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 1lbi_1_D DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.862 176.870 -0.013 0.000 1.165 62 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 62 L CB 0.000 42.054 42.059 -0.009 0.000 0.961 63 L N 4.384 125.599 121.223 -0.014 0.000 3.544 63 L HA -0.068 4.274 4.340 0.004 0.000 0.404 63 L C -0.124 176.732 176.870 -0.023 0.000 1.080 63 L CA 1.277 56.106 54.840 -0.018 0.000 0.763 63 L CB -0.348 41.701 42.059 -0.018 0.000 1.168 63 L HN 0.322 nan 8.230 nan 0.000 0.723 64 I N 2.780 123.335 120.570 -0.025 0.000 2.355 64 I HA 0.637 4.809 4.170 0.004 0.000 0.288 64 I C 0.646 176.739 176.117 -0.040 0.000 0.999 64 I CA -0.493 60.787 61.300 -0.033 0.000 1.163 64 I CB 1.327 39.309 38.000 -0.030 0.000 1.316 64 I HN 0.600 nan 8.210 nan 0.000 0.454 65 G N 5.833 114.603 108.800 -0.050 0.000 2.372 65 G HA2 0.523 4.485 3.960 0.004 0.000 0.283 65 G HA3 0.523 4.485 3.960 0.004 0.000 0.283 65 G C -0.588 174.268 174.900 -0.073 0.000 1.177 65 G CA -0.419 44.646 45.100 -0.059 0.000 0.842 65 G HN 0.519 nan 8.290 nan 0.000 0.503 66 V N 1.526 121.398 119.914 -0.070 0.000 2.448 66 V HA 0.655 4.778 4.120 0.004 0.000 0.295 66 V C 0.384 176.423 176.094 -0.091 0.000 1.025 66 V CA -0.860 61.393 62.300 -0.078 0.000 0.859 66 V CB 1.524 33.312 31.823 -0.059 0.000 0.988 66 V HN 1.038 nan 8.190 nan 0.000 0.431 67 A N 3.433 126.186 122.820 -0.112 0.000 2.249 67 A HA 0.767 5.090 4.320 0.004 0.000 0.314 67 A C -0.034 177.477 177.584 -0.121 0.000 1.290 67 A CA -0.259 51.696 52.037 -0.138 0.000 0.893 67 A CB 0.999 19.899 19.000 -0.167 0.000 1.165 67 A HN 0.737 nan 8.150 nan 0.000 0.530 68 T N 0.738 115.213 114.554 -0.131 0.000 2.901 68 T HA 0.517 4.869 4.350 0.004 0.000 0.293 68 T C 0.157 174.804 174.700 -0.089 0.000 1.084 68 T CA -0.024 62.029 62.100 -0.077 0.000 1.008 68 T CB 1.373 70.211 68.868 -0.049 0.000 1.170 68 T HN 1.108 nan 8.240 nan 0.000 0.509 69 S N 1.631 117.350 115.700 0.032 0.000 2.515 69 S HA 0.146 4.618 4.470 0.004 0.000 0.285 69 S C 0.897 175.504 174.600 0.012 0.000 1.265 69 S CA 0.057 58.307 58.200 0.083 0.000 1.079 69 S CB -0.050 63.223 63.200 0.122 0.000 0.877 69 S HN 0.768 nan 8.310 nan 0.000 0.493 70 S N 4.488 120.191 115.700 0.005 0.000 2.582 70 S HA 0.322 4.794 4.470 0.004 0.000 0.249 70 S C 0.329 174.939 174.600 0.016 0.000 1.072 70 S CA -0.563 57.634 58.200 -0.004 0.000 1.115 70 S CB -0.455 62.733 63.200 -0.020 0.000 0.790 70 S HN 0.722 nan 8.310 nan 0.000 0.459 71 L N 0.411 121.650 121.223 0.026 0.000 2.858 71 L HA 0.545 4.888 4.340 0.004 0.000 0.251 71 L C 1.221 178.099 176.870 0.013 0.000 1.149 71 L CA 0.396 55.255 54.840 0.031 0.000 0.955 71 L CB 0.095 42.189 42.059 0.057 0.000 1.289 71 L HN 0.458 nan 8.230 nan 0.000 0.542 72 A N 0.375 123.195 122.820 0.001 0.000 2.846 72 A HA -0.208 4.114 4.320 0.004 0.000 0.287 72 A C 0.084 177.645 177.584 -0.038 0.000 1.469 72 A CA 0.497 52.536 52.037 0.003 0.000 0.757 72 A CB -2.392 16.626 19.000 0.030 0.000 1.033 72 A HN 0.273 nan 8.150 nan 0.000 0.516 73 L N 0.220 121.377 121.223 -0.111 0.000 2.350 73 L HA 0.435 4.778 4.340 0.004 0.000 0.275 73 L C 1.882 178.604 176.870 -0.247 0.000 1.099 73 L CA -1.026 53.649 54.840 -0.275 0.000 0.808 73 L CB 0.630 42.513 42.059 -0.293 0.000 1.149 73 L HN 0.536 nan 8.230 nan 0.000 0.442 74 H N 2.349 121.360 119.070 -0.098 0.000 2.389 74 H HA -0.100 4.458 4.556 0.004 0.000 0.299 74 H C 1.933 177.117 175.328 -0.240 0.000 1.081 74 H CA 1.219 57.198 56.048 -0.116 0.000 1.345 74 H CB -0.421 29.311 29.762 -0.050 0.000 1.393 74 H HN 0.806 nan 8.280 nan 0.000 0.520 75 A N 2.450 125.103 122.820 -0.278 0.000 1.865 75 A HA -0.119 4.204 4.320 0.004 0.000 0.217 75 A C 0.093 177.267 177.584 -0.683 0.000 1.191 75 A CA 1.890 53.529 52.037 -0.663 0.000 0.623 75 A CB -1.399 17.255 19.000 -0.576 0.000 0.826 75 A HN 0.384 nan 8.150 nan 0.000 0.444 76 P HA -0.029 nan 4.420 nan 0.000 0.223 76 P C 1.385 178.572 177.300 -0.189 0.000 1.151 76 P CA 1.484 64.422 63.100 -0.271 0.000 0.787 76 P CB -0.104 31.496 31.700 -0.166 0.000 0.788 77 S N 0.423 116.030 115.700 -0.154 0.000 2.368 77 S HA -0.154 4.319 4.470 0.004 0.000 0.224 77 S C 2.085 176.633 174.600 -0.087 0.000 1.029 77 S CA 1.101 59.252 58.200 -0.081 0.000 0.988 77 S CB -0.755 62.429 63.200 -0.027 0.000 0.838 77 S HN 0.310 nan 8.310 nan 0.000 0.462 78 Q N 0.153 119.865 119.800 -0.148 0.000 2.291 78 Q HA 0.064 4.407 4.340 0.004 0.000 0.205 78 Q C 1.887 177.862 176.000 -0.042 0.000 0.970 78 Q CA 0.839 56.586 55.803 -0.092 0.000 0.876 78 Q CB -0.211 28.474 28.738 -0.089 0.000 0.935 78 Q HN 0.564 nan 8.270 nan 0.000 0.455 79 I N -0.746 119.755 120.570 -0.115 0.000 2.480 79 I HA -0.171 4.002 4.170 0.004 0.000 0.251 79 I C 1.945 178.063 176.117 0.001 0.000 1.124 79 I CA 0.469 61.770 61.300 0.003 0.000 1.444 79 I CB 0.036 38.034 38.000 -0.004 0.000 1.098 79 I HN -0.007 nan 8.210 nan 0.000 0.428 80 V N 1.220 121.115 119.914 -0.031 0.000 2.427 80 V HA -0.226 3.896 4.120 0.004 0.000 0.248 80 V C 2.746 178.834 176.094 -0.010 0.000 1.051 80 V CA 1.815 64.102 62.300 -0.023 0.000 1.048 80 V CB -1.000 30.803 31.823 -0.033 0.000 0.666 80 V HN 0.455 nan 8.190 nan 0.000 0.456 81 A N 0.325 123.141 122.820 -0.007 0.000 1.902 81 A HA -0.091 4.231 4.320 0.004 0.000 0.217 81 A C 2.390 179.985 177.584 0.018 0.000 1.181 81 A CA 1.985 54.025 52.037 0.004 0.000 0.623 81 A CB -0.742 18.262 19.000 0.006 0.000 0.818 81 A HN 0.568 nan 8.150 nan 0.000 0.443 82 A N -0.555 122.286 122.820 0.036 0.000 2.067 82 A HA 0.062 4.384 4.320 0.004 0.000 0.219 82 A C 2.018 179.620 177.584 0.030 0.000 1.158 82 A CA 1.224 53.290 52.037 0.047 0.000 0.661 82 A CB -0.496 18.555 19.000 0.086 0.000 0.801 82 A HN 0.511 nan 8.150 nan 0.000 0.452 83 I N -1.083 119.499 120.570 0.019 0.000 2.406 83 I HA -0.136 4.037 4.170 0.004 0.000 0.249 83 I C 2.448 178.565 176.117 0.000 0.000 1.122 83 I CA 1.376 62.680 61.300 0.006 0.000 1.431 83 I CB -0.111 37.886 38.000 -0.004 0.000 1.087 83 I HN 0.209 nan 8.210 nan 0.000 0.424 84 K N 1.084 121.484 120.400 0.000 0.000 2.057 84 K HA -0.126 4.196 4.320 0.004 0.000 0.206 84 K C 2.247 178.848 176.600 0.001 0.000 1.050 84 K CA 1.712 57.998 56.287 -0.003 0.000 0.935 84 K CB -0.518 31.980 32.500 -0.004 0.000 0.715 84 K HN 0.049 nan 8.250 nan 0.000 0.439 85 S N 0.037 115.742 115.700 0.007 0.000 2.348 85 S HA -0.168 4.305 4.470 0.004 0.000 0.221 85 S C 2.149 176.754 174.600 0.007 0.000 1.033 85 S CA 1.762 59.968 58.200 0.009 0.000 1.010 85 S CB -0.336 62.874 63.200 0.016 0.000 0.891 85 S HN 0.477 nan 8.310 nan 0.000 0.442 86 R N 0.524 121.030 120.500 0.009 0.000 2.115 86 R HA 0.185 4.527 4.340 0.004 0.000 0.226 86 R C 2.178 178.478 176.300 0.001 0.000 1.100 86 R CA 1.262 57.365 56.100 0.005 0.000 0.980 86 R CB -0.632 29.672 30.300 0.007 0.000 0.875 86 R HN 0.383 nan 8.270 nan 0.000 0.445 87 A N 0.727 123.546 122.820 -0.002 0.000 2.019 87 A HA -0.148 4.175 4.320 0.004 0.000 0.219 87 A C 1.487 179.069 177.584 -0.004 0.000 1.164 87 A CA 1.740 53.774 52.037 -0.005 0.000 0.644 87 A CB -0.435 18.560 19.000 -0.008 0.000 0.805 87 A HN 0.383 nan 8.150 nan 0.000 0.449 88 D N -0.313 120.086 120.400 -0.003 0.000 2.097 88 D HA -0.138 4.504 4.640 0.004 0.000 0.195 88 D C 2.241 178.540 176.300 -0.002 0.000 0.989 88 D CA 1.508 55.506 54.000 -0.002 0.000 0.827 88 D CB -0.388 40.411 40.800 -0.001 0.000 0.966 88 D HN 0.605 nan 8.370 nan 0.000 0.456 89 Q N -0.344 119.456 119.800 -0.001 0.000 2.061 89 Q HA -0.136 4.207 4.340 0.004 0.000 0.204 89 Q C 1.840 177.839 176.000 -0.002 0.000 0.984 89 Q CA 0.886 56.689 55.803 -0.001 0.000 0.846 89 Q CB -0.085 28.653 28.738 0.001 0.000 0.902 89 Q HN 0.191 nan 8.270 nan 0.000 0.421 90 L N -0.801 120.421 121.223 -0.002 0.000 2.551 90 L HA 0.076 4.418 4.340 0.004 0.000 0.228 90 L C 1.118 177.986 176.870 -0.004 0.000 1.153 90 L CA 1.441 56.279 54.840 -0.003 0.000 0.851 90 L CB -0.793 41.264 42.059 -0.004 0.000 0.959 90 L HN 0.409 nan 8.230 nan 0.000 0.451 91 G N -0.741 108.057 108.800 -0.004 0.000 2.248 91 G HA2 -0.017 3.945 3.960 0.004 0.000 0.263 91 G HA3 -0.017 3.945 3.960 0.004 0.000 0.263 91 G C 0.213 175.109 174.900 -0.005 0.000 1.082 91 G CA 0.192 45.290 45.100 -0.004 0.000 0.863 91 G HN 0.683 nan 8.290 nan 0.000 0.495 92 A N -0.629 122.187 122.820 -0.006 0.000 2.386 92 A HA 0.978 5.300 4.320 0.004 0.000 0.308 92 A C 0.195 177.774 177.584 -0.009 0.000 1.128 92 A CA 0.216 52.248 52.037 -0.008 0.000 0.789 92 A CB 1.622 20.617 19.000 -0.009 0.000 1.325 92 A HN 1.440 nan 8.150 nan 0.000 0.437 93 S N -0.041 115.652 115.700 -0.011 0.000 2.473 93 S HA 0.617 5.089 4.470 0.004 0.000 0.307 93 S C -0.571 174.019 174.600 -0.016 0.000 1.094 93 S CA -0.617 57.576 58.200 -0.012 0.000 1.070 93 S CB 1.412 64.605 63.200 -0.012 0.000 1.019 93 S HN 0.657 nan 8.310 nan 0.000 0.480 94 V N 2.570 122.473 119.914 -0.017 0.000 2.532 94 V HA 0.608 4.731 4.120 0.004 0.000 0.295 94 V C -0.338 175.742 176.094 -0.024 0.000 1.041 94 V CA -0.741 61.546 62.300 -0.022 0.000 0.926 94 V CB 1.721 33.532 31.823 -0.021 0.000 0.992 94 V HN 0.702 nan 8.190 nan 0.000 0.457 95 V N 5.828 125.724 119.914 -0.030 0.000 2.380 95 V HA 0.424 4.546 4.120 0.004 0.000 0.286 95 V C -0.442 175.628 176.094 -0.039 0.000 1.015 95 V CA -0.313 61.969 62.300 -0.031 0.000 0.834 95 V CB 1.942 33.748 31.823 -0.029 0.000 1.009 95 V HN 0.671 nan 8.190 nan 0.000 0.428 96 V N 6.042 125.932 119.914 -0.038 0.000 2.427 96 V HA 0.386 4.508 4.120 0.004 0.000 0.268 96 V C 0.642 176.705 176.094 -0.053 0.000 1.046 96 V CA 0.207 62.478 62.300 -0.047 0.000 0.970 96 V CB 1.297 33.095 31.823 -0.042 0.000 1.001 96 V HN 0.853 nan 8.190 nan 0.000 0.476 97 S N 6.498 122.157 115.700 -0.068 0.000 2.525 97 S HA 0.734 5.206 4.470 0.004 0.000 0.290 97 S C -0.405 174.138 174.600 -0.094 0.000 1.152 97 S CA -0.747 57.409 58.200 -0.074 0.000 1.072 97 S CB 0.732 63.883 63.200 -0.082 0.000 1.027 97 S HN 0.633 nan 8.310 nan 0.000 0.500 98 M N 3.746 123.292 119.600 -0.090 0.000 2.472 98 M HA 0.470 4.952 4.480 0.004 0.000 0.331 98 M C -1.103 175.107 176.300 -0.150 0.000 1.170 98 M CA -0.988 54.245 55.300 -0.111 0.000 1.009 98 M CB 1.888 34.444 32.600 -0.073 0.000 1.672 98 M HN 0.281 nan 8.290 nan 0.000 0.453 99 V N 1.255 121.029 119.914 -0.233 0.000 2.370 99 V HA 0.248 4.370 4.120 0.004 0.000 0.283 99 V C 0.284 176.276 176.094 -0.170 0.000 1.023 99 V CA -0.820 61.289 62.300 -0.318 0.000 0.857 99 V CB 1.104 32.422 31.823 -0.841 0.000 0.985 99 V HN 0.871 nan 8.190 nan 0.000 0.443 100 E N 3.403 123.552 120.200 -0.085 0.000 2.447 100 E HA 0.013 4.366 4.350 0.004 0.000 0.259 100 E C 0.489 177.118 176.600 0.048 0.000 1.196 100 E CA -0.357 56.037 56.400 -0.009 0.000 0.995 100 E CB 0.541 30.243 29.700 0.004 0.000 0.974 100 E HN 0.516 nan 8.360 nan 0.000 0.465 101 R N 0.668 121.214 120.500 0.077 0.000 2.328 101 R HA 0.077 4.420 4.340 0.004 0.000 0.200 101 R C 0.584 176.965 176.300 0.135 0.000 0.983 101 R CA 0.043 56.217 56.100 0.124 0.000 1.062 101 R CB 0.031 30.386 30.300 0.091 0.000 0.956 101 R HN 0.228 nan 8.270 nan 0.000 0.479 102 S N -1.071 114.703 115.700 0.123 0.000 2.305 102 S HA 0.515 4.987 4.470 0.004 0.000 0.239 102 S C 0.743 175.437 174.600 0.158 0.000 1.259 102 S CA -0.069 58.198 58.200 0.111 0.000 0.998 102 S CB 0.256 63.503 63.200 0.078 0.000 0.967 102 S HN 0.425 nan 8.310 nan 0.000 0.469 103 G N -0.989 107.891 108.800 0.132 0.000 2.574 103 G HA2 0.493 4.455 3.960 0.004 0.000 0.299 103 G HA3 0.493 4.455 3.960 0.004 0.000 0.299 103 G C 0.329 175.316 174.900 0.145 0.000 1.298 103 G CA -0.284 44.902 45.100 0.143 0.000 0.952 103 G HN 0.623 nan 8.290 nan 0.000 0.477 104 V N -0.062 119.953 119.914 0.169 0.000 2.201 104 V HA -0.337 3.785 4.120 0.004 0.000 0.170 104 V C 2.340 178.508 176.094 0.124 0.000 1.468 104 V CA 3.232 65.623 62.300 0.152 0.000 1.623 104 V CB -0.158 31.734 31.823 0.115 0.000 1.261 104 V HN 0.843 nan 8.190 nan 0.000 0.584 105 E N -0.742 119.517 120.200 0.099 0.000 2.285 105 E HA 0.044 4.397 4.350 0.004 0.000 0.194 105 E C 2.095 178.738 176.600 0.071 0.000 0.997 105 E CA 1.254 57.702 56.400 0.081 0.000 0.845 105 E CB -0.364 29.372 29.700 0.060 0.000 0.782 105 E HN 0.827 nan 8.360 nan 0.000 0.491 106 A N 0.451 123.314 122.820 0.072 0.000 1.935 106 A HA -0.088 4.234 4.320 0.004 0.000 0.214 106 A C 2.433 179.997 177.584 -0.033 0.000 1.178 106 A CA 0.887 52.941 52.037 0.029 0.000 0.640 106 A CB -0.760 18.270 19.000 0.050 0.000 0.825 106 A HN 0.367 nan 8.150 nan 0.000 0.447 107 C N -0.432 118.874 119.300 0.009 0.000 2.486 107 C HA 0.062 4.524 4.460 0.004 0.000 0.279 107 C C 2.624 177.604 174.990 -0.017 0.000 1.302 107 C CA 1.184 60.164 59.018 -0.062 0.000 1.720 107 C CB -1.020 26.810 27.740 0.149 0.000 2.030 107 C HN 0.595 nan 8.230 nan 0.000 0.490 108 K N 0.309 120.742 120.400 0.055 0.000 2.032 108 K HA -0.173 4.150 4.320 0.004 0.000 0.209 108 K C 2.087 178.759 176.600 0.119 0.000 1.048 108 K CA 2.226 58.560 56.287 0.079 0.000 0.927 108 K CB -0.555 32.041 32.500 0.159 0.000 0.712 108 K HN 0.748 nan 8.250 nan 0.000 0.441 109 T N -0.994 113.645 114.554 0.141 0.000 2.881 109 T HA -0.068 4.284 4.350 0.004 0.000 0.270 109 T C 1.987 176.723 174.700 0.059 0.000 1.068 109 T CA 1.123 63.320 62.100 0.163 0.000 1.131 109 T CB -0.162 68.750 68.868 0.075 0.000 0.871 109 T HN 0.181 nan 8.240 nan 0.000 0.479 110 A N 0.693 123.497 122.820 -0.027 0.000 1.969 110 A HA 0.157 4.479 4.320 0.004 0.000 0.218 110 A C 2.603 180.126 177.584 -0.102 0.000 1.169 110 A CA 1.255 53.244 52.037 -0.079 0.000 0.635 110 A CB -0.966 17.948 19.000 -0.144 0.000 0.810 110 A HN 0.418 nan 8.150 nan 0.000 0.445 111 V N -0.260 119.565 119.914 -0.149 0.000 2.358 111 V HA -0.207 3.915 4.120 0.004 0.000 0.246 111 V C 2.421 178.331 176.094 -0.306 0.000 1.047 111 V CA 1.978 64.132 62.300 -0.243 0.000 1.035 111 V CB -0.860 30.778 31.823 -0.309 0.000 0.658 111 V HN 0.659 nan 8.190 nan 0.000 0.452 112 H N -0.448 118.608 119.070 -0.024 0.000 2.363 112 H HA -0.112 4.446 4.556 0.004 0.000 0.301 112 H C 2.320 177.634 175.328 -0.022 0.000 1.074 112 H CA 1.597 57.635 56.048 -0.018 0.000 1.354 112 H CB -0.502 29.253 29.762 -0.011 0.000 1.397 112 H HN 0.521 nan 8.280 nan 0.000 0.516 113 N N 0.819 119.550 118.700 0.052 0.000 2.061 113 N HA -0.145 4.598 4.740 0.004 0.000 0.193 113 N C 1.987 177.491 175.510 -0.011 0.000 1.030 113 N CA 0.815 53.875 53.050 0.016 0.000 0.856 113 N CB 0.075 38.559 38.487 -0.006 0.000 1.023 113 N HN 0.185 nan 8.380 nan 0.000 0.424 114 L N 0.394 121.591 121.223 -0.044 0.000 1.961 114 L HA -0.179 4.163 4.340 0.004 0.000 0.209 114 L C 2.460 179.300 176.870 -0.050 0.000 1.075 114 L CA 0.636 55.441 54.840 -0.057 0.000 0.749 114 L CB -0.654 41.353 42.059 -0.087 0.000 0.890 114 L HN 0.217 nan 8.230 nan 0.000 0.433 115 L N 0.253 121.434 121.223 -0.071 0.000 2.082 115 L HA -0.332 4.010 4.340 0.004 0.000 0.223 115 L C 2.686 179.546 176.870 -0.017 0.000 1.086 115 L CA 2.267 57.075 54.840 -0.054 0.000 0.793 115 L CB -1.135 40.878 42.059 -0.076 0.000 0.896 115 L HN 0.339 nan 8.230 nan 0.000 0.441 116 A N -1.628 121.193 122.820 0.001 0.000 1.940 116 A HA -0.232 4.091 4.320 0.004 0.000 0.219 116 A C 1.874 179.458 177.584 0.000 0.000 1.176 116 A CA 1.504 53.548 52.037 0.012 0.000 0.631 116 A CB -0.469 18.545 19.000 0.024 0.000 0.814 116 A HN 0.606 nan 8.150 nan 0.000 0.446 117 Q N -0.695 119.099 119.800 -0.009 0.000 2.557 117 Q HA -0.023 4.319 4.340 0.004 0.000 0.217 117 Q C -0.181 175.811 176.000 -0.012 0.000 0.978 117 Q CA 0.654 56.450 55.803 -0.012 0.000 0.950 117 Q CB -0.341 28.386 28.738 -0.018 0.000 0.991 117 Q HN 0.734 nan 8.270 nan 0.000 0.533 118 R N -0.641 119.853 120.500 -0.011 0.000 3.525 118 R HA -0.145 4.197 4.340 0.004 0.000 0.276 118 R C 0.343 176.634 176.300 -0.015 0.000 1.116 118 R CA 0.565 56.659 56.100 -0.010 0.000 0.745 118 R CB -2.715 27.581 30.300 -0.006 0.000 1.185 118 R HN 0.252 nan 8.270 nan 0.000 0.454 119 V N -1.546 118.355 119.914 -0.022 0.000 3.096 119 V HA 0.272 4.394 4.120 0.004 0.000 0.306 119 V C 1.480 177.559 176.094 -0.025 0.000 1.088 119 V CA 0.561 62.845 62.300 -0.027 0.000 1.129 119 V CB 1.928 33.728 31.823 -0.038 0.000 1.014 119 V HN 0.355 nan 8.190 nan 0.000 0.486 120 S N 1.325 117.011 115.700 -0.023 0.000 2.492 120 S HA 0.502 4.975 4.470 0.004 0.000 0.218 120 S C 0.799 175.386 174.600 -0.023 0.000 1.016 120 S CA 0.229 58.418 58.200 -0.019 0.000 0.916 120 S CB 0.107 63.298 63.200 -0.015 0.000 0.791 120 S HN 1.720 nan 8.310 nan 0.000 0.513 121 G N 0.406 109.187 108.800 -0.032 0.000 2.704 121 G HA2 0.654 4.616 3.960 0.004 0.000 0.293 121 G HA3 0.654 4.616 3.960 0.004 0.000 0.293 121 G C -1.926 172.940 174.900 -0.058 0.000 1.421 121 G CA -0.882 44.196 45.100 -0.038 0.000 0.870 121 G HN 0.239 nan 8.290 nan 0.000 0.492 122 L N 0.415 121.592 121.223 -0.077 0.000 2.385 122 L HA 0.592 4.934 4.340 0.004 0.000 0.273 122 L C -1.026 175.755 176.870 -0.148 0.000 0.990 122 L CA -0.767 54.002 54.840 -0.118 0.000 0.821 122 L CB 2.355 44.324 42.059 -0.151 0.000 1.279 122 L HN 0.328 nan 8.230 nan 0.000 0.412 123 I N 4.449 124.931 120.570 -0.146 0.000 2.382 123 I HA 0.307 4.479 4.170 0.004 0.000 0.286 123 I C -0.442 175.564 176.117 -0.186 0.000 1.002 123 I CA -0.173 61.037 61.300 -0.150 0.000 1.135 123 I CB 1.545 39.495 38.000 -0.084 0.000 1.288 123 I HN 0.287 nan 8.210 nan 0.000 0.448 124 I N 5.494 125.888 120.570 -0.292 0.000 2.269 124 I HA 0.184 4.356 4.170 0.004 0.000 0.293 124 I C 0.422 176.495 176.117 -0.072 0.000 1.106 124 I CA -0.225 60.916 61.300 -0.264 0.000 1.248 124 I CB -0.056 37.577 38.000 -0.612 0.000 1.444 124 I HN 0.498 nan 8.210 nan 0.000 0.497 125 N N 6.359 125.056 118.700 -0.005 0.000 3.322 125 N HA 0.112 4.854 4.740 0.004 0.000 0.290 125 N C -1.508 174.112 175.510 0.183 0.000 1.297 125 N CA -0.038 53.044 53.050 0.054 0.000 1.167 125 N CB -0.115 38.379 38.487 0.012 0.000 1.434 125 N HN 0.366 nan 8.380 nan 0.000 0.526 126 Y N 1.403 121.703 120.300 -0.001 0.000 2.399 126 Y HA 0.350 4.902 4.550 0.004 0.000 0.327 126 Y C -2.562 173.381 175.900 0.072 0.000 1.111 126 Y CA -2.268 55.847 58.100 0.025 0.000 1.047 126 Y CB 1.975 40.442 38.460 0.011 0.000 1.259 126 Y HN 0.245 nan 8.280 nan 0.000 0.434 127 P HA 0.042 nan 4.420 nan 0.000 0.263 127 P C -0.784 176.339 177.300 -0.294 0.000 1.345 127 P CA 0.274 63.213 63.100 -0.268 0.000 1.119 127 P CB -0.012 31.562 31.700 -0.209 0.000 1.363 128 L N 3.782 124.954 121.223 -0.084 0.000 2.334 128 L HA 0.300 4.642 4.340 0.004 0.000 0.277 128 L C 0.843 177.700 176.870 -0.023 0.000 1.075 128 L CA 0.037 54.870 54.840 -0.011 0.000 0.804 128 L CB 0.357 42.495 42.059 0.132 0.000 1.174 128 L HN 0.182 nan 8.230 nan 0.000 0.438 129 D N 3.159 123.546 120.400 -0.022 0.000 2.494 129 D HA 0.076 4.718 4.640 0.004 0.000 0.217 129 D C 0.998 177.279 176.300 -0.030 0.000 1.153 129 D CA 0.034 54.016 54.000 -0.029 0.000 0.954 129 D CB 0.473 41.257 40.800 -0.026 0.000 1.034 129 D HN 0.488 nan 8.370 nan 0.000 0.518 130 D N 0.968 121.341 120.400 -0.045 0.000 4.325 130 D HA -0.325 4.317 4.640 0.004 0.000 0.358 130 D C 1.477 177.738 176.300 -0.065 0.000 0.492 130 D CA 1.864 55.827 54.000 -0.062 0.000 1.313 130 D CB 0.064 40.833 40.800 -0.052 0.000 0.677 130 D HN 0.325 nan 8.370 nan 0.000 0.315 131 Q N 0.414 120.189 119.800 -0.041 0.000 2.135 131 Q HA -0.124 4.218 4.340 0.004 0.000 0.204 131 Q C 1.733 177.721 176.000 -0.019 0.000 0.981 131 Q CA 1.326 57.110 55.803 -0.032 0.000 0.856 131 Q CB -0.463 28.264 28.738 -0.018 0.000 0.902 131 Q HN 0.542 nan 8.270 nan 0.000 0.425 132 D N 0.018 120.417 120.400 -0.001 0.000 2.263 132 D HA -0.073 4.569 4.640 0.004 0.000 0.208 132 D C 1.526 177.860 176.300 0.056 0.000 0.971 132 D CA 0.952 54.973 54.000 0.034 0.000 0.867 132 D CB 0.190 41.018 40.800 0.046 0.000 0.929 132 D HN 0.227 nan 8.370 nan 0.000 0.492 133 A N 0.588 123.403 122.820 -0.009 0.000 1.970 133 A HA -0.048 4.275 4.320 0.004 0.000 0.216 133 A C 2.266 179.738 177.584 -0.186 0.000 1.170 133 A CA 0.384 52.362 52.037 -0.099 0.000 0.645 133 A CB -0.305 18.511 19.000 -0.307 0.000 0.816 133 A HN 0.159 nan 8.150 nan 0.000 0.447 134 I N -0.388 120.109 120.570 -0.123 0.000 2.353 134 I HA -0.203 3.970 4.170 0.004 0.000 0.248 134 I C 2.892 179.009 176.117 0.000 0.000 1.119 134 I CA 1.060 62.309 61.300 -0.084 0.000 1.417 134 I CB -0.540 37.424 38.000 -0.061 0.000 1.078 134 I HN 0.358 nan 8.210 nan 0.000 0.421 135 A N 0.966 123.806 122.820 0.032 0.000 1.872 135 A HA -0.099 4.224 4.320 0.004 0.000 0.214 135 A C 2.402 180.050 177.584 0.107 0.000 1.187 135 A CA 1.498 53.573 52.037 0.065 0.000 0.614 135 A CB -0.827 18.211 19.000 0.064 0.000 0.826 135 A HN 0.224 nan 8.150 nan 0.000 0.442 136 V N 0.192 120.203 119.914 0.161 0.000 2.358 136 V HA -0.210 3.912 4.120 0.004 0.000 0.246 136 V C 2.459 178.709 176.094 0.260 0.000 1.047 136 V CA 1.924 64.348 62.300 0.207 0.000 1.035 136 V CB -0.826 31.173 31.823 0.292 0.000 0.658 136 V HN 0.665 nan 8.190 nan 0.000 0.452 137 E N 0.626 121.051 120.200 0.375 0.000 2.171 137 E HA -0.270 4.082 4.350 0.004 0.000 0.197 137 E C 2.139 178.839 176.600 0.167 0.000 0.997 137 E CA 1.720 58.344 56.400 0.372 0.000 0.810 137 E CB -0.046 29.729 29.700 0.125 0.000 0.738 137 E HN 0.593 nan 8.360 nan 0.000 0.467 138 A N 0.452 123.339 122.820 0.111 0.000 2.030 138 A HA 0.205 4.527 4.320 0.004 0.000 0.215 138 A C 2.254 179.882 177.584 0.075 0.000 1.164 138 A CA 1.060 53.142 52.037 0.076 0.000 0.697 138 A CB -0.196 18.839 19.000 0.058 0.000 0.827 138 A HN 0.323 nan 8.150 nan 0.000 0.457 139 A N -0.173 122.697 122.820 0.083 0.000 1.873 139 A HA -0.146 4.176 4.320 0.004 0.000 0.215 139 A C 1.941 179.518 177.584 -0.013 0.000 1.186 139 A CA 1.524 53.610 52.037 0.081 0.000 0.616 139 A CB -1.283 17.776 19.000 0.097 0.000 0.823 139 A HN 1.173 nan 8.150 nan 0.000 0.442 140 C N 0.520 119.797 119.300 -0.038 0.000 2.294 140 C HA 0.477 4.940 4.460 0.004 0.000 0.348 140 C C 1.392 176.374 174.990 -0.013 0.000 1.355 140 C CA -0.359 58.611 59.018 -0.080 0.000 1.774 140 C CB -2.578 25.101 27.740 -0.102 0.000 2.259 140 C HN 0.571 nan 8.230 nan 0.000 0.570 141 T N -0.329 114.237 114.554 0.019 0.000 3.092 141 T HA 0.264 4.616 4.350 0.004 0.000 0.374 141 T C 1.131 175.841 174.700 0.017 0.000 1.190 141 T CA 0.773 62.892 62.100 0.032 0.000 1.021 141 T CB -0.220 68.672 68.868 0.040 0.000 1.556 141 T HN 0.885 nan 8.240 nan 0.000 0.540 142 N N -2.458 116.254 118.700 0.020 0.000 2.624 142 N HA -0.243 4.499 4.740 0.004 0.000 0.222 142 N C -0.070 175.444 175.510 0.008 0.000 0.908 142 N CA 1.117 54.176 53.050 0.014 0.000 1.919 142 N CB -1.687 36.809 38.487 0.014 0.000 0.893 142 N HN 0.567 nan 8.380 nan 0.000 0.549 143 V N 1.440 121.355 119.914 0.002 0.000 2.547 143 V HA 0.534 4.657 4.120 0.004 0.000 0.299 143 V C -2.183 173.911 176.094 -0.000 0.000 1.040 143 V CA -1.990 60.306 62.300 -0.006 0.000 0.913 143 V CB 1.442 33.252 31.823 -0.022 0.000 0.992 143 V HN 0.053 nan 8.190 nan 0.000 0.449 144 P HA 0.320 nan 4.420 nan 0.000 0.271 144 P C -1.262 176.038 177.300 -0.000 0.000 1.226 144 P CA 0.142 63.248 63.100 0.010 0.000 0.765 144 P CB 0.685 32.388 31.700 0.005 0.000 0.835 145 A N 3.973 126.812 122.820 0.032 0.000 2.318 145 A HA 0.624 4.947 4.320 0.004 0.000 0.317 145 A C -1.254 176.362 177.584 0.053 0.000 1.159 145 A CA -0.604 51.426 52.037 -0.012 0.000 0.799 145 A CB 0.484 19.483 19.000 -0.002 0.000 1.194 145 A HN 0.518 nan 8.150 nan 0.000 0.479 146 L N 2.870 124.059 121.223 -0.055 0.000 2.325 146 L HA 0.726 5.068 4.340 0.004 0.000 0.281 146 L C -1.477 175.366 176.870 -0.045 0.000 1.004 146 L CA -0.214 54.655 54.840 0.048 0.000 0.823 146 L CB 0.771 42.837 42.059 0.011 0.000 1.236 146 L HN 0.583 nan 8.230 nan 0.000 0.415 147 F N 5.287 125.238 119.950 0.001 0.000 2.394 147 F HA 0.355 4.884 4.527 0.004 0.000 0.340 147 F C 0.569 176.370 175.800 0.002 0.000 1.105 147 F CA -0.434 57.572 58.000 0.011 0.000 1.124 147 F CB 1.300 40.309 39.000 0.015 0.000 1.145 147 F HN 0.319 nan 8.300 nan 0.000 0.505 148 L N 1.069 122.376 121.223 0.139 0.000 2.717 148 L HA 0.209 4.551 4.340 0.004 0.000 0.239 148 L C 0.190 177.119 176.870 0.099 0.000 1.086 148 L CA 0.748 55.635 54.840 0.078 0.000 0.897 148 L CB -0.070 42.008 42.059 0.031 0.000 1.214 148 L HN 0.474 nan 8.230 nan 0.000 0.508 149 D N 0.546 121.023 120.400 0.127 0.000 2.517 149 D HA 0.440 5.083 4.640 0.004 0.000 0.301 149 D C -0.495 175.866 176.300 0.101 0.000 1.202 149 D CA 0.154 54.218 54.000 0.106 0.000 0.910 149 D CB 0.337 41.182 40.800 0.075 0.000 1.021 149 D HN -0.038 nan 8.370 nan 0.000 0.499 150 V N -1.281 118.690 119.914 0.094 0.000 3.087 150 V HA 0.700 4.822 4.120 0.004 0.000 0.311 150 V C 0.013 176.118 176.094 0.018 0.000 1.333 150 V CA -1.006 61.323 62.300 0.048 0.000 1.054 150 V CB 1.261 33.103 31.823 0.032 0.000 1.123 150 V HN 0.113 nan 8.190 nan 0.000 0.473 151 S N 0.478 116.167 115.700 -0.018 0.000 2.578 151 S HA 0.287 4.759 4.470 0.004 0.000 0.283 151 S C 0.706 175.310 174.600 0.007 0.000 1.195 151 S CA 0.090 58.276 58.200 -0.024 0.000 1.050 151 S CB 0.967 64.136 63.200 -0.051 0.000 1.012 151 S HN 1.011 nan 8.310 nan 0.000 0.511 152 D N 2.979 123.414 120.400 0.058 0.000 2.378 152 D HA -0.108 4.534 4.640 0.004 0.000 0.222 152 D C 0.811 177.130 176.300 0.032 0.000 0.980 152 D CA 0.536 54.575 54.000 0.065 0.000 0.907 152 D CB 0.097 40.972 40.800 0.125 0.000 0.899 152 D HN 0.557 nan 8.370 nan 0.000 0.527 153 Q N 0.660 120.468 119.800 0.015 0.000 2.425 153 Q HA 0.034 4.376 4.340 0.004 0.000 0.204 153 Q C 0.473 176.457 176.000 -0.027 0.000 0.933 153 Q CA 0.429 56.231 55.803 -0.002 0.000 0.939 153 Q CB 0.327 29.062 28.738 -0.005 0.000 1.044 153 Q HN 0.329 nan 8.270 nan 0.000 0.513 154 T N 1.714 116.240 114.554 -0.047 0.000 2.897 154 T HA 0.242 4.595 4.350 0.004 0.000 0.294 154 T C -2.250 172.400 174.700 -0.084 0.000 1.004 154 T CA -1.375 60.675 62.100 -0.084 0.000 1.106 154 T CB 1.204 69.986 68.868 -0.143 0.000 0.949 154 T HN -0.106 nan 8.240 nan 0.000 0.520 155 P HA 0.252 nan 4.420 nan 0.000 0.246 155 P C -0.294 176.952 177.300 -0.090 0.000 1.686 155 P CA -0.006 63.053 63.100 -0.068 0.000 0.867 155 P CB -0.469 31.199 31.700 -0.053 0.000 1.733 156 I N -4.577 115.916 120.570 -0.128 0.000 3.108 156 I HA 0.530 4.703 4.170 0.004 0.000 0.312 156 I C -0.567 175.523 176.117 -0.044 0.000 1.095 156 I CA -1.471 59.740 61.300 -0.149 0.000 1.000 156 I CB 1.912 39.627 38.000 -0.476 0.000 1.229 156 I HN -0.337 nan 8.210 nan 0.000 0.454 157 N N 2.844 121.576 118.700 0.054 0.000 2.422 157 N HA 0.398 5.140 4.740 0.004 0.000 0.264 157 N C -0.744 174.861 175.510 0.159 0.000 1.063 157 N CA -0.126 52.978 53.050 0.090 0.000 0.959 157 N CB 1.347 39.894 38.487 0.101 0.000 1.087 157 N HN 0.791 nan 8.380 nan 0.000 0.483 158 S N 0.955 116.713 115.700 0.096 0.000 2.579 158 S HA 0.654 5.127 4.470 0.004 0.000 0.272 158 S C -0.626 174.004 174.600 0.049 0.000 1.141 158 S CA -0.899 57.370 58.200 0.116 0.000 0.843 158 S CB 1.579 64.833 63.200 0.090 0.000 1.122 158 S HN 0.371 nan 8.310 nan 0.000 0.468 159 I N 1.947 122.533 120.570 0.026 0.000 2.521 159 I HA 0.355 4.527 4.170 0.004 0.000 0.277 159 I C -1.488 174.573 176.117 -0.093 0.000 1.054 159 I CA -0.427 60.844 61.300 -0.050 0.000 1.117 159 I CB 1.079 39.027 38.000 -0.086 0.000 1.217 159 I HN 0.526 nan 8.210 nan 0.000 0.469 160 I N 5.004 125.539 120.570 -0.057 0.000 2.676 160 I HA 0.398 4.570 4.170 0.004 0.000 0.309 160 I C -0.290 175.799 176.117 -0.048 0.000 0.990 160 I CA -0.270 61.024 61.300 -0.010 0.000 1.168 160 I CB 1.136 39.196 38.000 0.100 0.000 1.343 160 I HN 0.129 nan 8.210 nan 0.000 0.482 161 F N 2.064 122.079 119.950 0.108 0.000 2.385 161 F HA 0.303 4.833 4.527 0.005 0.000 0.336 161 F C 0.923 176.776 175.800 0.088 0.000 1.100 161 F CA -0.376 57.669 58.000 0.074 0.000 1.116 161 F CB 1.335 40.382 39.000 0.078 0.000 1.166 161 F HN 0.292 nan 8.300 nan 0.000 0.511 162 S N 2.589 118.437 115.700 0.247 0.000 2.596 162 S HA -0.066 4.406 4.470 0.004 0.000 0.298 162 S C 0.994 175.637 174.600 0.071 0.000 1.255 162 S CA -0.136 58.096 58.200 0.055 0.000 1.083 162 S CB -0.246 62.953 63.200 -0.001 0.000 0.837 162 S HN 0.720 nan 8.310 nan 0.000 0.499 163 H N 3.047 122.180 119.070 0.106 0.000 2.465 163 H HA 0.307 4.865 4.556 0.004 0.000 0.289 163 H C 1.701 177.052 175.328 0.039 0.000 1.022 163 H CA 0.476 56.565 56.048 0.069 0.000 1.340 163 H CB -0.119 29.644 29.762 0.001 0.000 1.437 163 H HN 0.521 nan 8.280 nan 0.000 0.539 164 E N 1.475 121.535 120.200 -0.234 0.000 2.058 164 E HA -0.159 4.193 4.350 0.004 0.000 0.194 164 E C 1.334 177.887 176.600 -0.078 0.000 0.997 164 E CA 1.312 57.704 56.400 -0.013 0.000 0.801 164 E CB -0.177 29.497 29.700 -0.043 0.000 0.746 164 E HN 0.604 nan 8.360 nan 0.000 0.450 165 D N 0.018 120.362 120.400 -0.093 0.000 2.088 165 D HA -0.107 4.536 4.640 0.004 0.000 0.196 165 D C 2.046 178.301 176.300 -0.075 0.000 0.983 165 D CA 1.588 55.525 54.000 -0.105 0.000 0.846 165 D CB -1.004 39.752 40.800 -0.074 0.000 0.992 165 D HN 0.286 nan 8.370 nan 0.000 0.448 166 G N 0.324 109.122 108.800 -0.003 0.000 2.606 166 G HA2 -0.362 3.601 3.960 0.004 0.000 0.221 166 G HA3 -0.362 3.601 3.960 0.004 0.000 0.221 166 G C 1.663 176.698 174.900 0.225 0.000 1.152 166 G CA 2.756 47.917 45.100 0.101 0.000 0.765 166 G HN 0.476 nan 8.290 nan 0.000 0.595 167 T N -1.890 112.673 114.554 0.015 0.000 2.985 167 T HA 0.065 4.417 4.350 0.004 0.000 0.266 167 T C 2.209 176.965 174.700 0.094 0.000 1.076 167 T CA 1.233 63.248 62.100 -0.141 0.000 1.135 167 T CB -0.007 68.693 68.868 -0.280 0.000 0.890 167 T HN 0.404 nan 8.240 nan 0.000 0.480 168 R N 0.706 121.045 120.500 -0.268 0.000 2.066 168 R HA 0.252 4.594 4.340 0.004 0.000 0.224 168 R C 2.456 178.679 176.300 -0.128 0.000 1.122 168 R CA 0.646 56.417 56.100 -0.548 0.000 0.974 168 R CB -0.486 29.263 30.300 -0.917 0.000 0.871 168 R HN 0.368 nan 8.270 nan 0.000 0.435 169 L N 0.048 121.231 121.223 -0.067 0.000 2.079 169 L HA -0.113 4.229 4.340 0.004 0.000 0.210 169 L C 2.465 179.392 176.870 0.096 0.000 1.081 169 L CA 1.508 56.349 54.840 0.000 0.000 0.752 169 L CB -0.596 41.438 42.059 -0.041 0.000 0.896 169 L HN 0.488 nan 8.230 nan 0.000 0.433 170 G N -0.977 107.958 108.800 0.226 0.000 2.408 170 G HA2 -0.102 3.860 3.960 0.004 0.000 0.215 170 G HA3 -0.102 3.860 3.960 0.004 0.000 0.215 170 G C 1.527 176.551 174.900 0.207 0.000 1.156 170 G CA 0.482 45.750 45.100 0.281 0.000 0.793 170 G HN 0.175 nan 8.290 nan 0.000 0.535 171 V N 0.638 120.720 119.914 0.280 0.000 2.871 171 V HA -0.043 4.079 4.120 0.004 0.000 0.256 171 V C 2.459 178.649 176.094 0.160 0.000 1.082 171 V CA 1.600 64.031 62.300 0.217 0.000 1.105 171 V CB -0.095 31.936 31.823 0.345 0.000 0.713 171 V HN 0.449 nan 8.190 nan 0.000 0.473 172 E N -0.641 119.642 120.200 0.139 0.000 2.216 172 E HA -0.122 4.231 4.350 0.004 0.000 0.192 172 E C 2.019 178.701 176.600 0.137 0.000 0.973 172 E CA 0.702 57.172 56.400 0.117 0.000 0.851 172 E CB -0.052 29.691 29.700 0.073 0.000 0.804 172 E HN 0.719 nan 8.360 nan 0.000 0.477 173 H N 1.068 120.168 119.070 0.049 0.000 2.423 173 H HA 0.027 4.585 4.556 0.003 0.000 0.297 173 H C 1.915 177.290 175.328 0.077 0.000 1.075 173 H CA 1.068 57.145 56.048 0.048 0.000 1.342 173 H CB 0.095 29.875 29.762 0.030 0.000 1.395 173 H HN 0.023 nan 8.280 nan 0.000 0.530 174 L N -0.776 120.529 121.223 0.137 0.000 2.131 174 L HA -0.084 4.258 4.340 0.004 0.000 0.206 174 L C 2.279 179.265 176.870 0.193 0.000 1.087 174 L CA 0.674 55.583 54.840 0.116 0.000 0.767 174 L CB -0.175 41.870 42.059 -0.025 0.000 0.917 174 L HN 0.221 nan 8.230 nan 0.000 0.441 175 V N 0.249 120.233 119.914 0.117 0.000 2.270 175 V HA -0.230 3.893 4.120 0.004 0.000 0.245 175 V C 2.783 178.901 176.094 0.041 0.000 1.043 175 V CA 1.714 64.067 62.300 0.088 0.000 1.014 175 V CB -0.914 30.963 31.823 0.089 0.000 0.645 175 V HN 0.449 nan 8.190 nan 0.000 0.447 176 A N -0.305 122.528 122.820 0.022 0.000 1.986 176 A HA -0.177 4.145 4.320 0.004 0.000 0.220 176 A C 2.131 179.687 177.584 -0.047 0.000 1.171 176 A CA 1.781 53.812 52.037 -0.011 0.000 0.640 176 A CB -0.597 18.394 19.000 -0.016 0.000 0.811 176 A HN 0.544 nan 8.150 nan 0.000 0.451 177 L N -1.563 119.622 121.223 -0.063 0.000 2.554 177 L HA 0.170 4.513 4.340 0.004 0.000 0.226 177 L C 1.609 178.369 176.870 -0.183 0.000 1.137 177 L CA 0.549 55.326 54.840 -0.105 0.000 0.863 177 L CB -0.138 41.885 42.059 -0.061 0.000 0.985 177 L HN 0.596 nan 8.230 nan 0.000 0.451 178 G N -0.647 108.080 108.800 -0.122 0.000 2.132 178 G HA2 -0.221 3.742 3.960 0.004 0.000 0.228 178 G HA3 -0.221 3.742 3.960 0.004 0.000 0.228 178 G C 0.074 174.853 174.900 -0.202 0.000 1.000 178 G CA -0.526 44.485 45.100 -0.149 0.000 0.693 178 G HN 0.405 nan 8.290 nan 0.000 0.515 179 H N 0.252 119.309 119.070 -0.021 0.000 2.690 179 H HA 0.325 4.883 4.556 0.003 0.000 0.314 179 H C 1.091 176.416 175.328 -0.006 0.000 1.069 179 H CA 0.446 56.485 56.048 -0.016 0.000 1.436 179 H CB 1.255 31.006 29.762 -0.019 0.000 1.462 179 H HN 0.424 nan 8.280 nan 0.000 0.511 180 Q N 1.792 121.643 119.800 0.085 0.000 2.471 180 Q HA 0.056 4.399 4.340 0.004 0.000 0.241 180 Q C 0.052 176.083 176.000 0.052 0.000 0.886 180 Q CA 0.258 56.094 55.803 0.054 0.000 0.953 180 Q CB 0.872 29.624 28.738 0.024 0.000 1.108 180 Q HN 0.599 nan 8.270 nan 0.000 0.575 181 Q N 1.310 121.144 119.800 0.055 0.000 2.503 181 Q HA 0.377 4.719 4.340 0.004 0.000 0.227 181 Q C -0.995 175.024 176.000 0.030 0.000 1.109 181 Q CA -0.084 55.741 55.803 0.036 0.000 0.922 181 Q CB 0.685 29.440 28.738 0.029 0.000 1.249 181 Q HN 0.191 nan 8.270 nan 0.000 0.530 182 I N 1.121 121.696 120.570 0.010 0.000 2.562 182 I HA 0.644 4.816 4.170 0.004 0.000 0.301 182 I C -0.255 175.831 176.117 -0.051 0.000 1.003 182 I CA -0.881 60.398 61.300 -0.036 0.000 1.127 182 I CB 1.932 39.904 38.000 -0.047 0.000 1.304 182 I HN 0.412 nan 8.210 nan 0.000 0.446 183 A N 5.636 128.402 122.820 -0.090 0.000 2.337 183 A HA 0.870 5.192 4.320 0.004 0.000 0.331 183 A C -1.292 176.202 177.584 -0.150 0.000 1.137 183 A CA -0.482 51.503 52.037 -0.086 0.000 0.807 183 A CB 1.242 20.198 19.000 -0.073 0.000 1.250 183 A HN 0.492 nan 8.150 nan 0.000 0.468 184 L N 1.469 122.619 121.223 -0.121 0.000 2.325 184 L HA 0.463 4.805 4.340 0.004 0.000 0.281 184 L C -0.575 176.238 176.870 -0.096 0.000 1.004 184 L CA -0.036 54.703 54.840 -0.169 0.000 0.823 184 L CB 1.325 43.330 42.059 -0.089 0.000 1.236 184 L HN 0.670 nan 8.230 nan 0.000 0.415 185 L N 3.642 124.809 121.223 -0.094 0.000 2.295 185 L HA 0.710 5.052 4.340 0.004 0.000 0.281 185 L C -0.010 176.866 176.870 0.010 0.000 1.018 185 L CA -0.402 54.416 54.840 -0.037 0.000 0.841 185 L CB 1.300 43.346 42.059 -0.022 0.000 1.218 185 L HN 0.777 nan 8.230 nan 0.000 0.424 186 A N 3.398 126.201 122.820 -0.028 0.000 2.279 186 A HA 0.749 5.071 4.320 0.004 0.000 0.303 186 A C 0.360 177.796 177.584 -0.245 0.000 1.108 186 A CA -0.045 51.953 52.037 -0.066 0.000 0.830 186 A CB 1.114 20.071 19.000 -0.073 0.000 1.106 186 A HN 0.726 nan 8.150 nan 0.000 0.493 187 G N -0.174 108.339 108.800 -0.477 0.000 2.557 187 G HA2 0.564 4.526 3.960 0.004 0.000 0.292 187 G HA3 0.564 4.526 3.960 0.004 0.000 0.292 187 G C -2.569 171.893 174.900 -0.730 0.000 1.237 187 G CA -1.535 42.904 45.100 -1.100 0.000 0.978 187 G HN 0.583 nan 8.290 nan 0.000 0.498 188 P HA 0.029 nan 4.420 nan 0.000 0.261 188 P C 0.782 177.923 177.300 -0.265 0.000 1.203 188 P CA 0.124 62.993 63.100 -0.385 0.000 0.767 188 P CB 0.538 32.050 31.700 -0.313 0.000 0.785 189 L N 2.345 123.460 121.223 -0.180 0.000 2.749 189 L HA -0.098 4.244 4.340 0.004 0.000 0.245 189 L C 1.879 178.699 176.870 -0.083 0.000 1.156 189 L CA 0.560 55.327 54.840 -0.123 0.000 0.890 189 L CB -1.084 40.919 42.059 -0.094 0.000 1.036 189 L HN 0.325 nan 8.230 nan 0.000 0.441 190 S N -2.136 113.517 115.700 -0.079 0.000 2.461 190 S HA -0.008 4.465 4.470 0.004 0.000 0.228 190 S C 1.065 175.639 174.600 -0.044 0.000 1.005 190 S CA -0.007 58.163 58.200 -0.051 0.000 0.942 190 S CB -0.040 63.136 63.200 -0.040 0.000 0.776 190 S HN 0.327 nan 8.310 nan 0.000 0.514 191 S N 1.672 117.353 115.700 -0.032 0.000 2.474 191 S HA 0.236 4.708 4.470 0.004 0.000 0.276 191 S C 1.076 175.673 174.600 -0.005 0.000 1.227 191 S CA -0.387 57.826 58.200 0.022 0.000 1.050 191 S CB 1.598 64.899 63.200 0.169 0.000 0.939 191 S HN 0.211 nan 8.310 nan 0.000 0.490 192 V N 4.502 124.406 119.914 -0.017 0.000 2.626 192 V HA -0.147 3.976 4.120 0.004 0.000 0.252 192 V C 2.085 178.154 176.094 -0.042 0.000 1.067 192 V CA 2.482 64.758 62.300 -0.040 0.000 1.081 192 V CB -0.626 31.172 31.823 -0.041 0.000 0.686 192 V HN 0.978 nan 8.190 nan 0.000 0.468 193 S N 0.750 116.464 115.700 0.024 0.000 2.345 193 S HA -0.023 4.449 4.470 0.004 0.000 0.219 193 S C 2.192 176.805 174.600 0.022 0.000 1.031 193 S CA 1.148 59.376 58.200 0.046 0.000 0.984 193 S CB -0.785 62.498 63.200 0.139 0.000 0.874 193 S HN 0.769 nan 8.310 nan 0.000 0.451 194 A N 2.313 125.190 122.820 0.095 0.000 1.902 194 A HA -0.011 4.312 4.320 0.004 0.000 0.217 194 A C 2.315 179.829 177.584 -0.117 0.000 1.181 194 A CA 1.438 53.464 52.037 -0.019 0.000 0.623 194 A CB -0.794 18.104 19.000 -0.169 0.000 0.818 194 A HN 0.501 nan 8.150 nan 0.000 0.443 195 R N -0.790 119.650 120.500 -0.099 0.000 2.170 195 R HA -0.086 4.256 4.340 0.004 0.000 0.242 195 R C 1.618 177.832 176.300 -0.144 0.000 1.145 195 R CA 1.448 57.483 56.100 -0.108 0.000 0.984 195 R CB -0.273 29.976 30.300 -0.085 0.000 0.869 195 R HN 0.558 nan 8.270 nan 0.000 0.455 196 L N -1.264 119.848 121.223 -0.185 0.000 2.416 196 L HA 0.075 4.418 4.340 0.004 0.000 0.216 196 L C 2.425 179.117 176.870 -0.296 0.000 1.098 196 L CA 0.313 54.993 54.840 -0.266 0.000 0.840 196 L CB -0.060 41.755 42.059 -0.406 0.000 0.981 196 L HN 0.048 nan 8.230 nan 0.000 0.462 197 R N 0.028 120.314 120.500 -0.358 0.000 2.073 197 R HA -0.065 4.277 4.340 0.004 0.000 0.229 197 R C 2.253 178.057 176.300 -0.827 0.000 1.120 197 R CA 1.087 56.786 56.100 -0.668 0.000 0.967 197 R CB -0.064 29.856 30.300 -0.632 0.000 0.862 197 R HN 0.239 nan 8.270 nan 0.000 0.436 198 L N -0.061 120.910 121.223 -0.421 0.000 2.141 198 L HA -0.096 4.246 4.340 0.004 0.000 0.209 198 L C 2.253 178.955 176.870 -0.281 0.000 1.094 198 L CA 1.110 55.801 54.840 -0.248 0.000 0.763 198 L CB -0.269 41.702 42.059 -0.147 0.000 0.908 198 L HN 0.287 nan 8.230 nan 0.000 0.437 199 A N -0.367 122.347 122.820 -0.176 0.000 1.902 199 A HA -0.128 4.194 4.320 0.004 0.000 0.217 199 A C 2.263 179.870 177.584 0.038 0.000 1.181 199 A CA 1.642 53.661 52.037 -0.031 0.000 0.623 199 A CB -1.085 17.896 19.000 -0.033 0.000 0.818 199 A HN 0.480 nan 8.150 nan 0.000 0.443 200 G N -1.819 106.975 108.800 -0.011 0.000 2.396 200 G HA2 -0.191 3.771 3.960 0.004 0.000 0.214 200 G HA3 -0.191 3.771 3.960 0.004 0.000 0.214 200 G C 1.441 176.519 174.900 0.297 0.000 1.166 200 G CA 0.650 45.839 45.100 0.148 0.000 0.793 200 G HN 0.677 nan 8.290 nan 0.000 0.533 201 W N 0.533 121.899 121.300 0.111 0.000 2.290 201 W HA -0.208 4.455 4.660 0.005 0.000 0.311 201 W C 2.627 179.248 176.519 0.170 0.000 1.238 201 W CA 1.191 58.588 57.345 0.086 0.000 1.255 201 W CB -0.230 29.183 29.460 -0.078 0.000 1.145 201 W HN 0.400 nan 8.180 nan 0.000 0.506 202 H N -0.545 118.711 119.070 0.309 0.000 2.261 202 H HA -0.168 4.390 4.556 0.004 0.000 0.301 202 H C 2.258 177.637 175.328 0.085 0.000 1.067 202 H CA 1.386 57.532 56.048 0.162 0.000 1.297 202 H CB -0.377 29.444 29.762 0.098 0.000 1.377 202 H HN -0.018 nan 8.280 nan 0.000 0.492 203 K N 0.694 121.175 120.400 0.136 0.000 2.173 203 K HA -0.238 4.085 4.320 0.004 0.000 0.207 203 K C 1.177 177.617 176.600 -0.267 0.000 1.046 203 K CA 1.808 58.011 56.287 -0.140 0.000 0.929 203 K CB -0.090 32.209 32.500 -0.335 0.000 0.720 203 K HN 0.349 nan 8.250 nan 0.000 0.453 204 Y N 0.042 120.437 120.300 0.157 0.000 2.510 204 Y HA 0.108 4.660 4.550 0.004 0.000 0.273 204 Y C 1.809 177.795 175.900 0.144 0.000 1.119 204 Y CA 0.193 58.379 58.100 0.144 0.000 1.286 204 Y CB 0.245 38.804 38.460 0.165 0.000 1.061 204 Y HN -0.036 nan 8.280 nan 0.000 0.542 205 L N -0.576 120.815 121.223 0.279 0.000 2.162 205 L HA -0.111 4.231 4.340 0.004 0.000 0.205 205 L C 2.499 179.445 176.870 0.126 0.000 1.086 205 L CA 1.733 56.697 54.840 0.207 0.000 0.778 205 L CB -0.564 41.632 42.059 0.228 0.000 0.928 205 L HN 0.291 nan 8.230 nan 0.000 0.446 206 T N -3.099 111.509 114.554 0.090 0.000 3.023 206 T HA -0.130 4.222 4.350 0.004 0.000 0.266 206 T C 1.792 176.511 174.700 0.030 0.000 1.093 206 T CA 0.549 62.670 62.100 0.036 0.000 1.129 206 T CB -0.147 68.719 68.868 -0.003 0.000 0.899 206 T HN 0.207 nan 8.240 nan 0.000 0.491 207 R N 0.517 121.042 120.500 0.041 0.000 2.317 207 R HA 0.301 4.643 4.340 0.004 0.000 0.208 207 R C 0.562 176.908 176.300 0.075 0.000 0.914 207 R CA 0.246 56.370 56.100 0.040 0.000 1.060 207 R CB 0.037 30.350 30.300 0.022 0.000 1.015 207 R HN 0.406 nan 8.270 nan 0.000 0.498 208 N N -0.425 118.329 118.700 0.089 0.000 2.197 208 N HA 0.014 4.757 4.740 0.004 0.000 0.228 208 N C -0.445 175.103 175.510 0.064 0.000 1.212 208 N CA -0.124 52.979 53.050 0.088 0.000 0.883 208 N CB 0.985 39.543 38.487 0.119 0.000 1.107 208 N HN -0.115 nan 8.380 nan 0.000 0.519 209 Q N -1.299 118.531 119.800 0.050 0.000 2.340 209 Q HA -0.160 4.183 4.340 0.004 0.000 0.174 209 Q C -0.281 175.740 176.000 0.036 0.000 0.585 209 Q CA 1.003 56.827 55.803 0.036 0.000 1.358 209 Q CB -1.886 26.870 28.738 0.030 0.000 1.286 209 Q HN 0.466 nan 8.270 nan 0.000 0.940 210 I N 1.781 122.381 120.570 0.051 0.000 2.428 210 I HA 0.289 4.462 4.170 0.004 0.000 0.296 210 I C 0.567 176.715 176.117 0.051 0.000 0.985 210 I CA -0.608 60.724 61.300 0.053 0.000 1.260 210 I CB 1.242 39.283 38.000 0.069 0.000 1.389 210 I HN -0.163 nan 8.210 nan 0.000 0.484 211 Q N 5.501 125.323 119.800 0.037 0.000 2.353 211 Q HA 0.487 4.829 4.340 0.004 0.000 0.268 211 Q C -2.451 173.573 176.000 0.041 0.000 1.045 211 Q CA -2.056 53.763 55.803 0.027 0.000 0.811 211 Q CB 2.005 30.743 28.738 -0.000 0.000 1.305 211 Q HN 0.306 nan 8.270 nan 0.000 0.447 212 P HA 0.175 nan 4.420 nan 0.000 0.271 212 P C 0.379 177.697 177.300 0.031 0.000 1.216 212 P CA 0.004 63.140 63.100 0.059 0.000 0.776 212 P CB 0.372 32.141 31.700 0.115 0.000 0.881 213 I N -0.547 120.032 120.570 0.015 0.000 3.884 213 I HA 0.677 4.849 4.170 0.004 0.000 0.330 213 I C -0.007 176.110 176.117 -0.001 0.000 1.451 213 I CA -0.359 60.944 61.300 0.006 0.000 1.165 213 I CB -0.009 37.992 38.000 0.002 0.000 1.097 213 I HN 0.138 nan 8.210 nan 0.000 0.404 214 A N 1.119 123.941 122.820 0.003 0.000 2.560 214 A HA 0.621 4.944 4.320 0.004 0.000 0.300 214 A C -1.085 176.501 177.584 0.003 0.000 1.062 214 A CA -0.421 51.612 52.037 -0.007 0.000 0.767 214 A CB 1.177 20.162 19.000 -0.026 0.000 1.288 214 A HN 0.348 nan 8.150 nan 0.000 0.396 215 E N 1.290 121.494 120.200 0.007 0.000 2.432 215 E HA 0.422 4.774 4.350 0.004 0.000 0.272 215 E C -0.843 175.754 176.600 -0.004 0.000 0.937 215 E CA -0.247 56.164 56.400 0.020 0.000 0.812 215 E CB 1.259 30.999 29.700 0.067 0.000 1.377 215 E HN 0.642 nan 8.360 nan 0.000 0.399 216 R N 1.351 121.837 120.500 -0.023 0.000 2.854 216 R HA 0.405 4.748 4.340 0.004 0.000 0.271 216 R C -0.803 175.466 176.300 -0.053 0.000 0.996 216 R CA -0.833 55.244 56.100 -0.037 0.000 0.961 216 R CB 1.957 32.231 30.300 -0.044 0.000 1.182 216 R HN 0.454 nan 8.270 nan 0.000 0.479 217 E N 0.305 120.465 120.200 -0.068 0.000 2.266 217 E HA 0.633 4.985 4.350 0.004 0.000 0.268 217 E C -0.922 175.608 176.600 -0.116 0.000 0.879 217 E CA -1.062 55.273 56.400 -0.108 0.000 0.762 217 E CB 2.129 31.758 29.700 -0.119 0.000 1.199 217 E HN 0.635 nan 8.360 nan 0.000 0.422 218 G N 1.070 109.770 108.800 -0.167 0.000 2.788 218 G HA2 0.363 4.325 3.960 0.004 0.000 0.293 218 G HA3 0.363 4.325 3.960 0.004 0.000 0.293 218 G C -0.499 174.268 174.900 -0.221 0.000 1.305 218 G CA -0.483 44.536 45.100 -0.134 0.000 1.005 218 G HN 0.709 nan 8.290 nan 0.000 0.496 219 D N -3.125 117.200 120.400 -0.124 0.000 2.424 219 D HA 0.090 4.733 4.640 0.004 0.000 0.220 219 D C 0.621 176.945 176.300 0.040 0.000 1.150 219 D CA -0.717 53.209 54.000 -0.122 0.000 0.831 219 D CB -0.289 40.501 40.800 -0.015 0.000 0.981 219 D HN 0.730 nan 8.370 nan 0.000 0.500 220 W N -0.165 121.140 121.300 0.009 0.000 0.780 220 W HA -0.301 4.361 4.660 0.003 0.000 0.224 220 W C 0.561 177.078 176.519 -0.004 0.000 0.943 220 W CA 0.402 57.749 57.345 0.004 0.000 0.351 220 W CB -1.828 27.624 29.460 -0.013 0.000 1.941 220 W HN 0.153 nan 8.180 nan 0.000 1.132 221 S N 0.964 116.790 115.700 0.211 0.000 2.600 221 S HA 0.648 5.120 4.470 0.004 0.000 0.265 221 S C 1.095 175.766 174.600 0.119 0.000 1.325 221 S CA -0.099 58.178 58.200 0.128 0.000 1.002 221 S CB 1.659 64.915 63.200 0.094 0.000 0.921 221 S HN 0.570 nan 8.310 nan 0.000 0.554 222 A N 1.323 124.200 122.820 0.094 0.000 1.930 222 A HA -0.056 4.266 4.320 0.004 0.000 0.217 222 A C 2.057 179.696 177.584 0.092 0.000 1.175 222 A CA 1.716 53.800 52.037 0.077 0.000 0.627 222 A CB -0.890 18.131 19.000 0.035 0.000 0.815 222 A HN 0.843 nan 8.150 nan 0.000 0.443 223 M N 0.961 120.610 119.600 0.081 0.000 2.213 223 M HA -0.103 4.379 4.480 0.004 0.000 0.263 223 M C 2.197 178.595 176.300 0.162 0.000 1.062 223 M CA 2.080 57.447 55.300 0.112 0.000 1.105 223 M CB -0.572 32.065 32.600 0.061 0.000 1.385 223 M HN 0.534 nan 8.290 nan 0.000 0.417 224 S N -1.390 114.375 115.700 0.109 0.000 2.461 224 S HA 0.071 4.544 4.470 0.004 0.000 0.228 224 S C 2.050 176.693 174.600 0.072 0.000 1.005 224 S CA 0.747 58.994 58.200 0.077 0.000 0.942 224 S CB -1.122 62.103 63.200 0.043 0.000 0.776 224 S HN 0.530 nan 8.310 nan 0.000 0.514 225 G N 0.480 109.341 108.800 0.101 0.000 2.430 225 G HA2 -0.012 3.951 3.960 0.004 0.000 0.216 225 G HA3 -0.012 3.951 3.960 0.004 0.000 0.216 225 G C 1.127 176.088 174.900 0.102 0.000 1.146 225 G CA 0.586 45.739 45.100 0.087 0.000 0.793 225 G HN 0.556 nan 8.290 nan 0.000 0.537 226 F N 1.226 121.173 119.950 -0.006 0.000 2.128 226 F HA 0.047 4.576 4.527 0.003 0.000 0.295 226 F C 2.848 178.642 175.800 -0.010 0.000 1.100 226 F CA 1.653 59.646 58.000 -0.012 0.000 1.260 226 F CB -0.208 38.785 39.000 -0.013 0.000 1.009 226 F HN 0.160 nan 8.300 nan 0.000 0.476 227 Q N -0.097 119.691 119.800 -0.020 0.000 2.096 227 Q HA -0.226 4.116 4.340 0.004 0.000 0.204 227 Q C 2.181 178.073 176.000 -0.180 0.000 0.982 227 Q CA 1.780 57.492 55.803 -0.153 0.000 0.850 227 Q CB -0.262 28.493 28.738 0.028 0.000 0.901 227 Q HN 0.493 nan 8.270 nan 0.000 0.422 228 Q N -0.558 119.179 119.800 -0.105 0.000 2.172 228 Q HA -0.067 4.275 4.340 0.004 0.000 0.200 228 Q C 1.989 177.919 176.000 -0.117 0.000 0.964 228 Q CA 1.360 57.107 55.803 -0.093 0.000 0.855 228 Q CB -0.048 28.656 28.738 -0.057 0.000 0.918 228 Q HN 0.400 nan 8.270 nan 0.000 0.444 229 T N 0.828 115.296 114.554 -0.143 0.000 2.896 229 T HA -0.069 4.283 4.350 0.004 0.000 0.263 229 T C 1.813 176.401 174.700 -0.186 0.000 1.050 229 T CA 0.885 62.905 62.100 -0.134 0.000 1.140 229 T CB -0.050 68.753 68.868 -0.108 0.000 0.877 229 T HN 0.041 nan 8.240 nan 0.000 0.457 230 M N 1.352 120.757 119.600 -0.325 0.000 2.156 230 M HA 0.020 4.502 4.480 0.004 0.000 0.264 230 M C 2.274 178.444 176.300 -0.216 0.000 1.067 230 M CA 1.490 56.578 55.300 -0.354 0.000 1.131 230 M CB -0.458 31.737 32.600 -0.674 0.000 1.368 230 M HN 0.144 nan 8.290 nan 0.000 0.416 231 Q N -0.806 118.881 119.800 -0.189 0.000 2.096 231 Q HA -0.250 4.093 4.340 0.004 0.000 0.204 231 Q C 2.190 178.137 176.000 -0.088 0.000 0.982 231 Q CA 2.108 57.842 55.803 -0.116 0.000 0.850 231 Q CB -0.490 28.193 28.738 -0.092 0.000 0.901 231 Q HN 0.614 nan 8.270 nan 0.000 0.422 232 M N 0.449 119.996 119.600 -0.089 0.000 2.117 232 M HA -0.166 4.316 4.480 0.004 0.000 0.262 232 M C 1.748 178.013 176.300 -0.059 0.000 1.065 232 M CA 1.512 56.773 55.300 -0.065 0.000 1.114 232 M CB 0.030 32.593 32.600 -0.062 0.000 1.361 232 M HN 0.212 nan 8.290 nan 0.000 0.408 233 L N 0.014 121.194 121.223 -0.071 0.000 2.156 233 L HA -0.160 4.183 4.340 0.004 0.000 0.208 233 L C 1.897 178.738 176.870 -0.049 0.000 1.095 233 L CA 1.241 56.047 54.840 -0.056 0.000 0.770 233 L CB -0.860 41.161 42.059 -0.063 0.000 0.914 233 L HN 0.465 nan 8.230 nan 0.000 0.439 234 N N -0.444 118.220 118.700 -0.059 0.000 2.331 234 N HA -0.178 4.564 4.740 0.004 0.000 0.180 234 N C 1.694 177.182 175.510 -0.036 0.000 1.019 234 N CA 0.346 53.368 53.050 -0.046 0.000 0.881 234 N CB 0.134 38.590 38.487 -0.052 0.000 0.972 234 N HN 0.337 nan 8.380 nan 0.000 0.435 235 E N 0.124 120.301 120.200 -0.038 0.000 2.418 235 E HA -0.075 4.277 4.350 0.004 0.000 0.197 235 E C 0.920 177.505 176.600 -0.024 0.000 1.026 235 E CA 0.633 57.016 56.400 -0.030 0.000 0.862 235 E CB 0.151 29.833 29.700 -0.031 0.000 0.799 235 E HN 0.439 nan 8.360 nan 0.000 0.518 236 G N 0.685 109.470 108.800 -0.025 0.000 2.218 236 G HA2 -0.217 3.745 3.960 0.004 0.000 0.216 236 G HA3 -0.217 3.745 3.960 0.004 0.000 0.216 236 G C 0.291 175.180 174.900 -0.018 0.000 0.994 236 G CA 0.044 45.132 45.100 -0.019 0.000 0.637 236 G HN 0.201 nan 8.290 nan 0.000 0.505 237 I N 1.843 122.400 120.570 -0.022 0.000 2.396 237 I HA 0.415 4.587 4.170 0.004 0.000 0.289 237 I C 0.165 176.270 176.117 -0.021 0.000 1.056 237 I CA -0.403 60.885 61.300 -0.020 0.000 1.365 237 I CB 1.522 39.509 38.000 -0.021 0.000 1.407 237 I HN -0.111 nan 8.210 nan 0.000 0.509 238 V N 8.604 128.510 119.914 -0.014 0.000 2.320 238 V HA 0.253 4.375 4.120 0.004 0.000 0.268 238 V C -1.924 174.168 176.094 -0.004 0.000 1.021 238 V CA -1.330 60.963 62.300 -0.012 0.000 0.813 238 V CB 0.890 32.708 31.823 -0.008 0.000 1.054 238 V HN 0.637 nan 8.190 nan 0.000 0.444 239 P HA 0.183 nan 4.420 nan 0.000 0.274 239 P C 0.842 178.151 177.300 0.015 0.000 1.231 239 P CA -0.043 63.056 63.100 -0.002 0.000 0.790 239 P CB 1.400 33.086 31.700 -0.022 0.000 0.951 240 T N -1.795 112.789 114.554 0.050 0.000 3.081 240 T HA 0.408 4.761 4.350 0.004 0.000 0.255 240 T C 0.673 175.422 174.700 0.082 0.000 1.113 240 T CA 0.262 62.430 62.100 0.114 0.000 1.082 240 T CB -0.113 68.880 68.868 0.208 0.000 0.939 240 T HN 0.708 nan 8.240 nan 0.000 0.506 241 A N 0.740 123.540 122.820 -0.034 0.000 2.582 241 A HA 0.694 5.017 4.320 0.004 0.000 0.297 241 A C -1.200 176.291 177.584 -0.156 0.000 1.059 241 A CA -1.060 50.867 52.037 -0.183 0.000 0.705 241 A CB 1.108 19.800 19.000 -0.513 0.000 1.279 241 A HN 0.304 nan 8.150 nan 0.000 0.404 242 M N 1.913 121.417 119.600 -0.159 0.000 2.456 242 M HA 0.537 5.019 4.480 0.004 0.000 0.324 242 M C -1.117 175.042 176.300 -0.235 0.000 1.124 242 M CA -0.358 54.842 55.300 -0.167 0.000 0.959 242 M CB 1.932 34.468 32.600 -0.108 0.000 1.692 242 M HN 0.541 nan 8.290 nan 0.000 0.444 243 L N 3.290 124.291 121.223 -0.371 0.000 2.295 243 L HA 0.506 4.848 4.340 0.004 0.000 0.281 243 L C -0.724 175.880 176.870 -0.443 0.000 1.018 243 L CA -0.754 53.724 54.840 -0.604 0.000 0.841 243 L CB 1.347 42.661 42.059 -1.242 0.000 1.218 243 L HN 0.454 nan 8.230 nan 0.000 0.424 244 V N 2.163 121.998 119.914 -0.131 0.000 2.863 244 V HA 0.354 4.476 4.120 0.004 0.000 0.307 244 V C 0.959 177.225 176.094 0.287 0.000 1.061 244 V CA -0.111 62.228 62.300 0.065 0.000 1.024 244 V CB 1.696 33.577 31.823 0.097 0.000 1.049 244 V HN 0.847 nan 8.190 nan 0.000 0.471 245 A N 2.728 125.748 122.820 0.334 0.000 2.308 245 A HA 0.307 4.630 4.320 0.004 0.000 0.217 245 A C 0.601 178.502 177.584 0.529 0.000 1.216 245 A CA 0.317 52.614 52.037 0.432 0.000 0.864 245 A CB -0.430 18.765 19.000 0.324 0.000 0.902 245 A HN 0.955 nan 8.150 nan 0.000 0.499 246 N N -1.794 117.191 118.700 0.474 0.000 2.961 246 N HA 0.084 4.826 4.740 0.004 0.000 0.245 246 N C -1.231 174.475 175.510 0.327 0.000 1.404 246 N CA -0.285 53.005 53.050 0.399 0.000 0.880 246 N CB 0.111 38.828 38.487 0.384 0.000 1.461 246 N HN -0.199 nan 8.380 nan 0.000 0.510 247 D N 0.296 120.872 120.400 0.294 0.000 2.224 247 D HA -0.038 4.604 4.640 0.004 0.000 0.205 247 D C 1.374 177.914 176.300 0.400 0.000 0.965 247 D CA 1.326 55.539 54.000 0.355 0.000 0.852 247 D CB 0.259 41.251 40.800 0.319 0.000 0.947 247 D HN 0.540 nan 8.370 nan 0.000 0.494 248 Q N -0.213 119.766 119.800 0.299 0.000 2.016 248 Q HA -0.019 4.324 4.340 0.004 0.000 0.200 248 Q C 2.245 178.336 176.000 0.151 0.000 0.978 248 Q CA 0.871 56.805 55.803 0.218 0.000 0.833 248 Q CB -0.107 28.722 28.738 0.152 0.000 0.895 248 Q HN 0.319 nan 8.270 nan 0.000 0.427 249 M N 0.216 119.930 119.600 0.190 0.000 2.213 249 M HA -0.145 4.338 4.480 0.004 0.000 0.263 249 M C 2.348 178.717 176.300 0.115 0.000 1.062 249 M CA 1.289 56.679 55.300 0.150 0.000 1.105 249 M CB -0.390 32.310 32.600 0.168 0.000 1.385 249 M HN 0.228 nan 8.290 nan 0.000 0.417 250 A N 0.542 123.448 122.820 0.145 0.000 1.933 250 A HA -0.146 4.176 4.320 0.004 0.000 0.218 250 A C 2.175 179.776 177.584 0.028 0.000 1.175 250 A CA 1.187 53.295 52.037 0.119 0.000 0.628 250 A CB -0.827 18.293 19.000 0.200 0.000 0.814 250 A HN 0.490 nan 8.150 nan 0.000 0.444 251 L N -0.695 120.467 121.223 -0.102 0.000 2.017 251 L HA -0.138 4.205 4.340 0.004 0.000 0.208 251 L C 2.616 179.408 176.870 -0.130 0.000 1.073 251 L CA 1.836 56.455 54.840 -0.368 0.000 0.745 251 L CB -0.930 40.744 42.059 -0.641 0.000 0.894 251 L HN 0.470 nan 8.230 nan 0.000 0.432 252 G N -0.946 107.841 108.800 -0.021 0.000 2.421 252 G HA2 -0.288 3.674 3.960 0.004 0.000 0.216 252 G HA3 -0.288 3.674 3.960 0.004 0.000 0.216 252 G C 1.672 176.672 174.900 0.165 0.000 1.171 252 G CA 0.799 45.963 45.100 0.106 0.000 0.775 252 G HN 0.560 nan 8.290 nan 0.000 0.543 253 A N 0.392 123.265 122.820 0.089 0.000 1.940 253 A HA -0.013 4.310 4.320 0.004 0.000 0.219 253 A C 2.454 180.070 177.584 0.053 0.000 1.176 253 A CA 1.926 53.995 52.037 0.054 0.000 0.631 253 A CB -0.348 18.670 19.000 0.029 0.000 0.814 253 A HN 0.402 nan 8.150 nan 0.000 0.446 254 M N -1.698 117.926 119.600 0.041 0.000 2.132 254 M HA -0.079 4.403 4.480 0.004 0.000 0.263 254 M C 2.391 178.722 176.300 0.052 0.000 1.065 254 M CA 1.225 56.544 55.300 0.032 0.000 1.122 254 M CB -0.182 32.421 32.600 0.005 0.000 1.365 254 M HN 0.328 nan 8.290 nan 0.000 0.411 255 R N 0.530 121.071 120.500 0.068 0.000 2.120 255 R HA -0.082 4.260 4.340 0.004 0.000 0.234 255 R C 1.841 178.286 176.300 0.242 0.000 1.123 255 R CA 1.613 57.770 56.100 0.096 0.000 0.975 255 R CB -0.309 30.004 30.300 0.022 0.000 0.866 255 R HN 0.393 nan 8.270 nan 0.000 0.446 256 A N 1.130 124.137 122.820 0.311 0.000 1.832 256 A HA -0.077 4.245 4.320 0.004 0.000 0.214 256 A C 2.298 179.925 177.584 0.072 0.000 1.204 256 A CA 1.091 53.239 52.037 0.185 0.000 0.606 256 A CB -0.615 18.350 19.000 -0.058 0.000 0.849 256 A HN 0.259 nan 8.150 nan 0.000 0.445 257 I N 0.098 120.692 120.570 0.039 0.000 2.145 257 I HA -0.316 3.856 4.170 0.004 0.000 0.244 257 I C 2.614 178.753 176.117 0.036 0.000 1.075 257 I CA 1.983 63.296 61.300 0.022 0.000 1.332 257 I CB -0.845 37.166 38.000 0.019 0.000 1.033 257 I HN 0.306 nan 8.210 nan 0.000 0.410 258 T N 0.065 114.650 114.554 0.051 0.000 2.708 258 T HA -0.193 4.159 4.350 0.004 0.000 0.266 258 T C 1.548 176.278 174.700 0.051 0.000 1.037 258 T CA 1.362 63.489 62.100 0.046 0.000 1.146 258 T CB -0.349 68.544 68.868 0.041 0.000 0.865 258 T HN 0.437 nan 8.240 nan 0.000 0.435 259 E N 1.034 121.281 120.200 0.078 0.000 2.516 259 E HA 0.048 4.400 4.350 0.004 0.000 0.199 259 E C 1.504 178.139 176.600 0.057 0.000 1.069 259 E CA 0.139 56.586 56.400 0.078 0.000 0.876 259 E CB 0.011 29.785 29.700 0.124 0.000 0.843 259 E HN 0.300 nan 8.360 nan 0.000 0.530 260 S N -0.721 115.003 115.700 0.040 0.000 2.540 260 S HA 0.166 4.639 4.470 0.004 0.000 0.218 260 S C 1.355 175.964 174.600 0.016 0.000 0.977 260 S CA 0.375 58.587 58.200 0.019 0.000 0.918 260 S CB 0.995 64.197 63.200 0.004 0.000 0.806 260 S HN 0.501 nan 8.310 nan 0.000 0.496 261 G N 1.057 109.870 108.800 0.021 0.000 2.176 261 G HA2 -0.198 3.764 3.960 0.004 0.000 0.253 261 G HA3 -0.198 3.764 3.960 0.004 0.000 0.253 261 G C -0.097 174.813 174.900 0.016 0.000 0.979 261 G CA -0.156 44.955 45.100 0.018 0.000 0.641 261 G HN 0.332 nan 8.290 nan 0.000 0.530 262 L N 0.106 121.339 121.223 0.017 0.000 2.439 262 L HA 0.670 5.013 4.340 0.004 0.000 0.259 262 L C 1.087 177.970 176.870 0.022 0.000 1.129 262 L CA -0.712 54.138 54.840 0.017 0.000 0.803 262 L CB 0.849 42.916 42.059 0.013 0.000 1.161 262 L HN 0.220 nan 8.230 nan 0.000 0.462 263 R N 0.292 120.805 120.500 0.023 0.000 2.295 263 R HA 0.473 4.816 4.340 0.004 0.000 0.324 263 R C -1.008 175.311 176.300 0.031 0.000 0.968 263 R CA -0.847 55.269 56.100 0.027 0.000 0.837 263 R CB 1.477 31.793 30.300 0.026 0.000 1.133 263 R HN 0.278 nan 8.270 nan 0.000 0.450 264 V N 3.645 123.579 119.914 0.033 0.000 2.485 264 V HA 0.166 4.288 4.120 0.004 0.000 0.287 264 V C 1.363 177.482 176.094 0.042 0.000 1.022 264 V CA 1.551 63.872 62.300 0.036 0.000 1.067 264 V CB 0.428 32.275 31.823 0.041 0.000 0.967 264 V HN 1.178 nan 8.190 nan 0.000 0.479 265 G N 4.662 113.489 108.800 0.045 0.000 3.642 265 G HA2 -0.207 3.755 3.960 0.004 0.000 0.205 265 G HA3 -0.207 3.755 3.960 0.004 0.000 0.205 265 G C 1.021 175.965 174.900 0.072 0.000 1.526 265 G CA 0.373 45.508 45.100 0.058 0.000 1.097 265 G HN 1.149 nan 8.290 nan 0.000 0.596 266 A N 0.163 123.016 122.820 0.055 0.000 1.854 266 A HA 0.205 4.527 4.320 0.004 0.000 0.214 266 A C 1.901 179.515 177.584 0.051 0.000 1.192 266 A CA 2.531 54.597 52.037 0.049 0.000 0.611 266 A CB -0.402 18.617 19.000 0.033 0.000 0.832 266 A HN 0.471 nan 8.150 nan 0.000 0.442 267 D N -1.043 119.383 120.400 0.043 0.000 2.216 267 D HA 0.190 4.832 4.640 0.004 0.000 0.208 267 D C 0.285 176.614 176.300 0.048 0.000 0.960 267 D CA 0.799 54.822 54.000 0.038 0.000 0.861 267 D CB 0.383 41.198 40.800 0.025 0.000 0.985 267 D HN 0.366 nan 8.370 nan 0.000 0.493 268 I N 0.844 121.439 120.570 0.042 0.000 2.529 268 I HA 0.098 4.270 4.170 0.004 0.000 0.284 268 I C -0.391 175.733 176.117 0.011 0.000 1.088 268 I CA -0.325 60.991 61.300 0.026 0.000 1.062 268 I CB 2.275 40.279 38.000 0.005 0.000 1.218 268 I HN -0.293 nan 8.210 nan 0.000 0.442 269 S N 4.179 119.866 115.700 -0.021 0.000 2.614 269 S HA 0.669 5.141 4.470 0.004 0.000 0.265 269 S C -0.205 174.345 174.600 -0.082 0.000 1.303 269 S CA -0.491 57.674 58.200 -0.058 0.000 1.000 269 S CB 1.647 64.740 63.200 -0.177 0.000 0.935 269 S HN 0.356 nan 8.310 nan 0.000 0.551 270 V N 1.303 121.190 119.914 -0.044 0.000 2.888 270 V HA 0.546 4.668 4.120 0.004 0.000 0.309 270 V C -1.064 175.022 176.094 -0.014 0.000 1.114 270 V CA -0.725 61.555 62.300 -0.034 0.000 0.940 270 V CB 2.027 33.859 31.823 0.014 0.000 1.021 270 V HN 0.579 nan 8.190 nan 0.000 0.426 271 V N 2.827 122.726 119.914 -0.025 0.000 2.462 271 V HA 0.680 4.802 4.120 0.004 0.000 0.288 271 V C 0.742 176.888 176.094 0.086 0.000 1.020 271 V CA 0.174 62.483 62.300 0.014 0.000 0.857 271 V CB 1.409 33.225 31.823 -0.011 0.000 1.013 271 V HN 1.065 nan 8.190 nan 0.000 0.431 272 G N 2.487 111.369 108.800 0.137 0.000 2.485 272 G HA2 0.357 4.319 3.960 0.004 0.000 0.260 272 G HA3 0.357 4.319 3.960 0.004 0.000 0.260 272 G C -1.105 174.003 174.900 0.347 0.000 1.459 272 G CA -0.045 45.192 45.100 0.228 0.000 1.060 272 G HN 0.686 nan 8.290 nan 0.000 0.546 273 Y N -0.300 120.107 120.300 0.178 0.000 2.364 273 Y HA 0.366 4.919 4.550 0.004 0.000 0.326 273 Y C -0.589 175.373 175.900 0.104 0.000 1.178 273 Y CA -0.640 57.554 58.100 0.157 0.000 1.422 273 Y CB 0.829 39.450 38.460 0.268 0.000 1.178 273 Y HN 0.558 nan 8.280 nan 0.000 0.475 274 D N 1.109 121.551 120.400 0.069 0.000 1.274 274 D HA -0.017 4.625 4.640 0.004 0.000 0.860 274 D C -0.571 175.680 176.300 -0.083 0.000 0.364 274 D CA 1.042 55.087 54.000 0.075 0.000 1.382 274 D CB -0.239 40.738 40.800 0.294 0.000 0.968 274 D HN 0.396 nan 8.370 nan 0.000 0.390 275 D N 1.284 121.663 120.400 -0.036 0.000 2.760 275 D HA -0.123 4.520 4.640 0.004 0.000 0.244 275 D C -0.538 175.768 176.300 0.010 0.000 1.123 275 D CA 1.197 55.152 54.000 -0.076 0.000 0.719 275 D CB -0.958 39.740 40.800 -0.169 0.000 1.045 275 D HN 0.278 nan 8.370 nan 0.000 0.426 276 T N -1.611 112.996 114.554 0.088 0.000 2.813 276 T HA 0.214 4.566 4.350 0.004 0.000 0.297 276 T C 1.447 176.153 174.700 0.010 0.000 1.036 276 T CA -0.205 61.981 62.100 0.144 0.000 1.044 276 T CB 1.093 70.077 68.868 0.194 0.000 0.993 276 T HN 0.196 nan 8.240 nan 0.000 0.535 277 E N 0.307 120.514 120.200 0.012 0.000 2.130 277 E HA -0.196 4.157 4.350 0.004 0.000 0.196 277 E C 1.468 178.002 176.600 -0.110 0.000 0.998 277 E CA 1.560 57.934 56.400 -0.043 0.000 0.806 277 E CB -0.027 29.654 29.700 -0.031 0.000 0.738 277 E HN 0.596 nan 8.360 nan 0.000 0.459 278 D N -0.838 119.471 120.400 -0.152 0.000 2.194 278 D HA -0.045 4.597 4.640 0.004 0.000 0.204 278 D C 1.868 177.857 176.300 -0.518 0.000 0.964 278 D CA 0.662 54.527 54.000 -0.224 0.000 0.846 278 D CB -0.273 40.470 40.800 -0.094 0.000 0.962 278 D HN 0.013 nan 8.370 nan 0.000 0.490 279 S N 0.681 115.961 115.700 -0.701 0.000 2.413 279 S HA -0.250 4.222 4.470 0.004 0.000 0.237 279 S C 2.113 176.428 174.600 -0.474 0.000 1.044 279 S CA 1.607 59.273 58.200 -0.891 0.000 1.024 279 S CB -0.504 62.432 63.200 -0.441 0.000 0.829 279 S HN 0.456 nan 8.310 nan 0.000 0.475 280 S N 0.020 115.557 115.700 -0.272 0.000 2.419 280 S HA -0.094 4.379 4.470 0.004 0.000 0.233 280 S C 1.488 176.030 174.600 -0.097 0.000 1.016 280 S CA 1.134 59.248 58.200 -0.143 0.000 0.974 280 S CB -0.707 62.434 63.200 -0.099 0.000 0.786 280 S HN 0.607 nan 8.310 nan 0.000 0.492 281 C N 0.905 120.138 119.300 -0.111 0.000 2.881 281 C HA 0.495 4.957 4.460 0.004 0.000 0.290 281 C C 0.041 175.104 174.990 0.123 0.000 1.362 281 C CA -1.300 57.717 59.018 -0.003 0.000 1.757 281 C CB -1.776 25.966 27.740 0.003 0.000 2.265 281 C HN 0.436 nan 8.230 nan 0.000 0.600 282 Y N 0.794 121.103 120.300 0.015 0.000 2.426 282 Y HA 0.130 4.682 4.550 0.003 0.000 0.344 282 Y C 1.448 177.360 175.900 0.019 0.000 1.256 282 Y CA -0.753 57.360 58.100 0.022 0.000 1.451 282 Y CB 0.146 38.626 38.460 0.033 0.000 1.342 282 Y HN 0.077 nan 8.280 nan 0.000 0.600 283 I N 2.580 123.259 120.570 0.182 0.000 2.032 283 I HA -0.189 3.983 4.170 0.004 0.000 0.228 283 I C -1.544 174.634 176.117 0.102 0.000 1.030 283 I CA 1.133 62.495 61.300 0.103 0.000 1.318 283 I CB -1.885 36.150 38.000 0.057 0.000 1.049 283 I HN 0.478 nan 8.210 nan 0.000 0.387 284 P HA 0.138 nan 4.420 nan 0.000 0.275 284 P C -2.452 174.911 177.300 0.106 0.000 1.276 284 P CA -1.187 61.962 63.100 0.082 0.000 0.782 284 P CB 0.202 31.943 31.700 0.069 0.000 0.851 285 P HA -0.127 nan 4.420 nan 0.000 0.252 285 P C -0.157 177.176 177.300 0.055 0.000 1.147 285 P CA 0.245 63.376 63.100 0.052 0.000 0.779 285 P CB 0.089 31.800 31.700 0.019 0.000 0.733 286 L N 5.234 126.501 121.223 0.074 0.000 2.455 286 L HA 0.097 4.439 4.340 0.004 0.000 0.272 286 L C 0.178 177.059 176.870 0.018 0.000 1.174 286 L CA 0.977 55.869 54.840 0.086 0.000 0.869 286 L CB -0.032 42.132 42.059 0.175 0.000 1.130 286 L HN 0.245 nan 8.230 nan 0.000 0.474 287 T N 4.838 119.402 114.554 0.018 0.000 2.737 287 T HA 0.498 4.850 4.350 0.004 0.000 0.296 287 T C 0.017 174.697 174.700 -0.034 0.000 0.922 287 T CA -0.127 61.955 62.100 -0.031 0.000 1.079 287 T CB 0.087 68.936 68.868 -0.032 0.000 0.892 287 T HN 0.851 nan 8.240 nan 0.000 0.514 288 T N 0.899 115.411 114.554 -0.069 0.000 2.864 288 T HA 0.596 4.948 4.350 0.004 0.000 0.289 288 T C -0.420 174.191 174.700 -0.148 0.000 1.082 288 T CA -1.011 61.051 62.100 -0.063 0.000 1.009 288 T CB 1.132 69.968 68.868 -0.054 0.000 1.234 288 T HN 0.221 nan 8.240 nan 0.000 0.526 289 I N 1.954 122.402 120.570 -0.204 0.000 2.281 289 I HA 0.269 4.441 4.170 0.004 0.000 0.293 289 I C 0.645 176.448 176.117 -0.522 0.000 1.085 289 I CA -0.589 60.457 61.300 -0.423 0.000 1.257 289 I CB 0.370 37.884 38.000 -0.811 0.000 1.430 289 I HN 0.697 nan 8.210 nan 0.000 0.489 290 K N 6.904 127.057 120.400 -0.412 0.000 2.412 290 K HA 0.110 4.432 4.320 0.004 0.000 0.284 290 K C -0.281 175.928 176.600 -0.652 0.000 1.046 290 K CA -0.116 55.905 56.287 -0.443 0.000 0.999 290 K CB 0.548 32.856 32.500 -0.320 0.000 0.941 290 K HN 0.526 nan 8.250 nan 0.000 0.474 291 Q N 3.412 122.687 119.800 -0.874 0.000 2.368 291 Q HA 0.061 4.403 4.340 0.004 0.000 0.263 291 Q C -1.092 174.051 176.000 -1.428 0.000 1.009 291 Q CA -0.606 54.316 55.803 -1.468 0.000 0.818 291 Q CB 1.471 29.294 28.738 -1.526 0.000 1.239 291 Q HN 0.498 nan 8.270 nan 0.000 0.464 292 D N 2.924 122.824 120.400 -0.834 0.000 2.416 292 D HA 0.033 4.675 4.640 0.004 0.000 0.240 292 D C 0.100 176.371 176.300 -0.050 0.000 1.250 292 D CA -0.169 53.623 54.000 -0.346 0.000 0.967 292 D CB 0.125 40.864 40.800 -0.102 0.000 1.059 292 D HN 0.382 nan 8.370 nan 0.000 0.512 293 F N 2.060 122.106 119.950 0.160 0.000 2.546 293 F HA -0.043 4.486 4.527 0.003 0.000 0.298 293 F C 2.323 178.192 175.800 0.115 0.000 1.120 293 F CA 0.238 58.355 58.000 0.195 0.000 1.456 293 F CB -0.316 38.756 39.000 0.119 0.000 1.088 293 F HN 0.296 nan 8.300 nan 0.000 0.572 294 R N 1.204 121.829 120.500 0.208 0.000 2.055 294 R HA -0.072 4.270 4.340 0.004 0.000 0.226 294 R C 1.952 178.308 176.300 0.093 0.000 1.135 294 R CA 1.309 57.483 56.100 0.123 0.000 0.959 294 R CB -1.161 29.185 30.300 0.076 0.000 0.854 294 R HN 0.262 nan 8.270 nan 0.000 0.431 295 L N 0.431 121.707 121.223 0.087 0.000 2.083 295 L HA -0.026 4.317 4.340 0.004 0.000 0.209 295 L C 2.011 178.908 176.870 0.045 0.000 1.083 295 L CA 1.687 56.563 54.840 0.060 0.000 0.752 295 L CB -0.606 41.492 42.059 0.066 0.000 0.899 295 L HN 0.419 nan 8.230 nan 0.000 0.433 296 L N -0.750 120.522 121.223 0.082 0.000 2.046 296 L HA -0.105 4.237 4.340 0.004 0.000 0.208 296 L C 2.260 179.139 176.870 0.015 0.000 1.077 296 L CA 1.831 56.661 54.840 -0.017 0.000 0.747 296 L CB -1.156 40.909 42.059 0.010 0.000 0.896 296 L HN 0.503 nan 8.230 nan 0.000 0.432 297 G N -1.030 107.812 108.800 0.069 0.000 2.422 297 G HA2 -0.290 3.672 3.960 0.004 0.000 0.218 297 G HA3 -0.290 3.672 3.960 0.004 0.000 0.218 297 G C 1.449 176.362 174.900 0.020 0.000 1.140 297 G CA 0.587 45.715 45.100 0.046 0.000 0.775 297 G HN 0.499 nan 8.290 nan 0.000 0.545 298 Q N 0.807 120.620 119.800 0.020 0.000 2.062 298 Q HA -0.118 4.225 4.340 0.004 0.000 0.196 298 Q C 2.685 178.683 176.000 -0.003 0.000 0.967 298 Q CA 2.142 57.950 55.803 0.009 0.000 0.832 298 Q CB -0.529 28.216 28.738 0.012 0.000 0.899 298 Q HN 0.515 nan 8.270 nan 0.000 0.442 299 T N -0.793 113.755 114.554 -0.010 0.000 2.746 299 T HA -0.136 4.217 4.350 0.004 0.000 0.267 299 T C 2.201 176.886 174.700 -0.024 0.000 1.039 299 T CA 1.750 63.838 62.100 -0.021 0.000 1.142 299 T CB -0.654 68.193 68.868 -0.035 0.000 0.866 299 T HN 0.406 nan 8.240 nan 0.000 0.444 300 S N 1.397 117.080 115.700 -0.028 0.000 2.368 300 S HA -0.073 4.399 4.470 0.004 0.000 0.225 300 S C 2.089 176.678 174.600 -0.018 0.000 1.030 300 S CA 1.028 59.212 58.200 -0.026 0.000 0.999 300 S CB -1.138 62.045 63.200 -0.030 0.000 0.844 300 S HN 0.371 nan 8.310 nan 0.000 0.459 301 V N 3.171 123.077 119.914 -0.014 0.000 2.270 301 V HA -0.164 3.958 4.120 0.004 0.000 0.245 301 V C 2.505 178.593 176.094 -0.011 0.000 1.043 301 V CA 2.229 64.521 62.300 -0.012 0.000 1.014 301 V CB -0.855 30.963 31.823 -0.008 0.000 0.645 301 V HN 0.455 nan 8.190 nan 0.000 0.447 302 D N -0.121 120.274 120.400 -0.009 0.000 2.097 302 D HA -0.207 4.435 4.640 0.004 0.000 0.195 302 D C 2.241 178.537 176.300 -0.007 0.000 0.989 302 D CA 1.515 55.511 54.000 -0.007 0.000 0.827 302 D CB -0.381 40.416 40.800 -0.006 0.000 0.966 302 D HN 0.344 nan 8.370 nan 0.000 0.456 303 R N 0.236 120.731 120.500 -0.008 0.000 2.152 303 R HA -0.123 4.219 4.340 0.004 0.000 0.232 303 R C 2.160 178.459 176.300 -0.003 0.000 1.117 303 R CA 0.644 56.741 56.100 -0.005 0.000 0.981 303 R CB -0.204 30.093 30.300 -0.006 0.000 0.870 303 R HN 0.114 nan 8.270 nan 0.000 0.451 304 L N 0.740 121.959 121.223 -0.006 0.000 2.072 304 L HA -0.023 4.320 4.340 0.004 0.000 0.205 304 L C 1.815 178.681 176.870 -0.007 0.000 1.079 304 L CA 1.545 56.381 54.840 -0.007 0.000 0.752 304 L CB -0.304 41.745 42.059 -0.017 0.000 0.906 304 L HN 0.203 nan 8.230 nan 0.000 0.436 305 L N -0.313 120.906 121.223 -0.008 0.000 2.201 305 L HA -0.184 4.158 4.340 0.004 0.000 0.212 305 L C 2.581 179.449 176.870 -0.004 0.000 1.105 305 L CA 1.399 56.235 54.840 -0.006 0.000 0.775 305 L CB -0.639 41.416 42.059 -0.007 0.000 0.913 305 L HN 0.534 nan 8.230 nan 0.000 0.440 306 Q N -0.362 119.436 119.800 -0.002 0.000 2.302 306 Q HA -0.082 4.261 4.340 0.004 0.000 0.202 306 Q C 2.212 178.213 176.000 0.001 0.000 0.936 306 Q CA 0.744 56.547 55.803 -0.001 0.000 0.886 306 Q CB -0.195 28.543 28.738 -0.001 0.000 0.986 306 Q HN 0.479 nan 8.270 nan 0.000 0.487 307 L N 1.645 122.869 121.223 0.003 0.000 2.141 307 L HA -0.139 4.203 4.340 0.004 0.000 0.209 307 L C 2.771 179.643 176.870 0.005 0.000 1.094 307 L CA 1.297 56.141 54.840 0.007 0.000 0.763 307 L CB -0.248 41.818 42.059 0.011 0.000 0.908 307 L HN 0.406 nan 8.230 nan 0.000 0.437 308 S N -0.854 114.847 115.700 0.001 0.000 2.374 308 S HA -0.223 4.250 4.470 0.004 0.000 0.227 308 S C 1.391 175.991 174.600 0.000 0.000 1.037 308 S CA 1.116 59.315 58.200 -0.001 0.000 1.024 308 S CB -0.071 63.126 63.200 -0.005 0.000 0.861 308 S HN 0.465 nan 8.310 nan 0.000 0.456 309 Q N -0.519 119.281 119.800 0.000 0.000 2.860 309 Q HA 0.380 4.723 4.340 0.004 0.000 0.207 309 Q C 1.622 177.623 176.000 0.003 0.000 1.139 309 Q CA 0.453 56.257 55.803 0.001 0.000 0.661 309 Q CB -0.259 28.479 28.738 0.000 0.000 4.670 309 Q HN 0.533 nan 8.270 nan 0.000 0.380 310 G N -0.576 108.226 108.800 0.003 0.000 3.159 310 G HA2 0.034 3.996 3.960 0.004 0.000 0.232 310 G HA3 0.034 3.996 3.960 0.004 0.000 0.232 310 G C -0.361 174.542 174.900 0.004 0.000 1.116 310 G CA -0.100 45.002 45.100 0.004 0.000 0.767 310 G HN 0.265 nan 8.290 nan 0.000 0.547 311 Q N 1.341 121.143 119.800 0.003 0.000 2.337 311 Q HA 0.531 4.873 4.340 0.004 0.000 0.255 311 Q C 1.281 177.284 176.000 0.005 0.000 1.205 311 Q CA 0.224 56.029 55.803 0.003 0.000 0.902 311 Q CB 1.114 29.853 28.738 0.002 0.000 1.433 311 Q HN 0.286 nan 8.270 nan 0.000 0.471 312 A N 2.204 125.027 122.820 0.005 0.000 1.881 312 A HA -0.097 4.225 4.320 0.004 0.000 0.208 312 A C 0.922 178.510 177.584 0.006 0.000 1.264 312 A CA 1.093 53.134 52.037 0.007 0.000 0.629 312 A CB -0.534 18.469 19.000 0.006 0.000 0.906 312 A HN 0.853 nan 8.150 nan 0.000 0.476 313 V N -0.336 119.581 119.914 0.005 0.000 3.669 313 V HA -0.285 3.838 4.120 0.004 0.000 0.202 313 V C 0.654 176.751 176.094 0.005 0.000 0.483 313 V CA 1.735 64.037 62.300 0.003 0.000 1.003 313 V CB -2.841 28.983 31.823 0.002 0.000 1.111 313 V HN 0.932 nan 8.190 nan 0.000 1.168 314 K N 0.772 121.176 120.400 0.007 0.000 2.202 314 K HA 0.645 4.967 4.320 0.004 0.000 0.264 314 K C 0.724 177.328 176.600 0.007 0.000 1.010 314 K CA 0.173 56.466 56.287 0.010 0.000 0.940 314 K CB 1.853 34.361 32.500 0.013 0.000 0.983 314 K HN 0.941 nan 8.250 nan 0.000 0.475 315 G N 1.268 110.073 108.800 0.008 0.000 2.249 315 G HA2 -0.139 3.823 3.960 0.004 0.000 0.089 315 G HA3 -0.139 3.823 3.960 0.004 0.000 0.089 315 G C -1.596 173.307 174.900 0.004 0.000 1.206 315 G CA -0.226 44.875 45.100 0.002 0.000 1.190 315 G HN 0.931 nan 8.290 nan 0.000 0.454 316 N N 0.345 119.047 118.700 0.004 0.000 2.361 316 N HA 0.622 5.364 4.740 0.004 0.000 0.302 316 N C -0.727 174.786 175.510 0.006 0.000 1.074 316 N CA -0.275 52.779 53.050 0.008 0.000 0.850 316 N CB 2.070 40.564 38.487 0.011 0.000 1.228 316 N HN 0.665 nan 8.380 nan 0.000 0.491 317 Q N 2.394 122.196 119.800 0.003 0.000 2.290 317 Q HA 0.414 4.757 4.340 0.004 0.000 0.269 317 Q C -1.498 174.491 176.000 -0.019 0.000 1.016 317 Q CA -0.734 55.064 55.803 -0.009 0.000 0.754 317 Q CB 1.107 29.835 28.738 -0.016 0.000 1.247 317 Q HN 0.533 nan 8.270 nan 0.000 0.451 318 L N 4.635 125.851 121.223 -0.011 0.000 2.275 318 L HA 0.454 4.797 4.340 0.004 0.000 0.288 318 L C -0.362 176.502 176.870 -0.010 0.000 1.046 318 L CA -0.185 54.651 54.840 -0.007 0.000 0.805 318 L CB 0.817 42.878 42.059 0.002 0.000 1.193 318 L HN 0.662 nan 8.230 nan 0.000 0.426 319 L N 6.006 127.217 121.223 -0.021 0.000 2.357 319 L HA 0.452 4.794 4.340 0.004 0.000 0.273 319 L C -1.649 175.309 176.870 0.146 0.000 1.080 319 L CA -1.537 53.314 54.840 0.018 0.000 0.803 319 L CB 1.484 43.473 42.059 -0.117 0.000 1.174 319 L HN 0.429 nan 8.230 nan 0.000 0.443 320 P HA 0.245 nan 4.420 nan 0.000 0.288 320 P C -0.938 176.407 177.300 0.075 0.000 1.291 320 P CA -0.238 62.906 63.100 0.073 0.000 0.766 320 P CB 1.457 33.169 31.700 0.020 0.000 1.242 321 V N -1.813 118.068 119.914 -0.054 0.000 3.278 321 V HA 0.448 4.570 4.120 0.004 0.000 0.288 321 V C -0.788 175.192 176.094 -0.189 0.000 1.514 321 V CA -0.272 61.908 62.300 -0.200 0.000 1.051 321 V CB 2.181 33.858 31.823 -0.244 0.000 1.163 321 V HN 0.994 nan 8.190 nan 0.000 0.458 322 S N 1.929 117.481 115.700 -0.247 0.000 2.656 322 S HA 0.805 5.277 4.470 0.004 0.000 0.273 322 S C -1.460 173.013 174.600 -0.212 0.000 1.168 322 S CA -0.733 57.353 58.200 -0.190 0.000 0.817 322 S CB 1.922 65.033 63.200 -0.149 0.000 1.146 322 S HN 1.115 nan 8.310 nan 0.000 0.475 323 L N 1.844 122.966 121.223 -0.169 0.000 2.262 323 L HA 0.646 4.988 4.340 0.004 0.000 0.288 323 L C -1.193 175.571 176.870 -0.176 0.000 1.035 323 L CA -0.447 54.281 54.840 -0.188 0.000 0.820 323 L CB 0.958 42.898 42.059 -0.197 0.000 1.204 323 L HN 0.599 nan 8.230 nan 0.000 0.424 324 V N 5.740 125.551 119.914 -0.172 0.000 2.372 324 V HA 0.244 4.367 4.120 0.004 0.000 0.261 324 V C 0.497 176.513 176.094 -0.131 0.000 1.055 324 V CA -0.602 61.616 62.300 -0.136 0.000 0.930 324 V CB 0.262 32.008 31.823 -0.127 0.000 1.031 324 V HN 0.667 nan 8.190 nan 0.000 0.479 325 K N 5.484 125.817 120.400 -0.111 0.000 2.368 325 K HA 0.412 4.734 4.320 0.004 0.000 0.282 325 K C 0.295 176.873 176.600 -0.037 0.000 1.035 325 K CA -0.233 56.007 56.287 -0.079 0.000 0.973 325 K CB 0.907 33.395 32.500 -0.020 0.000 0.957 325 K HN 0.590 nan 8.250 nan 0.000 0.474 326 R N 1.615 122.106 120.500 -0.016 0.000 2.876 326 R HA 0.292 4.634 4.340 0.004 0.000 0.096 326 R C 0.618 176.934 176.300 0.028 0.000 0.685 326 R CA -0.653 55.447 56.100 -0.000 0.000 0.490 326 R CB -0.213 30.081 30.300 -0.011 0.000 0.464 326 R HN 0.276 nan 8.270 nan 0.000 0.332 327 K N 1.014 121.436 120.400 0.036 0.000 2.399 327 K HA 0.110 4.432 4.320 0.004 0.000 0.196 327 K C 1.674 178.310 176.600 0.060 0.000 1.103 327 K CA 0.999 57.315 56.287 0.048 0.000 0.986 327 K CB -0.036 32.489 32.500 0.042 0.000 0.952 327 K HN 0.640 nan 8.250 nan 0.000 0.541 328 T N 0.184 114.776 114.554 0.062 0.000 3.051 328 T HA -0.054 4.299 4.350 0.004 0.000 0.269 328 T C 0.920 175.662 174.700 0.070 0.000 1.127 328 T CA 0.554 62.692 62.100 0.063 0.000 1.107 328 T CB -0.719 68.187 68.868 0.063 0.000 0.898 328 T HN 0.182 nan 8.240 nan 0.000 0.517 329 T N 0.462 115.078 114.554 0.103 0.000 2.794 329 T HA 0.747 5.100 4.350 0.004 0.000 0.280 329 T C -0.812 173.967 174.700 0.132 0.000 0.987 329 T CA -0.956 61.231 62.100 0.145 0.000 0.993 329 T CB 1.996 71.047 68.868 0.305 0.000 0.939 329 T HN 0.135 nan 8.240 nan 0.000 0.449 330 L N 1.060 122.368 121.223 0.141 0.000 2.765 330 L HA 0.818 5.160 4.340 0.004 0.000 0.263 330 L C -0.715 176.242 176.870 0.144 0.000 1.068 330 L CA -0.759 54.144 54.840 0.105 0.000 0.903 330 L CB 1.600 43.706 42.059 0.079 0.000 1.512 330 L HN 1.026 nan 8.230 nan 0.000 0.404 331 A N 1.366 124.192 122.820 0.009 0.000 2.286 331 A HA 0.719 5.042 4.320 0.004 0.000 0.286 331 A C -2.166 175.322 177.584 -0.161 0.000 1.097 331 A CA -0.948 51.001 52.037 -0.145 0.000 0.821 331 A CB 0.033 18.956 19.000 -0.128 0.000 1.076 331 A HN 0.586 nan 8.150 nan 0.000 0.490 332 P HA 0.017 nan 4.420 nan 0.000 0.253 332 P C -0.408 176.836 177.300 -0.093 0.000 1.508 332 P CA 0.145 63.149 63.100 -0.159 0.000 0.883 332 P CB -0.815 30.760 31.700 -0.208 0.000 1.519 333 N N 0.208 118.858 118.700 -0.084 0.000 2.581 333 N HA 0.016 4.758 4.740 0.004 0.000 0.230 333 N C -0.266 175.227 175.510 -0.029 0.000 1.310 333 N CA -0.083 52.935 53.050 -0.053 0.000 0.886 333 N CB -0.454 38.005 38.487 -0.048 0.000 1.205 333 N HN 0.097 nan 8.380 nan 0.000 0.488 334 T N 1.055 115.596 114.554 -0.023 0.000 2.792 334 T HA -0.096 4.256 4.350 0.004 0.000 0.286 334 T C 0.626 175.321 174.700 -0.009 0.000 0.970 334 T CA -0.056 62.039 62.100 -0.007 0.000 1.187 334 T CB 0.553 69.422 68.868 0.000 0.000 0.915 334 T HN 0.169 nan 8.240 nan 0.000 0.529 335 Q N 3.204 123.001 119.800 -0.005 0.000 2.256 335 Q HA -0.012 4.331 4.340 0.004 0.000 0.281 335 Q C 1.188 177.186 176.000 -0.004 0.000 1.162 335 Q CA 0.286 56.086 55.803 -0.005 0.000 0.943 335 Q CB 0.069 28.805 28.738 -0.003 0.000 1.195 335 Q HN 0.815 nan 8.270 nan 0.000 0.403 336 T N 0.440 114.991 114.554 -0.006 0.000 3.228 336 T HA 0.002 4.354 4.350 0.004 0.000 0.261 336 T C 1.646 176.344 174.700 -0.003 0.000 1.171 336 T CA 0.433 62.530 62.100 -0.005 0.000 1.056 336 T CB -0.022 68.843 68.868 -0.006 0.000 0.938 336 T HN 0.529 nan 8.240 nan 0.000 0.539 337 A N 2.253 125.071 122.820 -0.003 0.000 1.894 337 A HA -0.198 4.124 4.320 0.004 0.000 0.220 337 A C 1.777 179.361 177.584 -0.001 0.000 1.237 337 A CA 1.704 53.740 52.037 -0.002 0.000 0.660 337 A CB -1.487 17.512 19.000 -0.001 0.000 0.835 337 A HN 0.572 nan 8.150 nan 0.000 0.461 338 S N 0.916 116.616 115.700 -0.000 0.000 3.290 338 S HA -0.091 4.381 4.470 0.004 0.000 0.236 338 S C -1.759 172.842 174.600 0.000 0.000 0.622 338 S CA 0.732 58.932 58.200 0.001 0.000 1.360 338 S CB -1.466 61.734 63.200 0.001 0.000 0.818 338 S HN 0.608 nan 8.310 nan 0.000 0.366 339 P HA 0.089 nan 4.420 nan 0.000 0.282 339 P C 1.089 178.389 177.300 0.000 0.000 1.286 339 P CA -0.760 62.340 63.100 0.000 0.000 0.777 339 P CB 0.402 32.102 31.700 0.000 0.000 1.184 340 R N -0.024 120.476 120.500 0.000 0.000 2.366 340 R HA 0.045 4.387 4.340 0.004 0.000 0.201 340 R C 1.055 177.356 176.300 0.001 0.000 1.057 340 R CA 1.069 57.169 56.100 0.001 0.000 1.086 340 R CB -1.317 28.983 30.300 0.000 0.000 0.914 340 R HN 0.349 nan 8.270 nan 0.000 0.476 341 A N 1.397 124.218 122.820 0.001 0.000 2.067 341 A HA 0.068 4.390 4.320 0.004 0.000 0.217 341 A C 2.229 179.814 177.584 0.002 0.000 1.156 341 A CA 0.254 52.292 52.037 0.002 0.000 0.683 341 A CB -0.181 18.820 19.000 0.002 0.000 0.808 341 A HN 0.317 nan 8.150 nan 0.000 0.455 342 L N -0.611 120.613 121.223 0.002 0.000 2.012 342 L HA -0.259 4.083 4.340 0.004 0.000 0.210 342 L C 3.139 180.010 176.870 0.002 0.000 1.073 342 L CA 1.355 56.196 54.840 0.002 0.000 0.748 342 L CB -0.835 41.225 42.059 0.002 0.000 0.891 342 L HN 0.444 nan 8.230 nan 0.000 0.431 343 A N 0.399 123.220 122.820 0.002 0.000 1.873 343 A HA -0.271 4.051 4.320 0.004 0.000 0.218 343 A C 1.921 179.506 177.584 0.002 0.000 1.193 343 A CA 2.272 54.310 52.037 0.002 0.000 0.629 343 A CB -0.734 18.267 19.000 0.001 0.000 0.826 343 A HN 0.432 nan 8.150 nan 0.000 0.447 344 D N 0.149 120.550 120.400 0.002 0.000 2.123 344 D HA -0.099 4.543 4.640 0.004 0.000 0.196 344 D C 2.245 178.546 176.300 0.002 0.000 0.992 344 D CA 1.692 55.693 54.000 0.002 0.000 0.833 344 D CB -0.563 40.238 40.800 0.002 0.000 0.954 344 D HN 0.447 nan 8.370 nan 0.000 0.455 345 S N 0.393 116.095 115.700 0.003 0.000 2.402 345 S HA -0.007 4.465 4.470 0.004 0.000 0.229 345 S C 2.193 176.795 174.600 0.003 0.000 1.021 345 S CA 0.290 58.492 58.200 0.003 0.000 0.974 345 S CB -0.057 63.145 63.200 0.003 0.000 0.800 345 S HN 0.252 nan 8.310 nan 0.000 0.484 346 L N 0.265 121.489 121.223 0.003 0.000 2.027 346 L HA -0.089 4.253 4.340 0.004 0.000 0.206 346 L C 2.561 179.432 176.870 0.003 0.000 1.074 346 L CA 1.082 55.924 54.840 0.003 0.000 0.745 346 L CB -0.557 41.503 42.059 0.003 0.000 0.898 346 L HN 0.324 nan 8.230 nan 0.000 0.433 347 M N 0.190 119.792 119.600 0.003 0.000 2.151 347 M HA -0.322 4.161 4.480 0.004 0.000 0.256 347 M C 2.260 178.562 176.300 0.003 0.000 1.072 347 M CA 2.057 57.358 55.300 0.002 0.000 1.090 347 M CB -0.524 32.077 32.600 0.002 0.000 1.294 347 M HN 0.094 nan 8.290 nan 0.000 0.415 348 Q N -0.852 118.950 119.800 0.003 0.000 2.135 348 Q HA -0.135 4.207 4.340 0.004 0.000 0.204 348 Q C 2.092 178.094 176.000 0.003 0.000 0.981 348 Q CA 1.563 57.367 55.803 0.003 0.000 0.856 348 Q CB -0.276 28.463 28.738 0.003 0.000 0.902 348 Q HN 0.517 nan 8.270 nan 0.000 0.425 349 L N -0.568 120.657 121.223 0.004 0.000 2.141 349 L HA -0.152 4.191 4.340 0.004 0.000 0.209 349 L C 2.211 179.083 176.870 0.004 0.000 1.094 349 L CA 0.721 55.564 54.840 0.004 0.000 0.763 349 L CB -0.364 41.698 42.059 0.005 0.000 0.908 349 L HN 0.266 nan 8.230 nan 0.000 0.437 350 A N 0.103 122.925 122.820 0.003 0.000 1.855 350 A HA -0.192 4.130 4.320 0.004 0.000 0.215 350 A C 2.328 179.914 177.584 0.003 0.000 1.191 350 A CA 1.278 53.316 52.037 0.003 0.000 0.613 350 A CB -0.431 18.571 19.000 0.003 0.000 0.829 350 A HN 0.277 nan 8.150 nan 0.000 0.442 351 R N -0.897 119.604 120.500 0.003 0.000 2.094 351 R HA -0.172 4.170 4.340 0.004 0.000 0.239 351 R C 2.455 178.757 176.300 0.003 0.000 1.137 351 R CA 1.579 57.680 56.100 0.003 0.000 0.943 351 R CB -0.416 29.885 30.300 0.002 0.000 0.850 351 R HN 0.488 nan 8.270 nan 0.000 0.433 352 Q N 0.354 120.156 119.800 0.003 0.000 2.096 352 Q HA -0.164 4.179 4.340 0.004 0.000 0.208 352 Q C 2.302 178.304 176.000 0.003 0.000 0.993 352 Q CA 1.473 57.278 55.803 0.003 0.000 0.862 352 Q CB -0.717 28.023 28.738 0.004 0.000 0.915 352 Q HN 0.210 nan 8.270 nan 0.000 0.416 353 V N 1.255 121.171 119.914 0.004 0.000 2.255 353 V HA -0.271 3.851 4.120 0.004 0.000 0.247 353 V C 2.428 178.524 176.094 0.003 0.000 1.051 353 V CA 2.189 64.491 62.300 0.004 0.000 1.018 353 V CB -0.949 30.876 31.823 0.004 0.000 0.641 353 V HN 0.531 nan 8.190 nan 0.000 0.445 354 S N -0.027 115.675 115.700 0.003 0.000 2.447 354 S HA -0.191 4.281 4.470 0.004 0.000 0.233 354 S C 2.043 176.644 174.600 0.002 0.000 1.006 354 S CA 0.978 59.180 58.200 0.003 0.000 0.957 354 S CB -0.519 62.683 63.200 0.002 0.000 0.773 354 S HN 0.508 nan 8.310 nan 0.000 0.507 355 R N 0.466 120.967 120.500 0.003 0.000 2.120 355 R HA 0.089 4.432 4.340 0.004 0.000 0.234 355 R C 0.306 176.608 176.300 0.002 0.000 1.123 355 R CA 0.885 56.987 56.100 0.002 0.000 0.975 355 R CB -0.462 29.840 30.300 0.002 0.000 0.866 355 R HN 0.452 nan 8.270 nan 0.000 0.446 356 L N 1.982 123.207 121.223 0.002 0.000 2.956 356 L HA 0.188 4.530 4.340 0.004 0.000 0.232 356 L C -0.740 176.131 176.870 0.002 0.000 1.291 356 L CA 0.156 54.997 54.840 0.002 0.000 1.122 356 L CB -0.060 42.001 42.059 0.003 0.000 1.461 356 L HN 0.242 nan 8.230 nan 0.000 0.470 357 E N 0.000 120.201 120.200 0.002 0.000 2.725 357 E HA 0.000 4.352 4.350 0.004 0.000 0.291 357 E CA 0.000 56.401 56.400 0.002 0.000 0.976 357 E CB 0.000 29.701 29.700 0.002 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440