.002 0.000 0.180 442 N C 1.595 177.122 175.510 0.027 0.000 1.019 442 N CA 0.493 53.557 53.050 0.023 0.000 0.881 442 N CB 0.049 38.552 38.487 0.026 0.000 0.972 442 N HN 0.370 nan 8.380 nan 0.000 0.435 443 R N 1.195 121.730 120.500 0.057 0.000 2.094 443 R HA 0.003 4.342 4.340 -0.002 0.000 0.239 443 R C 1.881 178.186 176.300 0.008 0.000 1.137 443 R CA 1.116 57.272 56.100 0.094 0.000 0.943 443 R CB -0.495 29.913 30.300 0.180 0.000 0.850 443 R HN 0.119 nan 8.270 nan 0.000 0.433 444 I N 0.148 120.709 120.570 -0.015 0.000 2.353 444 I HA -0.173 3.996 4.170 -0.002 0.000 0.248 444 I C 2.262 178.293 176.117 -0.145 0.000 1.119 444 I CA 1.084 62.304 61.300 -0.133 0.000 1.417 444 I CB -0.806 37.162 38.000 -0.052 0.000 1.078 444 I HN 0.203 nan 8.210 nan 0.000 0.421 445 I N 0.817 121.344 120.570 -0.072 0.000 2.208 445 I HA -0.327 3.842 4.170 -0.002 0.000 0.245 445 I C 2.603 178.675 176.117 -0.074 0.000 1.097 445 I CA 1.448 62.713 61.300 -0.058 0.000 1.363 445 I CB -0.235 37.751 38.000 -0.024 0.000 1.051 445 I HN 0.292 nan 8.210 nan 0.000 0.413 446 E N 0.596 120.753 120.200 -0.073 0.000 2.017 446 E HA -0.213 4.136 4.350 -0.002 0.000 0.193 446 E C 2.312 178.830 176.600 -0.136 0.000 0.997 446 E CA 1.861 58.218 56.400 -0.071 0.000 0.804 446 E CB 0.067 29.745 29.700 -0.036 0.000 0.757 446 E HN 0.236 nan 8.360 nan 0.000 0.448 447 V N 0.775 120.529 119.914 -0.266 0.000 2.324 447 V HA -0.306 3.813 4.120 -0.002 0.000 0.250 447 V C 2.385 178.318 176.094 -0.268 0.000 1.060 447 V CA 2.266 64.319 62.300 -0.411 0.000 1.042 447 V CB -0.819 30.451 31.823 -0.922 0.000 0.650 447 V HN 0.400 nan 8.190 nan 0.000 0.450 448 T N 0.044 114.470 114.554 -0.213 0.000 2.821 448 T HA -0.062 4.287 4.350 -0.002 0.000 0.267 448 T C 1.838 176.488 174.700 -0.084 0.000 1.046 448 T CA 1.311 63.331 62.100 -0.135 0.000 1.139 448 T CB -0.224 68.583 68.868 -0.102 0.000 0.871 448 T HN 0.317 nan 8.240 nan 0.000 0.454 449 L N 0.723 121.905 121.223 -0.068 0.000 2.156 449 L HA -0.063 4.276 4.340 -0.002 0.000 0.208 449 L C 2.363 179.215 176.870 -0.030 0.000 1.095 449 L CA 0.924 55.745 54.840 -0.031 0.000 0.770 449 L CB -0.456 41.595 42.059 -0.014 0.000 0.914 449 L HN 0.151 nan 8.230 nan 0.000 0.439 450 D N 0.325 120.695 120.400 -0.050 0.000 2.144 450 D HA -0.136 4.503 4.640 -0.002 0.000 0.200 450 D C 2.214 178.490 176.300 -0.040 0.000 0.978 450 D CA 1.424 55.401 54.000 -0.039 0.000 0.833 450 D CB 0.102 40.872 40.800 -0.049 0.000 0.961 450 D HN 0.293 nan 8.370 nan 0.000 0.470 451 A N 0.573 123.358 122.820 -0.058 0.000 1.898 451 A HA -0.091 4.228 4.320 -0.002 0.000 0.216 451 A C 2.379 179.940 177.584 -0.037 0.000 1.181 451 A CA 0.819 52.830 52.037 -0.044 0.000 0.620 451 A CB -0.721 18.247 19.000 -0.053 0.000 0.819 451 A HN 0.194 nan 8.150 nan 0.000 0.442 452 L N -0.799 120.403 121.223 -0.036 0.000 2.093 452 L HA -0.173 4.167 4.340 -0.002 0.000 0.208 452 L C 2.593 179.420 176.870 -0.073 0.000 1.085 452 L CA 1.710 56.531 54.840 -0.032 0.000 0.755 452 L CB -0.439 41.619 42.059 -0.003 0.000 0.904 452 L HN 0.634 nan 8.230 nan 0.000 0.435 453 E N 0.496 120.660 120.200 -0.061 0.000 2.031 453 E HA -0.235 4.114 4.350 -0.002 0.000 0.193 453 E C 1.965 178.494 176.600 -0.118 0.000 0.994 453 E CA 1.412 57.758 56.400 -0.090 0.000 0.800 453 E CB 0.078 29.778 29.700 0.000 0.000 0.752 453 E HN 0.376 nan 8.360 nan 0.000 0.447 454 N N 0.650 119.314 118.700 -0.060 0.000 2.137 454 N HA -0.177 4.562 4.740 -0.002 0.000 0.190 454 N C 1.927 177.397 175.510 -0.066 0.000 1.017 454 N CA 1.317 54.341 53.050 -0.045 0.000 0.859 454 N CB -0.260 38.216 38.487 -0.018 0.000 1.002 454 N HN 0.335 nan 8.380 nan 0.000 0.428 455 I N 0.495 121.021 120.570 -0.075 0.000 2.394 455 I HA -0.195 3.974 4.170 -0.002 0.000 0.251 455 I C 1.934 177.964 176.117 -0.144 0.000 1.136 455 I CA 0.690 61.948 61.300 -0.070 0.000 1.425 455 I CB -0.058 37.920 38.000 -0.037 0.000 1.079 455 I HN 0.065 nan 8.210 nan 0.000 0.425 456 L N 0.148 121.200 121.223 -0.285 0.000 2.095 456 L HA -0.135 4.204 4.340 -0.002 0.000 0.204 456 L C 2.485 179.074 176.870 -0.467 0.000 1.080 456 L CA 1.171 55.674 54.840 -0.562 0.000 0.759 456 L CB -0.409 40.975 42.059 -1.124 0.000 0.914 456 L HN 0.071 nan 8.230 nan 0.000 0.439 457 K N -0.486 119.739 120.400 -0.292 0.000 2.103 457 K HA -0.207 4.112 4.320 -0.002 0.000 0.207 457 K C 2.100 178.693 176.600 -0.012 0.000 1.048 457 K CA 1.365 57.631 56.287 -0.035 0.000 0.930 457 K CB -0.076 32.433 32.500 0.015 0.000 0.716 457 K HN 0.217 nan 8.250 nan 0.000 0.444 458 M N -0.239 119.336 119.600 -0.042 0.000 2.334 458 M HA -0.016 4.463 4.480 -0.002 0.000 0.266 458 M C 1.867 178.152 176.300 -0.025 0.000 1.082 458 M CA 1.198 56.487 55.300 -0.019 0.000 1.141 458 M CB -0.208 32.386 32.600 -0.011 0.000 1.380 458 M HN 0.166 nan 8.290 nan 0.000 0.440 459 G N -0.136 108.630 108.800 -0.058 0.000 2.471 459 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.219 459 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.219 459 G C 1.309 176.181 174.900 -0.047 0.000 1.125 459 G CA 1.024 46.087 45.100 -0.063 0.000 0.775 459 G HN 0.525 nan 8.290 nan 0.000 0.548 460 E N 0.737 120.929 120.200 -0.013 0.000 2.042 460 E HA 0.228 4.577 4.350 -0.002 0.000 0.189 460 E C 2.589 179.202 176.600 0.021 0.000 0.974 460 E CA 1.010 57.435 56.400 0.042 0.000 0.806 460 E CB -0.439 29.371 29.700 0.183 0.000 0.769 460 E HN 0.174 nan 8.360 nan 0.000 0.451 461 A N 0.213 123.047 122.820 0.023 0.000 2.172 461 A HA -0.133 4.186 4.320 -0.002 0.000 0.216 461 A C 1.694 179.279 177.584 0.002 0.000 1.154 461 A CA 1.648 53.693 52.037 0.012 0.000 0.701 461 A CB -0.634 18.375 19.000 0.015 0.000 0.789 461 A HN 0.364 nan 8.150 nan 0.000 0.465 462 D N 0.060 120.457 120.400 -0.004 0.000 2.120 462 D HA -0.123 4.516 4.640 -0.002 0.000 0.202 462 D C 2.125 178.417 176.300 -0.014 0.000 0.972 462 D CA 1.550 55.545 54.000 -0.008 0.000 0.837 462 D CB 0.001 40.794 40.800 -0.012 0.000 0.989 462 D HN 0.626 nan 8.370 nan 0.000 0.469 463 K N 0.065 120.453 120.400 -0.020 0.000 2.228 463 K HA 0.010 4.329 4.320 -0.002 0.000 0.202 463 K C 1.529 178.118 176.600 -0.019 0.000 1.051 463 K CA 0.823 57.095 56.287 -0.025 0.000 0.960 463 K CB 0.145 32.623 32.500 -0.037 0.000 0.743 463 K HN -0.034 nan 8.250 nan 0.000 0.458 464 E N 1.149 121.341 120.200 -0.014 0.000 2.158 464 E HA -0.020 4.329 4.350 -0.002 0.000 0.191 464 E C 2.061 178.655 176.600 -0.010 0.000 0.982 464 E CA 1.117 57.509 56.400 -0.012 0.000 0.823 464 E CB -0.029 29.665 29.700 -0.009 0.000 0.766 464 E HN 0.492 nan 8.360 nan 0.000 0.468 465 A N 1.896 124.712 122.820 -0.007 0.000 2.014 465 A HA -0.124 4.195 4.320 -0.002 0.000 0.218 465 A C 1.765 179.345 177.584 -0.006 0.000 1.163 465 A CA 1.063 53.097 52.037 -0.005 0.000 0.652 465 A CB -0.214 18.785 19.000 -0.002 0.000 0.808 465 A HN 0.196 nan 8.150 nan 0.000 0.449 466 R N -1.814 118.680 120.500 -0.009 0.000 2.776 466 R HA 0.401 4.740 4.340 -0.002 0.000 0.391 466 R C 0.635 176.928 176.300 -0.013 0.000 1.116 466 R CA 0.197 56.292 56.100 -0.009 0.000 1.056 466 R CB -0.886 29.409 30.300 -0.008 0.000 1.369 466 R HN 0.560 nan 8.270 nan 0.000 0.590 467 G N 1.556 110.348 108.800 -0.014 0.000 2.361 467 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.294 467 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.294 467 G C 0.105 174.994 174.900 -0.019 0.000 1.004 467 G CA 0.290 45.380 45.100 -0.016 0.000 0.870 467 G HN 0.326 nan 8.290 nan 0.000 0.510 468 L N -0.891 120.318 121.223 -0.023 0.000 2.468 468 L HA 0.349 4.688 4.340 -0.002 0.000 0.254 468 L C 1.320 178.170 176.870 -0.033 0.000 1.171 468 L CA 0.138 54.961 54.840 -0.029 0.000 0.809 468 L CB 0.971 43.009 42.059 -0.034 0.000 1.155 468 L HN 0.266 nan 8.230 nan 0.000 0.473 469 N N 0.083 118.761 118.700 -0.036 0.000 2.238 469 N HA 0.289 5.028 4.740 -0.002 0.000 0.222 469 N C -0.689 174.792 175.510 -0.049 0.000 1.133 469 N CA -0.064 52.963 53.050 -0.039 0.000 0.854 469 N CB 0.384 38.851 38.487 -0.033 0.000 1.041 469 N HN 0.440 nan 8.380 nan 0.000 0.510 470 I N -3.605 116.930 120.570 -0.059 0.000 2.656 470 I HA 0.427 4.596 4.170 -0.002 0.000 0.292 470 I C -1.256 174.804 176.117 -0.094 0.000 1.144 470 I CA -1.157 60.096 61.300 -0.078 0.000 1.038 470 I CB 1.762 39.711 38.000 -0.085 0.000 1.244 470 I HN -0.213 nan 8.210 nan 0.000 0.420 471 N N 4.273 122.906 118.700 -0.111 0.000 2.415 471 N HA 0.103 4.842 4.740 -0.002 0.000 0.246 471 N C 0.588 175.979 175.510 -0.199 0.000 1.078 471 N CA 0.337 53.309 53.050 -0.130 0.000 0.942 471 N CB 1.360 39.777 38.487 -0.118 0.000 1.140 471 N HN 0.846 nan 8.380 nan 0.000 0.501 472 E N 2.776 122.836 120.200 -0.233 0.000 2.077 472 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 472 E C 0.754 176.991 176.600 -0.606 0.000 0.989 472 E CA 1.133 57.278 56.400 -0.425 0.000 0.800 472 E CB 0.292 29.773 29.700 -0.366 0.000 0.746 472 E HN 0.538 nan 8.360 nan 0.000 0.452 473 N N 0.229 118.751 118.700 -0.296 0.000 2.142 473 N HA -0.116 4.623 4.740 -0.002 0.000 0.186 473 N C 1.605 177.075 175.510 -0.067 0.000 1.023 473 N CA 1.171 54.163 53.050 -0.097 0.000 0.852 473 N CB -0.429 38.043 38.487 -0.025 0.000 0.998 473 N HN 0.165 nan 8.380 nan 0.000 0.424 474 A N 1.163 123.892 122.820 -0.152 0.000 1.940 474 A HA -0.168 4.151 4.320 -0.002 0.000 0.219 474 A C 1.735 179.345 177.584 0.043 0.000 1.176 474 A CA 1.719 53.673 52.037 -0.138 0.000 0.631 474 A CB -0.367 18.406 19.000 -0.379 0.000 0.814 474 A HN 0.128 nan 8.150 nan 0.000 0.446 475 D N -1.276 119.075 120.400 -0.082 0.000 2.194 475 D HA 0.002 4.641 4.640 -0.002 0.000 0.204 475 D C 1.661 177.999 176.300 0.064 0.000 0.964 475 D CA 0.642 54.621 54.000 -0.035 0.000 0.846 475 D CB -0.337 40.372 40.800 -0.152 0.000 0.962 475 D HN 0.613 nan 8.370 nan 0.000 0.490 476 F N 0.693 120.667 119.950 0.040 0.000 2.113 476 F HA -0.082 4.444 4.527 -0.002 0.000 0.297 476 F C 2.399 178.225 175.800 0.043 0.000 1.103 476 F CA 0.293 58.310 58.000 0.028 0.000 1.248 476 F CB -0.090 38.914 39.000 0.007 0.000 0.999 476 F HN -0.107 nan 8.300 nan 0.000 0.475 477 I N 0.154 120.888 120.570 0.273 0.000 2.226 477 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 477 I C 2.461 178.669 176.117 0.152 0.000 1.100 477 I CA 1.484 62.903 61.300 0.198 0.000 1.374 477 I CB -0.433 37.717 38.000 0.249 0.000 1.057 477 I HN 0.206 nan 8.210 nan 0.000 0.413 478 E N 1.276 121.594 120.200 0.198 0.000 2.077 478 E HA -0.237 4.112 4.350 -0.002 0.000 0.193 478 E C 1.984 178.628 176.600 0.074 0.000 0.989 478 E CA 1.204 57.673 56.400 0.116 0.000 0.800 478 E CB 0.116 29.924 29.700 0.181 0.000 0.746 478 E HN 0.363 nan 8.360 nan 0.000 0.452 479 K N -0.607 119.856 120.400 0.107 0.000 2.486 479 K HA 0.021 4.340 4.320 -0.002 0.000 0.194 479 K C 1.245 177.883 176.600 0.064 0.000 1.033 479 K CA 0.538 56.877 56.287 0.086 0.000 1.004 479 K CB 0.362 32.934 32.500 0.121 0.000 0.798 479 K HN 0.056 nan 8.250 nan 0.000 0.495 480 A N 0.208 123.066 122.820 0.064 0.000 2.387 480 A HA 0.277 4.596 4.320 -0.002 0.000 0.234 480 A C 1.120 178.714 177.584 0.018 0.000 1.253 480 A CA 0.461 52.520 52.037 0.035 0.000 0.894 480 A CB 0.028 19.050 19.000 0.036 0.000 0.963 480 A HN 0.308 nan 8.150 nan 0.000 0.508 481 G N -1.456 107.351 108.800 0.012 0.000 2.160 481 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.251 481 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.251 481 G C 1.030 175.921 174.900 -0.015 0.000 1.008 481 G CA 0.546 45.643 45.100 -0.005 0.000 0.724 481 G HN 1.247 nan 8.290 nan 0.000 0.514 482 G N -0.636 108.153 108.800 -0.018 0.000 2.662 482 G HA2 0.249 4.208 3.960 -0.002 0.000 0.212 482 G HA3 0.249 4.208 3.960 -0.002 0.000 0.212 482 G C 1.505 176.351 174.900 -0.090 0.000 1.141 482 G CA 1.246 46.331 45.100 -0.026 0.000 0.797 482 G HN 0.557 nan 8.290 nan 0.000 0.531 483 M N 0.438 119.921 119.600 -0.196 0.000 2.067 483 M HA -0.055 4.424 4.480 -0.002 0.000 0.260 483 M C 2.473 178.660 176.300 -0.188 0.000 1.069 483 M CA 1.428 56.473 55.300 -0.426 0.000 1.117 483 M CB -0.051 32.183 32.600 -0.610 0.000 1.334 483 M HN 0.056 nan 8.290 nan 0.000 0.407 484 E N 0.921 121.063 120.200 -0.097 0.000 2.070 484 E HA -0.235 4.114 4.350 -0.002 0.000 0.197 484 E C 1.906 178.558 176.600 0.086 0.000 1.004 484 E CA 1.472 57.887 56.400 0.026 0.000 0.805 484 E CB -0.551 29.157 29.700 0.013 0.000 0.744 484 E HN 0.592 nan 8.360 nan 0.000 0.451 485 K N 0.268 120.682 120.400 0.023 0.000 2.097 485 K HA -0.051 4.268 4.320 -0.002 0.000 0.206 485 K C 2.419 179.029 176.600 0.018 0.000 1.049 485 K CA 0.774 57.073 56.287 0.020 0.000 0.933 485 K CB -0.233 32.269 32.500 0.003 0.000 0.717 485 K HN 0.186 nan 8.250 nan 0.000 0.442 486 I N 0.453 121.028 120.570 0.008 0.000 2.286 486 I HA -0.240 3.929 4.170 -0.002 0.000 0.245 486 I C 2.314 178.462 176.117 0.052 0.000 1.104 486 I CA 0.742 62.052 61.300 0.016 0.000 1.397 486 I CB -0.254 37.745 38.000 -0.002 0.000 1.072 486 I HN -0.025 nan 8.210 nan 0.000 0.417 487 F N 2.557 122.463 119.950 -0.073 0.000 2.091 487 F HA -0.290 4.236 4.527 -0.001 0.000 0.299 487 F C 2.064 177.870 175.800 0.011 0.000 1.103 487 F CA 1.940 59.917 58.000 -0.037 0.000 1.228 487 F CB -0.652 38.309 39.000 -0.064 0.000 0.984 487 F HN 0.075 nan 8.300 nan 0.000 0.477 488 N N -0.554 118.048 118.700 -0.163 0.000 2.364 488 N HA -0.158 4.581 4.740 -0.002 0.000 0.183 488 N C 1.670 177.084 175.510 -0.160 0.000 1.022 488 N CA 1.348 54.262 53.050 -0.227 0.000 0.883 488 N CB -0.755 37.696 38.487 -0.059 0.000 0.965 488 N HN 0.323 nan 8.380 nan 0.000 0.438 489 C N 1.190 120.438 119.300 -0.087 0.000 2.466 489 C HA -0.029 4.430 4.460 -0.002 0.000 0.283 489 C C 2.127 177.126 174.990 0.014 0.000 1.472 489 C CA 0.111 59.113 59.018 -0.027 0.000 1.765 489 C CB -1.276 26.465 27.740 0.002 0.000 1.724 489 C HN 0.561 nan 8.230 nan 0.000 0.560 490 Q N 0.293 120.081 119.800 -0.020 0.000 2.311 490 Q HA -0.119 4.220 4.340 -0.002 0.000 0.203 490 Q C 1.213 177.268 176.000 0.092 0.000 0.954 490 Q CA 0.922 56.836 55.803 0.185 0.000 0.885 490 Q CB -0.334 28.545 28.738 0.236 0.000 0.963 490 Q HN 0.664 nan 8.270 nan 0.000 0.471 491 Q N 1.101 120.868 119.800 -0.054 0.000 2.322 491 Q HA 0.119 4.458 4.340 -0.002 0.000 0.203 491 Q C -0.432 175.542 176.000 -0.044 0.000 0.923 491 Q CA -0.178 55.580 55.803 -0.074 0.000 0.949 491 Q CB 0.240 28.911 28.738 -0.111 0.000 1.039 491 Q HN 0.327 nan 8.270 nan 0.000 0.496 492 N N 0.441 119.136 118.700 -0.009 0.000 2.479 492 N HA -0.014 4.725 4.740 -0.002 0.000 0.285 492 N C 0.939 176.449 175.510 -0.001 0.000 1.075 492 N CA -0.141 52.910 53.050 0.002 0.000 0.967 492 N CB 0.821 39.322 38.487 0.023 0.000 1.137 492 N HN 0.180 nan 8.380 nan 0.000 0.472 493 E N 2.174 122.368 120.200 -0.010 0.000 2.204 493 E HA -0.240 4.109 4.350 -0.002 0.000 0.195 493 E C 0.035 176.632 176.600 -0.005 0.000 0.990 493 E CA 0.657 57.046 56.400 -0.019 0.000 0.821 493 E CB 0.005 29.696 29.700 -0.016 0.000 0.750 493 E HN 0.445 nan 8.360 nan 0.000 0.477 494 N N 1.101 119.812 118.700 0.018 0.000 2.470 494 N HA -0.047 4.692 4.740 -0.002 0.000 0.268 494 N C -0.281 175.266 175.510 0.062 0.000 1.136 494 N CA 0.011 53.081 53.050 0.033 0.000 0.961 494 N CB 1.203 39.712 38.487 0.037 0.000 1.067 494 N HN 0.059 nan 8.380 nan 0.000 0.468 495 D N 2.951 123.387 120.400 0.059 0.000 2.144 495 D HA -0.102 4.537 4.640 -0.002 0.000 0.200 495 D C 1.521 177.917 176.300 0.160 0.000 0.978 495 D CA 1.101 55.166 54.000 0.108 0.000 0.833 495 D CB 0.303 41.145 40.800 0.069 0.000 0.961 495 D HN 0.551 nan 8.370 nan 0.000 0.470 496 K N 0.336 120.794 120.400 0.097 0.000 2.057 496 K HA -0.103 4.217 4.320 -0.002 0.000 0.207 496 K C 1.994 178.637 176.600 0.072 0.000 1.049 496 K CA 0.565 56.898 56.287 0.077 0.000 0.931 496 K CB -0.021 32.513 32.500 0.055 0.000 0.714 496 K HN 0.133 nan 8.250 nan 0.000 0.440 497 I N 0.554 121.170 120.570 0.077 0.000 2.179 497 I HA -0.298 3.871 4.170 -0.002 0.000 0.242 497 I C 2.426 178.595 176.117 0.086 0.000 1.088 497 I CA 1.347 62.686 61.300 0.065 0.000 1.357 497 I CB -1.430 36.604 38.000 0.056 0.000 1.051 497 I HN 0.211 nan 8.210 nan 0.000 0.409 498 Y N 2.010 122.318 120.300 0.013 0.000 2.224 498 Y HA -0.258 4.291 4.550 -0.001 0.000 0.289 498 Y C 2.614 178.555 175.900 0.070 0.000 1.146 498 Y CA 2.189 60.301 58.100 0.020 0.000 1.182 498 Y CB -0.429 38.024 38.460 -0.011 0.000 0.983 498 Y HN 0.270 nan 8.280 nan 0.000 0.524 499 E N 0.343 120.427 120.200 -0.193 0.000 2.046 499 E HA -0.195 4.154 4.350 -0.002 0.000 0.190 499 E C 2.328 178.865 176.600 -0.104 0.000 0.982 499 E CA 1.197 57.438 56.400 -0.265 0.000 0.800 499 E CB -0.219 29.475 29.700 -0.010 0.000 0.756 499 E HN 0.456 nan 8.360 nan 0.000 0.449 500 K N -0.209 120.174 120.400 -0.027 0.000 2.097 500 K HA -0.132 4.187 4.320 -0.002 0.000 0.206 500 K C 1.989 178.601 176.600 0.020 0.000 1.049 500 K CA 1.061 57.356 56.287 0.014 0.000 0.933 500 K CB -0.116 32.398 32.500 0.023 0.000 0.717 500 K HN 0.184 nan 8.250 nan 0.000 0.442 501 A N 0.183 123.000 122.820 -0.005 0.000 1.930 501 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 501 A C 1.990 179.586 177.584 0.019 0.000 1.175 501 A CA 1.197 53.245 52.037 0.018 0.000 0.627 501 A CB -0.730 18.279 19.000 0.015 0.000 0.815 501 A HN 0.540 nan 8.150 nan 0.000 0.443 502 Y N 0.689 120.857 120.300 -0.220 0.000 2.145 502 Y HA -0.207 4.342 4.550 -0.002 0.000 0.286 502 Y C 2.325 178.177 175.900 -0.080 0.000 1.145 502 Y CA 2.393 60.364 58.100 -0.217 0.000 1.148 502 Y CB -0.263 37.876 38.460 -0.535 0.000 0.981 502 Y HN 0.268 nan 8.280 nan 0.000 0.507 503 K N 0.353 120.746 120.400 -0.013 0.000 2.103 503 K HA -0.198 4.121 4.320 -0.002 0.000 0.207 503 K C 1.983 178.574 176.600 -0.016 0.000 1.048 503 K CA 1.984 58.247 56.287 -0.040 0.000 0.930 503 K CB -0.381 32.152 32.500 0.055 0.000 0.716 503 K HN 0.514 nan 8.250 nan 0.000 0.444 504 I N 0.944 121.568 120.570 0.090 0.000 2.353 504 I HA -0.238 3.932 4.170 -0.002 0.000 0.248 504 I C 1.979 178.298 176.117 0.337 0.000 1.119 504 I CA 0.560 62.023 61.300 0.271 0.000 1.417 504 I CB -0.030 38.124 38.000 0.255 0.000 1.078 504 I HN 0.179 nan 8.210 nan 0.000 0.421 505 I N 0.421 121.104 120.570 0.188 0.000 2.500 505 I HA -0.202 3.967 4.170 -0.002 0.000 0.252 505 I C 2.410 178.581 176.117 0.089 0.000 1.142 505 I CA 1.324 62.766 61.300 0.237 0.000 1.451 505 I CB -0.913 37.149 38.000 0.104 0.000 1.093 505 I HN 0.357 nan 8.210 nan 0.000 0.430 506 E N 0.985 121.105 120.200 -0.133 0.000 2.033 506 E HA -0.146 4.203 4.350 -0.002 0.000 0.189 506 E C 2.052 178.532 176.600 -0.201 0.000 0.979 506 E CA 1.621 57.892 56.400 -0.215 0.000 0.802 506 E CB 0.166 29.634 29.700 -0.387 0.000 0.763 506 E HN 0.266 nan 8.360 nan 0.000 0.449 507 T N -0.647 113.735 114.554 -0.287 0.000 2.821 507 T HA -0.109 4.240 4.350 -0.002 0.000 0.267 507 T C 0.671 174.918 174.700 -0.755 0.000 1.046 507 T CA 1.343 63.095 62.100 -0.581 0.000 1.139 507 T CB -0.148 68.205 68.868 -0.858 0.000 0.871 507 T HN 0.313 nan 8.240 nan 0.000 0.454 508 Y N -1.574 118.604 120.300 -0.204 0.000 2.527 508 Y HA 0.428 4.977 4.550 -0.002 0.000 0.247 508 Y C 0.268 175.691 175.900 -0.795 0.000 1.138 508 Y CA -0.768 57.045 58.100 -0.479 0.000 1.228 508 Y CB 0.619 38.725 38.460 -0.590 0.000 1.252 508 Y HN 0.095 nan 8.280 nan 0.000 0.531 509 F N -0.009 119.960 119.950 0.031 0.000 2.749 509 F HA 0.532 5.058 4.527 -0.001 0.000 0.380 509 F C 0.914 176.685 175.800 -0.047 0.000 1.365 509 F CA -0.956 57.042 58.000 -0.002 0.000 1.186 509 F CB 0.316 39.319 39.000 0.005 0.000 1.080 509 F HN -0.068 nan 8.300 nan 0.000 0.513 510 G N 0.000 108.811 108.800 0.019 0.000 5.446 510 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 510 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 510 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925