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 2inv_1_A DATA FIRST_RESID 52 DATA SEQUENCE PNTYDVTTWR IKAHPEVTAQ SDIGAVINDI IADIKQRQTS PDARPGAAII DATA SEQUENCE IPPGDYDLHT QVVVDVSYLT IAGFGHGFFS RSILDNSNPT GWQNLQPGAS DATA SEQUENCE HIRVLTSPSA PQAFLVKRAG DPRLSGIVFR DFCLDGVGFT PGKNSYHNGK DATA SEQUENCE TGIEVASDND SFHITGXGFV YLEHALIVRG ADALRVNDNX IAECGNCVEL DATA SEQUENCE TGAGQATIVS GNHXGAGPDG VTLLAENHEG LLVTGNNLFP RGRSLIEFTG DATA SEQUENCE CNRCSVTSNR LQGFYPGXLR LLNGCKENLI TANHIRRTNE GYPPFIGRGN DATA SEQUENCE GLDDLYGVVH IAGDNNLISD NLFAYNVPPA NIAPAGAQPT QILIAGGDAN DATA SEQUENCE VVALNHVVSD VASQHVVLDA STTHSKVLDS GTASQITSYS SDTAIRPTP 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 52 P HA 0.000 nan 4.420 nan 0.000 0.216 52 P C 0.000 177.236 177.300 -0.107 0.000 1.155 52 P CA 0.000 63.047 63.100 -0.088 0.000 0.800 52 P CB 0.000 31.668 31.700 -0.053 0.000 0.726 53 N N -0.730 117.877 118.700 -0.156 0.000 2.708 53 N HA -0.113 4.626 4.740 -0.001 0.000 0.251 53 N C -0.681 174.763 175.510 -0.110 0.000 1.123 53 N CA 1.443 54.421 53.050 -0.121 0.000 0.739 53 N CB -0.640 37.831 38.487 -0.025 0.000 1.113 53 N HN 0.450 nan 8.380 nan 0.000 0.561 54 T N 0.262 114.684 114.554 -0.221 0.000 2.812 54 T HA 0.529 4.879 4.350 -0.001 0.000 0.282 54 T C -0.874 173.711 174.700 -0.192 0.000 0.990 54 T CA -0.361 61.677 62.100 -0.103 0.000 0.960 54 T CB 0.968 69.799 68.868 -0.063 0.000 0.948 54 T HN 0.066 nan 8.240 nan 0.000 0.438 55 Y N 0.900 121.148 120.300 -0.087 0.000 2.562 55 Y HA 0.587 5.136 4.550 -0.001 0.000 0.343 55 Y C 0.048 175.919 175.900 -0.048 0.000 1.025 55 Y CA -1.477 56.574 58.100 -0.082 0.000 1.082 55 Y CB 1.372 39.689 38.460 -0.237 0.000 1.264 55 Y HN 0.484 nan 8.280 nan 0.000 0.478 56 D N 0.907 121.414 120.400 0.179 0.000 2.492 56 D HA 0.218 4.857 4.640 -0.001 0.000 0.248 56 D C 0.827 177.195 176.300 0.113 0.000 1.101 56 D CA -0.387 53.685 54.000 0.119 0.000 0.840 56 D CB 2.258 43.135 40.800 0.128 0.000 1.209 56 D HN 0.480 nan 8.370 nan 0.000 0.524 57 V N 2.292 122.213 119.914 0.012 0.000 2.568 57 V HA -0.203 3.916 4.120 -0.001 0.000 0.253 57 V C 2.012 178.145 176.094 0.065 0.000 1.072 57 V CA 2.386 64.674 62.300 -0.021 0.000 1.084 57 V CB -1.705 29.996 31.823 -0.204 0.000 0.676 57 V HN 0.716 nan 8.190 nan 0.000 0.469 58 T N -1.002 113.603 114.554 0.085 0.000 3.023 58 T HA -0.097 4.253 4.350 -0.001 0.000 0.266 58 T C 1.668 176.453 174.700 0.142 0.000 1.093 58 T CA 1.539 63.718 62.100 0.132 0.000 1.129 58 T CB -0.690 68.270 68.868 0.153 0.000 0.899 58 T HN 0.766 nan 8.240 nan 0.000 0.491 59 T N -3.454 111.201 114.554 0.167 0.000 3.044 59 T HA 0.131 4.480 4.350 -0.001 0.000 0.250 59 T C 0.492 175.311 174.700 0.199 0.000 1.081 59 T CA -0.713 61.481 62.100 0.156 0.000 1.040 59 T CB -0.331 68.625 68.868 0.147 0.000 0.962 59 T HN 0.559 nan 8.240 nan 0.000 0.506 60 W N 5.412 126.751 121.300 0.064 0.000 2.387 60 W HA 0.400 5.060 4.660 -0.000 0.000 0.310 60 W C -0.221 176.331 176.519 0.055 0.000 1.181 60 W CA -1.152 56.239 57.345 0.077 0.000 1.333 60 W CB 0.533 30.061 29.460 0.114 0.000 1.286 60 W HN 0.251 nan 8.180 nan 0.000 0.455 61 R N 5.249 125.475 120.500 -0.456 0.000 2.410 61 R HA 0.549 4.889 4.340 -0.001 0.000 0.288 61 R C -0.573 175.452 176.300 -0.458 0.000 1.051 61 R CA -0.643 55.262 56.100 -0.326 0.000 1.021 61 R CB 1.215 31.377 30.300 -0.231 0.000 1.032 61 R HN 0.461 nan 8.270 nan 0.000 0.481 62 I N 3.974 124.467 120.570 -0.129 0.000 2.291 62 I HA 0.058 4.227 4.170 -0.001 0.000 0.292 62 I C 1.075 177.180 176.117 -0.019 0.000 1.064 62 I CA -0.351 60.946 61.300 -0.005 0.000 1.269 62 I CB 1.250 39.327 38.000 0.129 0.000 1.418 62 I HN 0.772 nan 8.210 nan 0.000 0.485 63 K N 4.313 124.671 120.400 -0.071 0.000 2.052 63 K HA -0.275 4.045 4.320 -0.001 0.000 0.215 63 K C 1.991 178.569 176.600 -0.036 0.000 1.053 63 K CA 2.158 58.405 56.287 -0.066 0.000 0.934 63 K CB -0.109 32.356 32.500 -0.059 0.000 0.717 63 K HN 0.798 nan 8.250 nan 0.000 0.450 64 A N 0.591 123.423 122.820 0.021 0.000 2.067 64 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 64 A C 0.171 177.531 177.584 -0.373 0.000 1.156 64 A CA 0.972 52.945 52.037 -0.107 0.000 0.683 64 A CB -0.171 18.830 19.000 0.001 0.000 0.808 64 A HN 0.327 nan 8.150 nan 0.000 0.455 65 H N -1.773 117.291 119.070 -0.010 0.000 2.448 65 H HA 0.331 4.886 4.556 -0.001 0.000 0.237 65 H C -2.283 173.037 175.328 -0.012 0.000 1.391 65 H CA -1.808 54.236 56.048 -0.007 0.000 1.477 65 H CB 0.547 30.312 29.762 0.005 0.000 1.520 65 H HN 0.121 nan 8.280 nan 0.000 0.502 66 P HA -0.181 nan 4.420 nan 0.000 0.217 66 P C 0.755 178.068 177.300 0.022 0.000 1.148 66 P CA 1.440 64.542 63.100 0.003 0.000 0.828 66 P CB 0.419 32.102 31.700 -0.028 0.000 0.783 67 E N -1.467 118.755 120.200 0.036 0.000 2.444 67 E HA 0.077 4.427 4.350 -0.001 0.000 0.191 67 E C -0.374 176.258 176.600 0.053 0.000 1.041 67 E CA -0.150 56.272 56.400 0.036 0.000 0.883 67 E CB 0.235 29.950 29.700 0.024 0.000 1.024 67 E HN -0.036 nan 8.360 nan 0.000 0.470 68 V N 2.846 122.804 119.914 0.073 0.000 2.267 68 V HA 0.055 4.174 4.120 -0.001 0.000 0.254 68 V C 0.631 176.772 176.094 0.078 0.000 1.144 68 V CA -0.179 62.163 62.300 0.071 0.000 0.992 68 V CB -0.112 31.755 31.823 0.072 0.000 1.199 68 V HN 0.237 nan 8.190 nan 0.000 0.493 69 T N 1.544 116.146 114.554 0.080 0.000 2.849 69 T HA 0.571 4.921 4.350 -0.001 0.000 0.276 69 T C 1.504 176.272 174.700 0.115 0.000 0.971 69 T CA 0.037 62.196 62.100 0.099 0.000 0.949 69 T CB 1.671 70.598 68.868 0.099 0.000 1.093 69 T HN 0.434 nan 8.240 nan 0.000 0.545 70 A N -0.217 122.683 122.820 0.134 0.000 1.972 70 A HA -0.076 4.243 4.320 -0.001 0.000 0.219 70 A C 2.443 180.196 177.584 0.282 0.000 1.169 70 A CA 1.391 53.505 52.037 0.128 0.000 0.635 70 A CB -1.041 17.967 19.000 0.014 0.000 0.810 70 A HN 0.893 nan 8.150 nan 0.000 0.446 71 Q N -0.094 119.874 119.800 0.281 0.000 2.079 71 Q HA -0.143 4.197 4.340 -0.001 0.000 0.200 71 Q C 2.509 178.590 176.000 0.135 0.000 0.974 71 Q CA 1.952 57.876 55.803 0.201 0.000 0.840 71 Q CB -0.216 28.583 28.738 0.101 0.000 0.898 71 Q HN 0.856 nan 8.270 nan 0.000 0.430 72 S N -0.572 115.201 115.700 0.121 0.000 2.406 72 S HA -0.051 4.419 4.470 -0.001 0.000 0.224 72 S C 0.562 175.263 174.600 0.168 0.000 1.030 72 S CA 0.706 58.977 58.200 0.119 0.000 0.958 72 S CB 0.430 63.676 63.200 0.075 0.000 0.811 72 S HN 0.158 nan 8.310 nan 0.000 0.489 73 D N -0.215 120.263 120.400 0.129 0.000 2.584 73 D HA 0.261 4.901 4.640 -0.001 0.000 0.238 73 D C 0.086 176.421 176.300 0.059 0.000 1.302 73 D CA -0.264 53.806 54.000 0.117 0.000 0.884 73 D CB 0.251 41.106 40.800 0.093 0.000 1.456 73 D HN 0.245 nan 8.370 nan 0.000 0.528 74 I N 1.227 121.823 120.570 0.044 0.000 2.567 74 I HA -0.039 4.130 4.170 -0.001 0.000 0.257 74 I C 1.810 177.894 176.117 -0.056 0.000 1.184 74 I CA 1.473 62.762 61.300 -0.019 0.000 1.451 74 I CB 0.345 38.304 38.000 -0.069 0.000 1.089 74 I HN 0.396 nan 8.210 nan 0.000 0.441 75 G N 0.238 108.999 108.800 -0.064 0.000 2.404 75 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.215 75 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.215 75 G C 1.746 176.601 174.900 -0.074 0.000 1.174 75 G CA 0.657 45.686 45.100 -0.118 0.000 0.780 75 G HN 0.531 nan 8.290 nan 0.000 0.537 76 A N 0.149 122.949 122.820 -0.033 0.000 1.902 76 A HA 0.056 4.375 4.320 -0.001 0.000 0.217 76 A C 2.618 180.205 177.584 0.004 0.000 1.181 76 A CA 1.925 53.947 52.037 -0.024 0.000 0.623 76 A CB -0.654 18.332 19.000 -0.024 0.000 0.818 76 A HN 0.270 nan 8.150 nan 0.000 0.443 77 V N 0.350 120.278 119.914 0.023 0.000 2.261 77 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 77 V C 2.428 178.501 176.094 -0.036 0.000 1.047 77 V CA 2.148 64.489 62.300 0.069 0.000 1.015 77 V CB -0.757 31.107 31.823 0.068 0.000 0.642 77 V HN 0.583 nan 8.190 nan 0.000 0.446 78 I N 0.355 120.869 120.570 -0.093 0.000 2.286 78 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 78 I C 2.389 178.415 176.117 -0.151 0.000 1.115 78 I CA 1.316 62.522 61.300 -0.157 0.000 1.392 78 I CB -0.584 37.377 38.000 -0.066 0.000 1.065 78 I HN 0.346 nan 8.210 nan 0.000 0.418 79 N N 0.813 119.462 118.700 -0.086 0.000 2.166 79 N HA -0.226 4.514 4.740 -0.001 0.000 0.186 79 N C 1.521 176.996 175.510 -0.057 0.000 1.019 79 N CA 1.615 54.627 53.050 -0.065 0.000 0.856 79 N CB -0.384 38.078 38.487 -0.042 0.000 0.993 79 N HN 0.385 nan 8.380 nan 0.000 0.426 80 D N 0.326 120.718 120.400 -0.013 0.000 2.183 80 D HA 0.053 4.692 4.640 -0.001 0.000 0.203 80 D C 2.033 178.308 176.300 -0.041 0.000 0.969 80 D CA 0.418 54.471 54.000 0.089 0.000 0.842 80 D CB 0.093 41.069 40.800 0.295 0.000 0.957 80 D HN 0.191 nan 8.370 nan 0.000 0.484 81 I N 0.124 120.463 120.570 -0.384 0.000 2.202 81 I HA -0.201 3.969 4.170 -0.001 0.000 0.242 81 I C 2.182 177.927 176.117 -0.620 0.000 1.091 81 I CA 0.724 61.459 61.300 -0.941 0.000 1.368 81 I CB -0.150 37.062 38.000 -1.314 0.000 1.058 81 I HN 0.083 nan 8.210 nan 0.000 0.410 82 I N 0.817 121.157 120.570 -0.383 0.000 2.335 82 I HA -0.294 3.876 4.170 -0.001 0.000 0.251 82 I C 2.712 178.754 176.117 -0.126 0.000 1.129 82 I CA 1.242 62.404 61.300 -0.230 0.000 1.402 82 I CB -0.459 37.460 38.000 -0.135 0.000 1.069 82 I HN 0.199 nan 8.210 nan 0.000 0.424 83 A N 0.232 123.002 122.820 -0.083 0.000 1.969 83 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 83 A C 1.979 179.582 177.584 0.031 0.000 1.169 83 A CA 2.169 54.204 52.037 -0.003 0.000 0.635 83 A CB -0.585 18.437 19.000 0.037 0.000 0.810 83 A HN 0.458 nan 8.150 nan 0.000 0.445 84 D N -0.465 119.949 120.400 0.024 0.000 2.194 84 D HA -0.039 4.601 4.640 -0.001 0.000 0.204 84 D C 1.700 178.058 176.300 0.096 0.000 0.964 84 D CA 0.871 54.945 54.000 0.123 0.000 0.846 84 D CB -0.151 40.786 40.800 0.229 0.000 0.962 84 D HN 0.482 nan 8.370 nan 0.000 0.490 85 I N 0.271 120.852 120.570 0.018 0.000 2.202 85 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 85 I C 2.268 178.409 176.117 0.040 0.000 1.091 85 I CA 0.958 62.286 61.300 0.047 0.000 1.368 85 I CB -0.189 37.800 38.000 -0.019 0.000 1.058 85 I HN -0.015 nan 8.210 nan 0.000 0.410 86 K N 0.200 120.611 120.400 0.019 0.000 2.148 86 K HA -0.231 4.089 4.320 -0.001 0.000 0.204 86 K C 2.104 178.728 176.600 0.040 0.000 1.050 86 K CA 1.116 57.418 56.287 0.025 0.000 0.942 86 K CB -0.155 32.353 32.500 0.015 0.000 0.724 86 K HN 0.166 nan 8.250 nan 0.000 0.446 87 Q N 1.496 121.329 119.800 0.054 0.000 2.014 87 Q HA -0.160 4.179 4.340 -0.001 0.000 0.207 87 Q C 1.910 177.947 176.000 0.062 0.000 0.993 87 Q CA 1.836 57.678 55.803 0.066 0.000 0.850 87 Q CB 0.037 28.832 28.738 0.096 0.000 0.916 87 Q HN 0.194 nan 8.270 nan 0.000 0.417 88 R N -0.523 120.019 120.500 0.071 0.000 2.073 88 R HA 0.009 4.348 4.340 -0.001 0.000 0.229 88 R C 0.493 176.822 176.300 0.049 0.000 1.120 88 R CA 1.029 57.167 56.100 0.062 0.000 0.967 88 R CB 0.046 30.390 30.300 0.074 0.000 0.862 88 R HN 0.363 nan 8.270 nan 0.000 0.436 89 Q N 0.903 120.731 119.800 0.048 0.000 2.569 89 Q HA 0.094 4.433 4.340 -0.001 0.000 0.226 89 Q C 0.227 176.250 176.000 0.038 0.000 1.136 89 Q CA -0.126 55.702 55.803 0.043 0.000 0.947 89 Q CB 1.351 30.118 28.738 0.048 0.000 1.218 89 Q HN 0.247 nan 8.270 nan 0.000 0.547 90 T N -3.245 111.329 114.554 0.035 0.000 3.057 90 T HA 0.075 4.424 4.350 -0.001 0.000 0.254 90 T C 0.896 175.614 174.700 0.029 0.000 1.094 90 T CA -0.190 61.928 62.100 0.031 0.000 1.088 90 T CB 0.375 69.260 68.868 0.029 0.000 0.934 90 T HN 0.140 nan 8.240 nan 0.000 0.497 91 S N 3.432 119.151 115.700 0.031 0.000 2.465 91 S HA 0.330 4.799 4.470 -0.001 0.000 0.279 91 S C -1.865 172.756 174.600 0.037 0.000 1.201 91 S CA -1.081 57.137 58.200 0.030 0.000 1.053 91 S CB 1.484 64.700 63.200 0.027 0.000 0.953 91 S HN 0.133 nan 8.310 nan 0.000 0.488 92 P HA -0.094 nan 4.420 nan 0.000 0.223 92 P C 0.557 177.888 177.300 0.051 0.000 1.144 92 P CA 0.946 64.072 63.100 0.043 0.000 0.783 92 P CB 0.191 31.912 31.700 0.035 0.000 0.771 93 D N -1.671 118.753 120.400 0.040 0.000 2.360 93 D HA 0.149 4.788 4.640 -0.001 0.000 0.210 93 D C 0.332 176.652 176.300 0.033 0.000 1.047 93 D CA 0.053 54.075 54.000 0.036 0.000 0.854 93 D CB -0.005 40.810 40.800 0.025 0.000 0.936 93 D HN -0.083 nan 8.370 nan 0.000 0.514 94 A N 0.559 123.402 122.820 0.038 0.000 3.317 94 A HA 0.457 4.776 4.320 -0.001 0.000 0.307 94 A C -0.148 177.466 177.584 0.049 0.000 1.003 94 A CA -0.558 51.499 52.037 0.034 0.000 0.882 94 A CB 0.173 19.188 19.000 0.025 0.000 1.136 94 A HN 0.035 nan 8.150 nan 0.000 0.488 95 R N 1.071 121.617 120.500 0.076 0.000 2.653 95 R HA 0.209 4.549 4.340 -0.001 0.000 0.269 95 R C -2.268 174.136 176.300 0.173 0.000 1.603 95 R CA -1.246 54.919 56.100 0.108 0.000 1.671 95 R CB 0.980 31.343 30.300 0.106 0.000 1.300 95 R HN 0.263 nan 8.270 nan 0.000 0.668 96 P HA -0.120 nan 4.420 nan 0.000 0.218 96 P C 0.720 178.088 177.300 0.113 0.000 1.148 96 P CA 1.459 64.577 63.100 0.030 0.000 0.822 96 P CB 0.386 32.083 31.700 -0.005 0.000 0.784 97 G N -1.425 107.451 108.800 0.128 0.000 2.482 97 G HA2 0.257 4.217 3.960 -0.001 0.000 0.214 97 G HA3 0.257 4.217 3.960 -0.001 0.000 0.214 97 G C -0.749 174.187 174.900 0.059 0.000 1.271 97 G CA -0.391 44.775 45.100 0.111 0.000 0.944 97 G HN 0.503 nan 8.290 nan 0.000 0.568 98 A N -1.837 121.003 122.820 0.034 0.000 2.511 98 A HA 1.073 5.392 4.320 -0.001 0.000 0.293 98 A C -0.378 177.205 177.584 -0.001 0.000 1.098 98 A CA 0.621 52.685 52.037 0.044 0.000 0.643 98 A CB 0.548 19.635 19.000 0.145 0.000 1.302 98 A HN 2.697 nan 8.150 nan 0.000 0.446 99 A N 0.189 123.024 122.820 0.026 0.000 2.356 99 A HA 0.749 5.069 4.320 -0.001 0.000 0.310 99 A C -0.985 176.606 177.584 0.012 0.000 1.075 99 A CA -0.288 51.733 52.037 -0.026 0.000 0.746 99 A CB 0.511 19.489 19.000 -0.037 0.000 1.221 99 A HN 0.794 nan 8.150 nan 0.000 0.443 100 I N 4.129 124.649 120.570 -0.084 0.000 2.354 100 I HA 0.281 4.450 4.170 -0.001 0.000 0.286 100 I C -0.723 175.320 176.117 -0.123 0.000 1.007 100 I CA -0.571 60.664 61.300 -0.108 0.000 1.167 100 I CB 1.263 39.128 38.000 -0.226 0.000 1.320 100 I HN 0.420 nan 8.210 nan 0.000 0.458 101 I N 7.283 127.815 120.570 -0.063 0.000 2.365 101 I HA 0.347 4.516 4.170 -0.001 0.000 0.291 101 I C 0.155 176.245 176.117 -0.046 0.000 1.004 101 I CA -0.483 60.785 61.300 -0.052 0.000 1.311 101 I CB 1.364 39.379 38.000 0.025 0.000 1.401 101 I HN 0.435 nan 8.210 nan 0.000 0.491 102 I N 7.918 128.459 120.570 -0.047 0.000 2.428 102 I HA 0.267 4.437 4.170 -0.001 0.000 0.279 102 I C -2.258 173.985 176.117 0.210 0.000 1.040 102 I CA -1.749 59.511 61.300 -0.067 0.000 1.171 102 I CB 1.343 39.194 38.000 -0.247 0.000 1.312 102 I HN 0.202 nan 8.210 nan 0.000 0.470 103 P HA 0.031 nan 4.420 nan 0.000 0.269 103 P C -2.419 175.074 177.300 0.321 0.000 1.211 103 P CA -0.701 62.578 63.100 0.299 0.000 0.781 103 P CB -0.132 31.690 31.700 0.203 0.000 0.877 104 P HA 0.206 nan 4.420 nan 0.000 0.261 104 P C 0.092 177.444 177.300 0.087 0.000 1.183 104 P CA 1.240 64.400 63.100 0.100 0.000 0.761 104 P CB 0.088 31.754 31.700 -0.056 0.000 0.785 105 G N 2.076 110.901 108.800 0.041 0.000 2.316 105 G HA2 0.175 4.135 3.960 -0.001 0.000 0.296 105 G HA3 0.175 4.135 3.960 -0.001 0.000 0.296 105 G C -2.083 172.508 174.900 -0.514 0.000 1.399 105 G CA -0.676 44.239 45.100 -0.308 0.000 0.833 105 G HN 0.256 nan 8.290 nan 0.000 0.565 106 D N 0.599 120.635 120.400 -0.607 0.000 2.317 106 D HA 0.539 5.178 4.640 -0.001 0.000 0.234 106 D C -1.012 174.911 176.300 -0.629 0.000 1.112 106 D CA 0.463 54.229 54.000 -0.390 0.000 0.840 106 D CB 1.047 41.755 40.800 -0.153 0.000 1.078 106 D HN 0.262 nan 8.370 nan 0.000 0.486 107 Y N 0.623 120.875 120.300 -0.081 0.000 2.391 107 Y HA 0.259 4.809 4.550 -0.001 0.000 0.341 107 Y C 0.128 175.958 175.900 -0.117 0.000 0.965 107 Y CA -1.164 56.897 58.100 -0.066 0.000 1.067 107 Y CB 1.486 39.927 38.460 -0.031 0.000 1.199 107 Y HN 0.064 nan 8.280 nan 0.000 0.450 108 D N 2.981 123.419 120.400 0.063 0.000 2.225 108 D HA 0.333 4.972 4.640 -0.001 0.000 0.248 108 D C -1.024 175.262 176.300 -0.024 0.000 1.096 108 D CA -0.185 53.797 54.000 -0.031 0.000 0.863 108 D CB 1.720 42.521 40.800 0.001 0.000 1.156 108 D HN 0.505 nan 8.370 nan 0.000 0.450 109 L N 3.744 124.894 121.223 -0.123 0.000 2.318 109 L HA 0.258 4.598 4.340 -0.001 0.000 0.277 109 L C 0.618 177.383 176.870 -0.175 0.000 1.008 109 L CA -0.347 54.431 54.840 -0.103 0.000 0.846 109 L CB 0.738 42.733 42.059 -0.106 0.000 1.220 109 L HN 0.502 nan 8.230 nan 0.000 0.423 110 H N 1.683 120.732 119.070 -0.036 0.000 2.506 110 H HA 0.198 4.754 4.556 -0.001 0.000 0.289 110 H C -0.066 175.236 175.328 -0.044 0.000 1.009 110 H CA 0.220 56.251 56.048 -0.028 0.000 1.303 110 H CB 0.734 30.485 29.762 -0.019 0.000 1.453 110 H HN 0.441 nan 8.280 nan 0.000 0.526 111 T N 2.539 117.127 114.554 0.056 0.000 2.744 111 T HA 0.080 4.430 4.350 -0.001 0.000 0.291 111 T C 0.296 174.949 174.700 -0.079 0.000 0.957 111 T CA -0.414 61.680 62.100 -0.011 0.000 1.002 111 T CB 2.132 70.987 68.868 -0.022 0.000 0.919 111 T HN 0.240 nan 8.240 nan 0.000 0.468 112 Q N 3.198 122.954 119.800 -0.073 0.000 2.286 112 Q HA 0.133 4.472 4.340 -0.001 0.000 0.290 112 Q C -0.819 175.103 176.000 -0.129 0.000 1.049 112 Q CA -0.093 55.644 55.803 -0.110 0.000 0.923 112 Q CB 0.453 29.160 28.738 -0.052 0.000 1.183 112 Q HN 0.426 nan 8.270 nan 0.000 0.383 113 V N 5.358 125.135 119.914 -0.228 0.000 2.406 113 V HA 0.192 4.312 4.120 -0.001 0.000 0.272 113 V C -0.146 175.952 176.094 0.005 0.000 1.043 113 V CA -0.558 61.651 62.300 -0.152 0.000 0.915 113 V CB 1.446 33.100 31.823 -0.282 0.000 0.988 113 V HN 0.595 nan 8.190 nan 0.000 0.466 114 V N 6.379 126.313 119.914 0.032 0.000 2.333 114 V HA 0.298 4.417 4.120 -0.001 0.000 0.274 114 V C 0.017 176.166 176.094 0.091 0.000 1.028 114 V CA -0.446 61.897 62.300 0.070 0.000 0.851 114 V CB 1.676 33.522 31.823 0.038 0.000 1.000 114 V HN 0.622 nan 8.190 nan 0.000 0.456 115 V N 5.641 125.644 119.914 0.149 0.000 2.348 115 V HA 0.356 4.476 4.120 -0.001 0.000 0.270 115 V C 0.381 176.527 176.094 0.087 0.000 1.037 115 V CA -0.313 62.060 62.300 0.122 0.000 0.872 115 V CB 1.336 33.274 31.823 0.191 0.000 1.002 115 V HN 1.042 nan 8.190 nan 0.000 0.464 116 D N 3.543 123.965 120.400 0.037 0.000 2.650 116 D HA 0.111 4.751 4.640 -0.001 0.000 0.265 116 D C -0.246 176.050 176.300 -0.007 0.000 1.339 116 D CA -0.134 53.883 54.000 0.027 0.000 0.816 116 D CB 1.185 42.000 40.800 0.025 0.000 1.091 116 D HN 0.317 nan 8.370 nan 0.000 0.483 117 V N -0.112 119.780 119.914 -0.036 0.000 2.604 117 V HA 0.518 4.637 4.120 -0.001 0.000 0.305 117 V C -0.355 175.658 176.094 -0.134 0.000 1.043 117 V CA -0.430 61.830 62.300 -0.067 0.000 0.888 117 V CB 1.969 33.761 31.823 -0.051 0.000 0.995 117 V HN 0.156 nan 8.190 nan 0.000 0.429 118 S N 5.059 120.623 115.700 -0.227 0.000 2.576 118 S HA 0.464 4.934 4.470 -0.001 0.000 0.276 118 S C -0.595 173.740 174.600 -0.442 0.000 1.339 118 S CA 0.223 58.112 58.200 -0.518 0.000 1.039 118 S CB 0.030 62.649 63.200 -0.967 0.000 0.902 118 S HN 1.014 nan 8.310 nan 0.000 0.516 119 Y N -1.426 118.823 120.300 -0.085 0.000 3.929 119 Y HA -0.175 4.374 4.550 -0.001 0.000 0.225 119 Y C 0.073 175.884 175.900 -0.148 0.000 1.200 119 Y CA -0.171 57.866 58.100 -0.105 0.000 1.791 119 Y CB -2.193 36.235 38.460 -0.053 0.000 1.561 119 Y HN 0.456 nan 8.280 nan 0.000 0.657 120 L N 1.197 122.334 121.223 -0.143 0.000 2.305 120 L HA 0.462 4.802 4.340 -0.001 0.000 0.281 120 L C 0.293 176.981 176.870 -0.304 0.000 1.085 120 L CA 0.114 54.834 54.840 -0.200 0.000 0.813 120 L CB 1.331 43.242 42.059 -0.246 0.000 1.157 120 L HN 0.249 nan 8.230 nan 0.000 0.436 121 T N 6.357 120.765 114.554 -0.243 0.000 2.786 121 T HA 0.512 4.861 4.350 -0.001 0.000 0.283 121 T C -0.153 174.382 174.700 -0.276 0.000 0.992 121 T CA -0.217 61.724 62.100 -0.265 0.000 0.954 121 T CB 0.959 69.733 68.868 -0.156 0.000 0.934 121 T HN 0.366 nan 8.240 nan 0.000 0.440 122 I N 3.352 123.715 120.570 -0.345 0.000 2.382 122 I HA 0.653 4.823 4.170 -0.001 0.000 0.285 122 I C 0.071 176.130 176.117 -0.096 0.000 1.007 122 I CA -0.676 60.455 61.300 -0.281 0.000 1.142 122 I CB 1.161 38.924 38.000 -0.396 0.000 1.289 122 I HN 0.637 nan 8.210 nan 0.000 0.453 123 A N 4.502 127.256 122.820 -0.110 0.000 2.413 123 A HA 0.962 5.282 4.320 -0.001 0.000 0.307 123 A C -0.228 177.319 177.584 -0.061 0.000 1.087 123 A CA -0.443 51.580 52.037 -0.023 0.000 0.750 123 A CB 1.731 20.665 19.000 -0.111 0.000 1.296 123 A HN 0.723 nan 8.150 nan 0.000 0.423 124 G N -1.069 107.754 108.800 0.038 0.000 3.262 124 G HA2 0.574 4.534 3.960 -0.001 0.000 0.229 124 G HA3 0.574 4.534 3.960 -0.001 0.000 0.229 124 G C -0.755 174.087 174.900 -0.097 0.000 1.280 124 G CA -0.315 44.828 45.100 0.072 0.000 0.951 124 G HN 0.466 nan 8.290 nan 0.000 0.589 125 F N 0.198 120.222 119.950 0.123 0.000 2.706 125 F HA 0.534 5.061 4.527 -0.000 0.000 0.313 125 F C 1.052 176.919 175.800 0.111 0.000 1.096 125 F CA 0.064 58.123 58.000 0.099 0.000 1.219 125 F CB 1.436 40.484 39.000 0.079 0.000 1.051 125 F HN 0.703 nan 8.300 nan 0.000 0.568 126 G N -0.870 108.099 108.800 0.282 0.000 2.556 126 G HA2 0.193 4.153 3.960 -0.001 0.000 0.294 126 G HA3 0.193 4.153 3.960 -0.001 0.000 0.294 126 G C -0.154 174.872 174.900 0.210 0.000 1.516 126 G CA -0.572 44.671 45.100 0.238 0.000 0.824 126 G HN 0.147 nan 8.290 nan 0.000 0.535 127 H N 0.047 119.177 119.070 0.100 0.000 2.502 127 H HA 0.114 4.670 4.556 -0.001 0.000 0.283 127 H C 1.835 177.234 175.328 0.119 0.000 1.015 127 H CA 0.853 56.948 56.048 0.078 0.000 1.298 127 H CB -0.319 29.491 29.762 0.080 0.000 1.411 127 H HN 1.740 nan 8.280 nan 0.000 0.556 128 G N 1.643 110.170 108.800 -0.454 0.000 2.450 128 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.302 128 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.302 128 G C -0.134 174.659 174.900 -0.179 0.000 0.957 128 G CA 0.595 45.507 45.100 -0.314 0.000 1.005 128 G HN 0.594 nan 8.290 nan 0.000 0.514 129 F N -0.401 119.392 119.950 -0.261 0.000 2.496 129 F HA 0.618 5.145 4.527 -0.001 0.000 0.344 129 F C 0.165 176.015 175.800 0.084 0.000 1.155 129 F CA -0.523 57.490 58.000 0.022 0.000 1.302 129 F CB 0.493 39.589 39.000 0.161 0.000 1.159 129 F HN 0.200 nan 8.300 nan 0.000 0.595 130 F N 4.517 123.756 119.950 -1.185 0.000 2.623 130 F HA 0.243 4.770 4.527 -0.001 0.000 0.323 130 F C -0.960 174.220 175.800 -1.033 0.000 1.158 130 F CA -0.777 56.781 58.000 -0.737 0.000 1.030 130 F CB 1.213 39.948 39.000 -0.441 0.000 1.280 130 F HN 0.324 nan 8.300 nan 0.000 0.474 131 S N 5.996 121.124 115.700 -0.953 0.000 2.686 131 S HA 0.188 4.657 4.470 -0.001 0.000 0.324 131 S C 1.312 175.566 174.600 -0.577 0.000 1.172 131 S CA -0.112 57.781 58.200 -0.512 0.000 1.127 131 S CB -0.125 62.956 63.200 -0.198 0.000 1.338 131 S HN 0.864 nan 8.310 nan 0.000 0.547 132 R N 2.272 122.493 120.500 -0.464 0.000 2.148 132 R HA -0.047 4.293 4.340 -0.001 0.000 0.227 132 R C 2.514 178.654 176.300 -0.268 0.000 1.103 132 R CA 1.163 56.955 56.100 -0.515 0.000 0.983 132 R CB -0.339 29.163 30.300 -1.330 0.000 0.874 132 R HN 0.639 nan 8.270 nan 0.000 0.451 133 S N 0.943 116.671 115.700 0.047 0.000 2.356 133 S HA -0.105 4.364 4.470 -0.001 0.000 0.223 133 S C 1.878 176.666 174.600 0.312 0.000 1.032 133 S CA 1.111 59.547 58.200 0.393 0.000 1.005 133 S CB -0.050 63.443 63.200 0.489 0.000 0.867 133 S HN 0.210 nan 8.310 nan 0.000 0.449 134 I N 1.104 121.780 120.570 0.177 0.000 2.315 134 I HA -0.131 4.039 4.170 -0.001 0.000 0.248 134 I C 2.333 178.556 176.117 0.176 0.000 1.117 134 I CA 0.763 62.197 61.300 0.224 0.000 1.404 134 I CB -0.362 37.703 38.000 0.110 0.000 1.071 134 I HN 0.331 nan 8.210 nan 0.000 0.419 135 L N 0.911 122.169 121.223 0.058 0.000 2.012 135 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 135 L C 1.924 178.705 176.870 -0.149 0.000 1.073 135 L CA 2.061 56.818 54.840 -0.139 0.000 0.748 135 L CB -0.742 41.325 42.059 0.013 0.000 0.891 135 L HN 0.156 nan 8.230 nan 0.000 0.431 136 D N -0.282 120.112 120.400 -0.011 0.000 2.309 136 D HA -0.118 4.522 4.640 -0.001 0.000 0.212 136 D C 1.045 177.358 176.300 0.022 0.000 0.968 136 D CA 0.872 54.889 54.000 0.029 0.000 0.882 136 D CB -0.100 40.793 40.800 0.155 0.000 0.918 136 D HN 0.519 nan 8.370 nan 0.000 0.503 137 N N -0.351 118.383 118.700 0.057 0.000 2.200 137 N HA 0.087 4.827 4.740 -0.001 0.000 0.224 137 N C -0.372 175.147 175.510 0.016 0.000 1.179 137 N CA 0.027 53.094 53.050 0.027 0.000 0.877 137 N CB 1.235 39.754 38.487 0.054 0.000 1.072 137 N HN -0.102 nan 8.380 nan 0.000 0.519 138 S N 0.147 115.823 115.700 -0.040 0.000 2.745 138 S HA 0.302 4.771 4.470 -0.001 0.000 0.306 138 S C -0.416 174.058 174.600 -0.210 0.000 1.137 138 S CA -0.719 57.442 58.200 -0.065 0.000 0.900 138 S CB 2.016 65.224 63.200 0.013 0.000 1.176 138 S HN 0.100 nan 8.310 nan 0.000 0.520 139 N N 1.699 120.289 118.700 -0.182 0.000 2.500 139 N HA 0.343 5.082 4.740 -0.001 0.000 0.236 139 N C -2.269 172.977 175.510 -0.439 0.000 1.022 139 N CA -1.969 50.953 53.050 -0.214 0.000 0.935 139 N CB 0.965 39.411 38.487 -0.068 0.000 1.147 139 N HN 0.118 nan 8.380 nan 0.000 0.512 140 P HA -0.052 nan 4.420 nan 0.000 0.229 140 P C -0.289 176.833 177.300 -0.295 0.000 1.150 140 P CA 0.930 63.526 63.100 -0.840 0.000 0.765 140 P CB 0.023 31.424 31.700 -0.498 0.000 0.783 141 T N 0.219 114.705 114.554 -0.113 0.000 2.822 141 T HA 0.235 4.585 4.350 -0.001 0.000 0.288 141 T C 1.507 176.311 174.700 0.172 0.000 0.991 141 T CA 1.132 63.253 62.100 0.035 0.000 1.176 141 T CB -0.378 68.507 68.868 0.029 0.000 0.951 141 T HN 0.385 nan 8.240 nan 0.000 0.526 142 G N 2.607 111.499 108.800 0.154 0.000 2.184 142 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.264 142 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.264 142 G C 0.049 175.099 174.900 0.251 0.000 0.975 142 G CA -0.433 44.768 45.100 0.167 0.000 0.642 142 G HN 0.682 nan 8.290 nan 0.000 0.536 143 W N 1.158 122.465 121.300 0.012 0.000 2.210 143 W HA 0.536 5.196 4.660 -0.001 0.000 0.330 143 W C 1.532 178.056 176.519 0.008 0.000 1.334 143 W CA 0.170 57.528 57.345 0.023 0.000 1.227 143 W CB 0.422 29.908 29.460 0.044 0.000 1.178 143 W HN 0.272 nan 8.180 nan 0.000 0.560 144 Q N 1.715 121.583 119.800 0.113 0.000 2.451 144 Q HA 0.051 4.391 4.340 -0.001 0.000 0.206 144 Q C -0.084 175.934 176.000 0.031 0.000 0.947 144 Q CA 0.679 56.509 55.803 0.044 0.000 0.937 144 Q CB 0.156 28.884 28.738 -0.017 0.000 1.025 144 Q HN 0.364 nan 8.270 nan 0.000 0.511 145 N N -0.194 118.561 118.700 0.091 0.000 2.324 145 N HA 0.277 5.017 4.740 -0.001 0.000 0.285 145 N C -0.696 174.868 175.510 0.089 0.000 1.076 145 N CA -0.207 52.836 53.050 -0.011 0.000 0.864 145 N CB 1.893 40.345 38.487 -0.059 0.000 1.632 145 N HN -0.028 nan 8.380 nan 0.000 0.478 146 L N 0.511 121.626 121.223 -0.180 0.000 3.086 146 L HA 0.321 4.660 4.340 -0.001 0.000 0.274 146 L C -0.055 176.515 176.870 -0.500 0.000 1.184 146 L CA 0.200 54.977 54.840 -0.106 0.000 1.002 146 L CB 0.470 42.508 42.059 -0.035 0.000 1.383 146 L HN 0.342 nan 8.230 nan 0.000 0.582 147 Q N -0.528 118.666 119.800 -1.009 0.000 2.482 147 Q HA 0.393 4.733 4.340 -0.001 0.000 0.286 147 Q C -2.678 172.652 176.000 -1.116 0.000 1.007 147 Q CA -1.791 53.444 55.803 -0.946 0.000 0.801 147 Q CB 2.689 31.179 28.738 -0.413 0.000 1.455 147 Q HN -0.233 nan 8.270 nan 0.000 0.398 148 P HA 0.048 nan 4.420 nan 0.000 0.267 148 P C -0.594 176.144 177.300 -0.936 0.000 1.200 148 P CA 0.364 63.035 63.100 -0.716 0.000 0.772 148 P CB 0.607 32.001 31.700 -0.510 0.000 0.855 149 G N 0.348 108.846 108.800 -0.503 0.000 3.211 149 G HA2 0.658 4.618 3.960 -0.001 0.000 0.167 149 G HA3 0.658 4.618 3.960 -0.001 0.000 0.167 149 G C -0.297 174.540 174.900 -0.105 0.000 1.212 149 G CA 0.009 44.918 45.100 -0.320 0.000 0.928 149 G HN 0.693 nan 8.290 nan 0.000 0.607 150 A N -1.114 121.686 122.820 -0.033 0.000 5.823 150 A HA -0.102 4.217 4.320 -0.001 0.000 0.273 150 A C 0.919 178.611 177.584 0.180 0.000 2.094 150 A CA 0.987 53.068 52.037 0.073 0.000 0.713 150 A CB -1.779 17.265 19.000 0.073 0.000 1.132 150 A HN 1.788 nan 8.150 nan 0.000 0.363 151 S N 0.957 116.826 115.700 0.282 0.000 3.919 151 S HA 0.393 4.863 4.470 -0.001 0.000 0.245 151 S C -0.034 174.824 174.600 0.429 0.000 1.344 151 S CA 0.558 58.993 58.200 0.392 0.000 0.896 151 S CB -0.415 63.011 63.200 0.376 0.000 1.557 151 S HN 0.946 nan 8.310 nan 0.000 0.468 152 H N 3.102 122.319 119.070 0.246 0.000 2.864 152 H HA 0.386 4.941 4.556 -0.001 0.000 0.281 152 H C -0.479 175.003 175.328 0.256 0.000 1.093 152 H CA -0.638 55.516 56.048 0.175 0.000 1.453 152 H CB -0.117 29.657 29.762 0.021 0.000 1.462 152 H HN 0.447 nan 8.280 nan 0.000 0.480 153 I N 6.808 127.465 120.570 0.145 0.000 2.355 153 I HA 0.294 4.464 4.170 -0.001 0.000 0.288 153 I C -0.037 176.014 176.117 -0.109 0.000 0.999 153 I CA -0.748 60.590 61.300 0.063 0.000 1.163 153 I CB 0.900 39.037 38.000 0.228 0.000 1.316 153 I HN 0.478 nan 8.210 nan 0.000 0.454 154 R N 5.969 126.326 120.500 -0.238 0.000 2.202 154 R HA 0.381 4.721 4.340 -0.001 0.000 0.334 154 R C -0.800 175.439 176.300 -0.101 0.000 1.036 154 R CA -0.719 55.264 56.100 -0.195 0.000 0.878 154 R CB 1.281 31.431 30.300 -0.249 0.000 1.067 154 R HN 0.321 nan 8.270 nan 0.000 0.457 155 V N 6.247 126.142 119.914 -0.031 0.000 2.397 155 V HA 0.070 4.190 4.120 -0.001 0.000 0.262 155 V C 0.740 176.797 176.094 -0.061 0.000 1.047 155 V CA 0.160 62.447 62.300 -0.021 0.000 1.003 155 V CB 0.235 32.096 31.823 0.062 0.000 1.037 155 V HN 0.657 nan 8.190 nan 0.000 0.480 156 L N 5.260 126.395 121.223 -0.147 0.000 3.096 156 L HA 0.246 4.585 4.340 -0.001 0.000 0.272 156 L C 0.932 177.738 176.870 -0.108 0.000 1.311 156 L CA -0.323 54.408 54.840 -0.181 0.000 0.943 156 L CB 0.417 42.207 42.059 -0.449 0.000 1.348 156 L HN 0.732 nan 8.230 nan 0.000 0.562 157 T N -2.969 111.563 114.554 -0.036 0.000 2.898 157 T HA 0.329 4.678 4.350 -0.001 0.000 0.301 157 T C 0.569 175.291 174.700 0.035 0.000 1.049 157 T CA -0.433 61.669 62.100 0.003 0.000 1.095 157 T CB 1.371 70.244 68.868 0.008 0.000 0.976 157 T HN 0.136 nan 8.240 nan 0.000 0.539 158 S N 3.474 119.201 115.700 0.044 0.000 2.610 158 S HA 0.291 4.761 4.470 -0.001 0.000 0.273 158 S C -1.386 173.240 174.600 0.043 0.000 1.274 158 S CA -1.210 57.020 58.200 0.049 0.000 1.023 158 S CB 1.148 64.377 63.200 0.047 0.000 0.962 158 S HN 0.571 nan 8.310 nan 0.000 0.523 159 P HA -0.176 nan 4.420 nan 0.000 0.218 159 P C 1.467 178.789 177.300 0.036 0.000 1.154 159 P CA 1.494 64.621 63.100 0.045 0.000 0.872 159 P CB -0.083 31.643 31.700 0.043 0.000 0.790 160 S N -1.779 113.939 115.700 0.030 0.000 2.507 160 S HA 0.105 4.574 4.470 -0.001 0.000 0.235 160 S C 1.133 175.745 174.600 0.020 0.000 0.988 160 S CA 0.672 58.886 58.200 0.023 0.000 0.944 160 S CB -0.522 62.690 63.200 0.019 0.000 0.762 160 S HN 0.150 nan 8.310 nan 0.000 0.526 161 A N 1.157 123.989 122.820 0.021 0.000 3.422 161 A HA 0.643 4.963 4.320 -0.001 0.000 0.271 161 A C -2.122 175.473 177.584 0.019 0.000 1.104 161 A CA -1.097 50.949 52.037 0.015 0.000 0.899 161 A CB 0.604 19.608 19.000 0.007 0.000 1.309 161 A HN 0.131 nan 8.150 nan 0.000 0.580 162 P HA -0.204 nan 4.420 nan 0.000 0.214 162 P C 0.200 177.529 177.300 0.047 0.000 1.169 162 P CA 1.411 64.538 63.100 0.045 0.000 0.908 162 P CB 0.065 31.793 31.700 0.046 0.000 0.791 163 Q N -0.890 118.934 119.800 0.040 0.000 2.311 163 Q HA 0.284 4.624 4.340 -0.001 0.000 0.272 163 Q C 1.301 177.306 176.000 0.009 0.000 1.012 163 Q CA 0.336 56.171 55.803 0.053 0.000 0.891 163 Q CB 0.100 28.875 28.738 0.062 0.000 1.201 163 Q HN 0.081 nan 8.270 nan 0.000 0.391 164 A N 3.133 125.965 122.820 0.020 0.000 1.873 164 A HA -0.014 4.305 4.320 -0.001 0.000 0.215 164 A C -0.026 177.300 177.584 -0.431 0.000 1.186 164 A CA 1.057 52.998 52.037 -0.160 0.000 0.616 164 A CB 0.096 19.094 19.000 -0.002 0.000 0.823 164 A HN 0.622 nan 8.150 nan 0.000 0.442 165 F N -1.397 118.611 119.950 0.096 0.000 2.507 165 F HA 0.574 5.101 4.527 -0.001 0.000 0.328 165 F C -0.596 175.263 175.800 0.098 0.000 1.136 165 F CA -0.915 57.157 58.000 0.120 0.000 0.930 165 F CB 2.052 41.150 39.000 0.163 0.000 1.166 165 F HN 0.015 nan 8.300 nan 0.000 0.436 166 L N 5.321 126.689 121.223 0.240 0.000 2.345 166 L HA 0.643 4.983 4.340 -0.001 0.000 0.274 166 L C -1.241 175.755 176.870 0.209 0.000 0.999 166 L CA -0.650 54.297 54.840 0.177 0.000 0.849 166 L CB 1.333 43.450 42.059 0.097 0.000 1.220 166 L HN 0.338 nan 8.230 nan 0.000 0.422 167 V N 6.091 126.153 119.914 0.246 0.000 2.385 167 V HA 0.612 4.732 4.120 -0.001 0.000 0.269 167 V C -0.136 176.070 176.094 0.186 0.000 1.043 167 V CA -0.405 62.055 62.300 0.267 0.000 0.906 167 V CB 0.668 32.740 31.823 0.415 0.000 0.995 167 V HN 0.852 nan 8.190 nan 0.000 0.467 168 K N 4.347 124.830 120.400 0.138 0.000 2.598 168 K HA 0.785 5.104 4.320 -0.001 0.000 0.271 168 K C -1.238 175.401 176.600 0.065 0.000 0.947 168 K CA -1.146 55.195 56.287 0.089 0.000 0.854 168 K CB 2.431 34.970 32.500 0.065 0.000 1.401 168 K HN 0.495 nan 8.250 nan 0.000 0.415 169 R N 1.082 121.609 120.500 0.045 0.000 2.643 169 R HA 0.658 4.998 4.340 -0.001 0.000 0.269 169 R C -1.530 174.780 176.300 0.017 0.000 1.037 169 R CA -0.493 55.624 56.100 0.029 0.000 0.894 169 R CB 2.404 32.720 30.300 0.026 0.000 1.238 169 R HN 0.903 nan 8.270 nan 0.000 0.459 170 A N 1.413 124.240 122.820 0.013 0.000 2.248 170 A HA 0.866 5.185 4.320 -0.001 0.000 0.316 170 A C 0.208 177.795 177.584 0.006 0.000 1.101 170 A CA 0.051 52.093 52.037 0.008 0.000 0.875 170 A CB 0.546 19.551 19.000 0.008 0.000 1.207 170 A HN 1.221 nan 8.150 nan 0.000 0.504 171 G N -0.372 108.430 108.800 0.003 0.000 2.741 171 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.222 171 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.222 171 G C -0.953 173.948 174.900 0.001 0.000 1.364 171 G CA 0.021 45.122 45.100 0.003 0.000 0.866 171 G HN 0.891 nan 8.290 nan 0.000 0.555 172 D N 0.610 121.011 120.400 0.002 0.000 2.228 172 D HA 0.623 5.262 4.640 -0.001 0.000 0.247 172 D C -1.823 174.479 176.300 0.003 0.000 0.995 172 D CA -0.733 53.267 54.000 0.001 0.000 0.903 172 D CB 1.118 41.919 40.800 0.001 0.000 1.205 172 D HN 0.291 nan 8.370 nan 0.000 0.459 173 P HA 0.222 nan 4.420 nan 0.000 0.271 173 P C -0.048 177.246 177.300 -0.009 0.000 1.216 173 P CA -0.123 62.978 63.100 0.001 0.000 0.776 173 P CB 0.796 32.500 31.700 0.007 0.000 0.881 174 R N 1.346 121.839 120.500 -0.012 0.000 2.679 174 R HA 0.285 4.624 4.340 -0.001 0.000 0.269 174 R C 0.128 176.421 176.300 -0.012 0.000 1.076 174 R CA -0.736 55.351 56.100 -0.022 0.000 1.160 174 R CB 0.172 30.447 30.300 -0.042 0.000 1.054 174 R HN 0.430 nan 8.270 nan 0.000 0.507 175 L N 1.074 122.305 121.223 0.012 0.000 2.490 175 L HA 0.045 4.384 4.340 -0.001 0.000 0.274 175 L C 0.573 177.555 176.870 0.187 0.000 1.201 175 L CA 0.662 55.551 54.840 0.082 0.000 0.869 175 L CB 0.829 43.026 42.059 0.229 0.000 1.123 175 L HN 0.565 nan 8.230 nan 0.000 0.484 176 S N 0.890 116.633 115.700 0.071 0.000 2.595 176 S HA 0.650 5.119 4.470 -0.001 0.000 0.281 176 S C 0.483 175.104 174.600 0.035 0.000 1.117 176 S CA 0.086 58.381 58.200 0.158 0.000 0.873 176 S CB 1.727 64.981 63.200 0.089 0.000 1.108 176 S HN 0.982 nan 8.310 nan 0.000 0.477 177 G N 2.097 111.042 108.800 0.242 0.000 2.187 177 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.261 177 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.261 177 G C 0.071 174.932 174.900 -0.065 0.000 1.000 177 G CA 0.624 45.847 45.100 0.205 0.000 0.718 177 G HN 0.745 nan 8.290 nan 0.000 0.519 178 I N 0.262 120.522 120.570 -0.516 0.000 2.496 178 I HA 0.331 4.500 4.170 -0.001 0.000 0.285 178 I C 0.506 176.295 176.117 -0.546 0.000 1.080 178 I CA -0.347 60.506 61.300 -0.746 0.000 1.404 178 I CB 1.274 38.522 38.000 -1.253 0.000 1.403 178 I HN -0.113 nan 8.210 nan 0.000 0.539 179 V N 7.283 126.949 119.914 -0.414 0.000 2.487 179 V HA 0.390 4.510 4.120 -0.001 0.000 0.298 179 V C -0.698 175.176 176.094 -0.366 0.000 1.028 179 V CA -0.573 61.581 62.300 -0.243 0.000 0.860 179 V CB 1.637 33.379 31.823 -0.135 0.000 0.991 179 V HN 0.359 nan 8.190 nan 0.000 0.427 180 F N 5.177 125.062 119.950 -0.108 0.000 2.403 180 F HA 0.770 5.296 4.527 -0.001 0.000 0.355 180 F C 0.397 176.131 175.800 -0.110 0.000 1.119 180 F CA -0.486 57.474 58.000 -0.067 0.000 1.007 180 F CB 1.465 40.414 39.000 -0.084 0.000 1.194 180 F HN 0.540 nan 8.300 nan 0.000 0.443 181 R N 1.537 122.105 120.500 0.113 0.000 2.707 181 R HA 0.428 4.767 4.340 -0.001 0.000 0.272 181 R C -1.281 175.061 176.300 0.071 0.000 1.011 181 R CA -0.882 55.215 56.100 -0.005 0.000 0.893 181 R CB 1.534 31.778 30.300 -0.094 0.000 1.233 181 R HN 0.509 nan 8.270 nan 0.000 0.464 182 D N 0.889 121.285 120.400 -0.007 0.000 2.701 182 D HA -0.205 4.435 4.640 -0.001 0.000 0.235 182 D C -0.585 175.830 176.300 0.193 0.000 1.155 182 D CA 1.906 55.943 54.000 0.063 0.000 0.649 182 D CB -1.207 39.612 40.800 0.033 0.000 1.050 182 D HN 0.452 nan 8.370 nan 0.000 0.425 183 F N -2.114 117.842 119.950 0.009 0.000 2.692 183 F HA 0.644 5.171 4.527 -0.001 0.000 0.320 183 F C -0.866 174.933 175.800 -0.001 0.000 1.123 183 F CA -1.488 56.533 58.000 0.035 0.000 0.961 183 F CB 1.510 40.528 39.000 0.031 0.000 1.383 183 F HN 0.005 nan 8.300 nan 0.000 0.483 184 C N 2.869 122.364 119.300 0.325 0.000 2.345 184 C HA 0.789 5.249 4.460 -0.001 0.000 0.323 184 C C -0.833 174.303 174.990 0.243 0.000 1.276 184 C CA -0.714 58.401 59.018 0.161 0.000 1.543 184 C CB 0.065 27.932 27.740 0.213 0.000 2.211 184 C HN 0.793 nan 8.230 nan 0.000 0.493 185 L N 5.531 126.783 121.223 0.048 0.000 2.294 185 L HA 0.438 4.778 4.340 -0.001 0.000 0.283 185 L C -0.744 176.250 176.870 0.205 0.000 1.015 185 L CA 0.024 54.959 54.840 0.157 0.000 0.831 185 L CB 1.217 43.342 42.059 0.109 0.000 1.217 185 L HN 0.688 nan 8.230 nan 0.000 0.420 186 D N 2.162 122.684 120.400 0.203 0.000 2.492 186 D HA 0.316 4.956 4.640 -0.001 0.000 0.248 186 D C 0.880 177.263 176.300 0.139 0.000 1.101 186 D CA -0.463 53.654 54.000 0.196 0.000 0.840 186 D CB 2.226 43.198 40.800 0.285 0.000 1.209 186 D HN 0.499 nan 8.370 nan 0.000 0.524 187 G N 2.032 110.927 108.800 0.158 0.000 2.848 187 G HA2 0.115 4.075 3.960 -0.001 0.000 0.208 187 G HA3 0.115 4.075 3.960 -0.001 0.000 0.208 187 G C 1.260 176.197 174.900 0.063 0.000 1.152 187 G CA 0.572 45.740 45.100 0.114 0.000 0.789 187 G HN 0.663 nan 8.290 nan 0.000 0.531 188 V N -1.220 118.729 119.914 0.059 0.000 0.489 188 V HA -0.232 3.887 4.120 -0.001 0.000 0.092 188 V C 1.284 177.407 176.094 0.049 0.000 2.367 188 V CA 2.164 64.478 62.300 0.022 0.000 3.630 188 V CB -1.647 30.180 31.823 0.008 0.000 0.914 188 V HN 1.391 nan 8.190 nan 0.000 0.957 189 G N -2.121 106.713 108.800 0.058 0.000 2.576 189 G HA2 0.617 4.577 3.960 -0.001 0.000 0.290 189 G HA3 0.617 4.577 3.960 -0.001 0.000 0.290 189 G C -1.838 172.956 174.900 -0.178 0.000 1.442 189 G CA -0.538 44.592 45.100 0.050 0.000 0.792 189 G HN 0.197 nan 8.290 nan 0.000 0.491 190 F N 1.190 121.172 119.950 0.052 0.000 2.421 190 F HA 0.736 5.263 4.527 -0.001 0.000 0.337 190 F C 0.820 176.639 175.800 0.032 0.000 1.105 190 F CA -0.939 57.035 58.000 -0.044 0.000 1.049 190 F CB 2.318 41.199 39.000 -0.198 0.000 1.139 190 F HN 0.473 nan 8.300 nan 0.000 0.479 191 T N 0.819 115.541 114.554 0.279 0.000 2.921 191 T HA 0.425 4.774 4.350 -0.001 0.000 0.297 191 T C -2.292 172.485 174.700 0.127 0.000 1.013 191 T CA -1.693 60.507 62.100 0.166 0.000 0.990 191 T CB 2.078 71.026 68.868 0.134 0.000 1.023 191 T HN 0.164 nan 8.240 nan 0.000 0.447 192 P HA 0.141 nan 4.420 nan 0.000 0.216 192 P C 0.951 178.289 177.300 0.064 0.000 1.153 192 P CA 0.645 63.779 63.100 0.057 0.000 0.844 192 P CB -0.200 31.516 31.700 0.026 0.000 0.787 193 G N 0.360 109.200 108.800 0.066 0.000 2.390 193 G HA2 0.161 4.120 3.960 -0.001 0.000 0.270 193 G HA3 0.161 4.120 3.960 -0.001 0.000 0.270 193 G C 0.792 175.766 174.900 0.123 0.000 1.211 193 G CA -0.392 44.749 45.100 0.068 0.000 0.842 193 G HN 0.206 nan 8.290 nan 0.000 0.519 194 K N 0.798 121.265 120.400 0.112 0.000 2.283 194 K HA -0.026 4.294 4.320 -0.001 0.000 0.202 194 K C 0.491 177.233 176.600 0.236 0.000 1.048 194 K CA 0.940 57.330 56.287 0.171 0.000 0.948 194 K CB 0.168 32.740 32.500 0.121 0.000 0.742 194 K HN 0.294 nan 8.250 nan 0.000 0.458 195 N N 1.176 119.970 118.700 0.156 0.000 2.389 195 N HA 0.019 4.758 4.740 -0.001 0.000 0.260 195 N C 0.452 176.072 175.510 0.183 0.000 1.191 195 N CA 0.332 53.497 53.050 0.192 0.000 0.885 195 N CB 1.288 39.781 38.487 0.009 0.000 1.162 195 N HN 0.382 nan 8.380 nan 0.000 0.512 196 S N -0.552 115.192 115.700 0.072 0.000 2.470 196 S HA -0.061 4.409 4.470 -0.001 0.000 0.225 196 S C 0.514 175.096 174.600 -0.030 0.000 1.006 196 S CA 0.167 58.415 58.200 0.079 0.000 0.934 196 S CB -0.347 62.911 63.200 0.097 0.000 0.778 196 S HN 0.334 nan 8.310 nan 0.000 0.517 197 Y N 0.617 120.219 120.300 -1.164 0.000 4.177 197 Y HA -0.213 4.336 4.550 -0.001 0.000 0.227 197 Y C 0.013 175.232 175.900 -1.134 0.000 1.154 197 Y CA 0.843 57.814 58.100 -1.881 0.000 1.887 197 Y CB -2.529 35.428 38.460 -0.837 0.000 1.594 197 Y HN 0.568 nan 8.280 nan 0.000 0.668 198 H N 0.268 119.039 119.070 -0.497 0.000 2.679 198 H HA 0.605 5.160 4.556 -0.001 0.000 0.360 198 H C 0.496 175.930 175.328 0.176 0.000 1.105 198 H CA -0.437 55.573 56.048 -0.064 0.000 1.196 198 H CB 1.147 30.889 29.762 -0.032 0.000 1.636 198 H HN 0.184 nan 8.280 nan 0.000 0.531 199 N N 0.532 119.397 118.700 0.275 0.000 1.903 199 N HA 0.046 4.785 4.740 -0.001 0.000 0.220 199 N C 0.965 176.589 175.510 0.190 0.000 1.427 199 N CA 0.296 53.501 53.050 0.257 0.000 0.697 199 N CB 0.008 38.676 38.487 0.302 0.000 1.097 199 N HN 0.825 nan 8.380 nan 0.000 0.564 200 G N 0.442 109.353 108.800 0.185 0.000 2.200 200 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.267 200 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.267 200 G C -0.371 174.628 174.900 0.165 0.000 0.993 200 G CA 1.099 46.302 45.100 0.170 0.000 0.701 200 G HN 0.593 nan 8.290 nan 0.000 0.524 201 K N 0.004 120.511 120.400 0.178 0.000 2.123 201 K HA 0.672 4.992 4.320 -0.001 0.000 0.259 201 K C -0.218 176.503 176.600 0.201 0.000 0.960 201 K CA -0.387 55.996 56.287 0.161 0.000 0.872 201 K CB 1.576 34.162 32.500 0.143 0.000 1.079 201 K HN 0.072 nan 8.250 nan 0.000 0.440 202 T N 0.286 114.942 114.554 0.171 0.000 2.876 202 T HA 0.281 4.630 4.350 -0.001 0.000 0.289 202 T C 0.835 175.651 174.700 0.193 0.000 1.014 202 T CA -0.769 61.444 62.100 0.188 0.000 0.986 202 T CB 1.859 70.801 68.868 0.124 0.000 1.021 202 T HN 0.753 nan 8.240 nan 0.000 0.458 203 G N 1.631 110.577 108.800 0.243 0.000 2.518 203 G HA2 0.286 4.246 3.960 -0.001 0.000 0.213 203 G HA3 0.286 4.246 3.960 -0.001 0.000 0.213 203 G C 0.153 175.247 174.900 0.324 0.000 1.226 203 G CA 0.349 45.653 45.100 0.339 0.000 0.822 203 G HN 0.651 nan 8.290 nan 0.000 0.546 204 I N 0.274 120.975 120.570 0.218 0.000 2.478 204 I HA 0.374 4.543 4.170 -0.001 0.000 0.287 204 I C -1.266 174.872 176.117 0.036 0.000 1.042 204 I CA -0.490 60.847 61.300 0.061 0.000 1.067 204 I CB 2.624 40.487 38.000 -0.228 0.000 1.233 204 I HN 0.225 nan 8.210 nan 0.000 0.431 205 E N 6.180 126.426 120.200 0.076 0.000 2.241 205 E HA 0.503 4.853 4.350 -0.001 0.000 0.263 205 E C -1.800 174.867 176.600 0.111 0.000 0.882 205 E CA -0.614 55.826 56.400 0.067 0.000 0.769 205 E CB 2.178 31.905 29.700 0.045 0.000 1.185 205 E HN 0.335 nan 8.360 nan 0.000 0.415 206 V N 4.702 124.680 119.914 0.107 0.000 2.294 206 V HA 0.346 4.466 4.120 -0.001 0.000 0.272 206 V C 0.792 176.918 176.094 0.053 0.000 1.027 206 V CA 0.154 62.536 62.300 0.138 0.000 0.823 206 V CB 0.652 32.575 31.823 0.168 0.000 1.030 206 V HN 0.884 nan 8.190 nan 0.000 0.457 207 A N 3.682 126.534 122.820 0.054 0.000 2.132 207 A HA 0.231 4.551 4.320 -0.001 0.000 0.213 207 A C 1.211 178.794 177.584 -0.001 0.000 1.154 207 A CA 0.367 52.416 52.037 0.019 0.000 0.753 207 A CB 0.153 19.167 19.000 0.024 0.000 0.826 207 A HN 0.625 nan 8.150 nan 0.000 0.469 208 S N 0.969 116.668 115.700 -0.001 0.000 2.651 208 S HA 0.401 4.871 4.470 -0.001 0.000 0.291 208 S C -0.997 173.553 174.600 -0.082 0.000 1.141 208 S CA -0.807 57.377 58.200 -0.026 0.000 1.027 208 S CB 0.913 64.112 63.200 -0.002 0.000 1.043 208 S HN 0.371 nan 8.310 nan 0.000 0.530 209 D N 2.551 122.898 120.400 -0.088 0.000 2.488 209 D HA 0.180 4.820 4.640 -0.001 0.000 0.238 209 D C 0.013 176.195 176.300 -0.196 0.000 1.138 209 D CA 0.509 54.430 54.000 -0.133 0.000 0.873 209 D CB -0.006 40.736 40.800 -0.098 0.000 1.183 209 D HN 0.652 nan 8.370 nan 0.000 0.458 210 N N -0.149 118.354 118.700 -0.328 0.000 2.262 210 N HA 0.541 5.281 4.740 -0.001 0.000 0.295 210 N C -1.612 173.671 175.510 -0.378 0.000 1.161 210 N CA -0.991 51.726 53.050 -0.555 0.000 0.767 210 N CB 2.083 39.693 38.487 -1.461 0.000 1.499 210 N HN 0.051 nan 8.380 nan 0.000 0.476 211 D N -0.576 119.705 120.400 -0.197 0.000 2.649 211 D HA 0.394 5.034 4.640 -0.001 0.000 0.249 211 D C -0.743 175.660 176.300 0.173 0.000 1.112 211 D CA -0.178 53.810 54.000 -0.020 0.000 0.850 211 D CB 1.477 42.286 40.800 0.016 0.000 1.399 211 D HN 0.629 nan 8.370 nan 0.000 0.503 212 S N 1.986 117.775 115.700 0.148 0.000 3.682 212 S HA -0.203 4.267 4.470 -0.001 0.000 0.354 212 S C -0.176 174.642 174.600 0.364 0.000 1.034 212 S CA -0.022 58.297 58.200 0.198 0.000 1.084 212 S CB -1.442 61.855 63.200 0.162 0.000 0.903 212 S HN 0.378 nan 8.310 nan 0.000 0.470 213 F N 1.588 121.581 119.950 0.072 0.000 2.410 213 F HA 0.543 5.070 4.527 -0.001 0.000 0.334 213 F C 0.910 176.811 175.800 0.169 0.000 1.134 213 F CA -0.505 57.568 58.000 0.123 0.000 1.227 213 F CB 0.701 39.780 39.000 0.133 0.000 1.194 213 F HN 0.372 nan 8.300 nan 0.000 0.571 214 H N 3.519 122.702 119.070 0.189 0.000 2.840 214 H HA 0.453 5.009 4.556 -0.000 0.000 0.340 214 H C -1.380 174.033 175.328 0.143 0.000 1.004 214 H CA -1.057 55.070 56.048 0.131 0.000 1.288 214 H CB 0.785 30.588 29.762 0.068 0.000 1.607 214 H HN 0.261 nan 8.280 nan 0.000 0.522 215 I N 5.091 125.879 120.570 0.363 0.000 2.464 215 I HA 0.224 4.393 4.170 -0.001 0.000 0.277 215 I C 0.291 176.467 176.117 0.098 0.000 1.040 215 I CA -0.173 61.246 61.300 0.199 0.000 1.153 215 I CB 0.809 38.943 38.000 0.224 0.000 1.274 215 I HN 0.508 nan 8.210 nan 0.000 0.469 216 T N 3.200 117.705 114.554 -0.082 0.000 2.896 216 T HA 0.772 5.122 4.350 -0.001 0.000 0.297 216 T C 0.093 174.749 174.700 -0.074 0.000 1.108 216 T CA 0.514 62.568 62.100 -0.078 0.000 1.004 216 T CB 1.895 70.659 68.868 -0.174 0.000 1.159 216 T HN 1.052 nan 8.240 nan 0.000 0.499 220 F N 1.532 121.620 119.950 0.230 0.000 2.482 220 F HA 0.781 5.307 4.527 -0.001 0.000 0.331 220 F C 0.168 176.174 175.800 0.344 0.000 1.115 220 F CA -1.054 57.076 58.000 0.216 0.000 0.955 220 F CB 2.651 41.738 39.000 0.145 0.000 1.136 220 F HN 0.399 nan 8.300 nan 0.000 0.452 221 V N 4.272 124.469 119.914 0.473 0.000 2.891 221 V HA 0.421 4.541 4.120 -0.001 0.000 0.304 221 V C -1.166 175.169 176.094 0.402 0.000 1.171 221 V CA -0.697 61.875 62.300 0.454 0.000 0.943 221 V CB 1.475 33.444 31.823 0.244 0.000 1.037 221 V HN 0.625 nan 8.190 nan 0.000 0.427 222 Y N 4.281 124.687 120.300 0.178 0.000 3.389 222 Y HA -0.192 4.357 4.550 -0.001 0.000 0.213 222 Y C -0.274 175.662 175.900 0.061 0.000 1.272 222 Y CA 0.945 59.007 58.100 -0.063 0.000 1.444 222 Y CB -1.163 37.063 38.460 -0.390 0.000 1.445 222 Y HN 0.494 nan 8.280 nan 0.000 0.583 223 L N -0.116 121.322 121.223 0.360 0.000 2.346 223 L HA 0.295 4.634 4.340 -0.001 0.000 0.276 223 L C 1.585 178.622 176.870 0.277 0.000 1.006 223 L CA -0.620 54.403 54.840 0.305 0.000 0.817 223 L CB 1.730 43.964 42.059 0.290 0.000 1.272 223 L HN 0.154 nan 8.230 nan 0.000 0.421 224 E N 1.359 121.682 120.200 0.206 0.000 2.110 224 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 224 E C -0.142 176.279 176.600 -0.298 0.000 0.988 224 E CA 1.080 57.453 56.400 -0.045 0.000 0.804 224 E CB 0.320 29.992 29.700 -0.047 0.000 0.745 224 E HN 0.455 nan 8.360 nan 0.000 0.458 225 H N -1.652 117.457 119.070 0.065 0.000 2.823 225 H HA 0.313 4.868 4.556 -0.001 0.000 0.332 225 H C 0.060 175.402 175.328 0.023 0.000 0.980 225 H CA 0.052 56.109 56.048 0.016 0.000 1.286 225 H CB 1.992 31.758 29.762 0.005 0.000 1.541 225 H HN 0.128 nan 8.280 nan 0.000 0.521 226 A N 3.733 126.568 122.820 0.026 0.000 1.831 226 A HA 0.038 4.358 4.320 -0.001 0.000 0.213 226 A C 0.493 177.903 177.584 -0.289 0.000 1.223 226 A CA 0.878 52.840 52.037 -0.126 0.000 0.604 226 A CB 0.157 18.921 19.000 -0.392 0.000 0.878 226 A HN 0.417 nan 8.150 nan 0.000 0.450 227 L N -0.479 120.516 121.223 -0.381 0.000 2.385 227 L HA 0.691 5.031 4.340 -0.001 0.000 0.273 227 L C -1.321 175.480 176.870 -0.114 0.000 0.990 227 L CA -0.292 54.378 54.840 -0.284 0.000 0.821 227 L CB 1.765 43.556 42.059 -0.446 0.000 1.279 227 L HN 0.329 nan 8.230 nan 0.000 0.412 228 I N 5.429 125.970 120.570 -0.048 0.000 2.533 228 I HA 0.569 4.739 4.170 -0.001 0.000 0.290 228 I C -1.198 174.922 176.117 0.004 0.000 1.056 228 I CA -0.842 60.445 61.300 -0.021 0.000 1.057 228 I CB 2.222 40.205 38.000 -0.028 0.000 1.240 228 I HN 0.272 nan 8.210 nan 0.000 0.423 229 V N 6.174 126.093 119.914 0.009 0.000 2.509 229 V HA 0.385 4.505 4.120 -0.001 0.000 0.289 229 V C -0.204 175.898 176.094 0.012 0.000 1.026 229 V CA -0.612 61.700 62.300 0.020 0.000 0.872 229 V CB 1.741 33.589 31.823 0.041 0.000 1.017 229 V HN 0.692 nan 8.190 nan 0.000 0.436 230 R N 2.943 123.437 120.500 -0.010 0.000 2.404 230 R HA 0.570 4.910 4.340 -0.001 0.000 0.291 230 R C 1.062 177.326 176.300 -0.060 0.000 1.025 230 R CA 0.695 56.783 56.100 -0.019 0.000 0.991 230 R CB 1.268 31.555 30.300 -0.022 0.000 1.053 230 R HN 1.142 nan 8.270 nan 0.000 0.479 231 G N 2.312 111.070 108.800 -0.070 0.000 2.366 231 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.299 231 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.299 231 G C -0.070 174.738 174.900 -0.153 0.000 1.020 231 G CA 0.370 45.399 45.100 -0.118 0.000 1.026 231 G HN 0.808 nan 8.290 nan 0.000 0.512 232 A N -0.194 122.548 122.820 -0.129 0.000 2.354 232 A HA 0.630 4.949 4.320 -0.001 0.000 0.269 232 A C 0.210 177.714 177.584 -0.134 0.000 1.109 232 A CA 0.345 52.308 52.037 -0.123 0.000 0.800 232 A CB 0.887 19.888 19.000 0.003 0.000 1.045 232 A HN 0.653 nan 8.150 nan 0.000 0.489 233 D N 0.611 120.941 120.400 -0.118 0.000 2.736 233 D HA 0.486 5.126 4.640 -0.001 0.000 0.243 233 D C 0.142 176.420 176.300 -0.036 0.000 1.304 233 D CA 0.700 54.648 54.000 -0.087 0.000 0.934 233 D CB 1.181 41.923 40.800 -0.097 0.000 1.382 233 D HN 1.537 nan 8.370 nan 0.000 0.571 234 A N 2.608 125.420 122.820 -0.013 0.000 2.872 234 A HA -0.212 4.107 4.320 -0.001 0.000 0.273 234 A C 0.107 177.710 177.584 0.032 0.000 1.442 234 A CA 0.786 52.828 52.037 0.008 0.000 0.801 234 A CB -2.244 16.763 19.000 0.010 0.000 1.031 234 A HN 0.690 nan 8.150 nan 0.000 0.582 235 L N -0.298 120.953 121.223 0.045 0.000 2.417 235 L HA 0.689 5.028 4.340 -0.001 0.000 0.268 235 L C 0.606 177.520 176.870 0.074 0.000 1.158 235 L CA 0.355 55.249 54.840 0.091 0.000 0.819 235 L CB 0.560 42.676 42.059 0.095 0.000 1.112 235 L HN 0.342 nan 8.230 nan 0.000 0.458 236 R N 3.273 123.835 120.500 0.103 0.000 2.502 236 R HA 0.634 4.973 4.340 -0.001 0.000 0.300 236 R C -1.735 174.676 176.300 0.184 0.000 0.984 236 R CA -0.686 55.458 56.100 0.074 0.000 0.882 236 R CB 1.959 32.199 30.300 -0.100 0.000 1.180 236 R HN 0.523 nan 8.270 nan 0.000 0.444 237 V N 5.641 125.633 119.914 0.129 0.000 2.357 237 V HA 0.359 4.478 4.120 -0.001 0.000 0.281 237 V C -0.738 175.413 176.094 0.095 0.000 1.015 237 V CA -0.847 61.528 62.300 0.124 0.000 0.827 237 V CB 1.075 32.938 31.823 0.067 0.000 1.018 237 V HN 0.829 nan 8.190 nan 0.000 0.432 238 N N 2.312 121.087 118.700 0.125 0.000 2.396 238 N HA 0.315 5.054 4.740 -0.001 0.000 0.275 238 N C -0.489 175.061 175.510 0.067 0.000 1.218 238 N CA -0.556 52.544 53.050 0.084 0.000 0.812 238 N CB 2.238 40.785 38.487 0.100 0.000 1.592 238 N HN 0.307 nan 8.380 nan 0.000 0.480 239 D N -0.412 120.002 120.400 0.025 0.000 2.746 239 D HA -0.145 4.495 4.640 -0.001 0.000 0.236 239 D C -0.931 175.375 176.300 0.011 0.000 1.129 239 D CA 0.890 54.894 54.000 0.005 0.000 0.691 239 D CB -1.140 39.665 40.800 0.009 0.000 1.077 239 D HN 0.627 nan 8.370 nan 0.000 0.432 243 A N 3.545 126.523 122.820 0.263 0.000 2.594 243 A HA 0.845 5.164 4.320 -0.001 0.000 0.291 243 A C 0.022 177.914 177.584 0.512 0.000 1.105 243 A CA -0.403 51.814 52.037 0.300 0.000 0.694 243 A CB 1.558 20.702 19.000 0.239 0.000 1.291 243 A HN 0.728 nan 8.150 nan 0.000 0.410 244 E N -1.176 119.331 120.200 0.511 0.000 2.416 244 E HA -0.196 4.154 4.350 -0.001 0.000 0.249 244 E C -0.621 176.355 176.600 0.626 0.000 1.124 244 E CA 0.723 57.496 56.400 0.621 0.000 0.732 244 E CB -1.976 28.145 29.700 0.701 0.000 1.286 244 E HN 0.626 nan 8.360 nan 0.000 0.394 245 C N -0.809 118.801 119.300 0.517 0.000 2.561 245 C HA 0.511 4.970 4.460 -0.001 0.000 0.319 245 C C 2.121 177.280 174.990 0.282 0.000 1.198 245 C CA -0.070 59.188 59.018 0.400 0.000 1.665 245 C CB 1.319 29.202 27.740 0.240 0.000 2.258 245 C HN 0.605 nan 8.230 nan 0.000 0.493 246 G N 1.944 110.817 108.800 0.123 0.000 2.418 246 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.217 246 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.217 246 G C 0.161 174.916 174.900 -0.241 0.000 1.158 246 G CA 0.964 45.965 45.100 -0.165 0.000 0.771 246 G HN 0.802 nan 8.290 nan 0.000 0.545 247 N N -2.547 116.030 118.700 -0.205 0.000 2.225 247 N HA 0.443 5.182 4.740 -0.001 0.000 0.298 247 N C -0.128 175.324 175.510 -0.097 0.000 1.076 247 N CA -0.665 52.288 53.050 -0.162 0.000 0.792 247 N CB 2.089 40.480 38.487 -0.160 0.000 1.498 247 N HN -0.019 nan 8.380 nan 0.000 0.474 248 C N -0.124 119.112 119.300 -0.108 0.000 2.810 248 C HA 0.375 4.835 4.460 -0.001 0.000 0.283 248 C C 0.396 175.275 174.990 -0.186 0.000 1.408 248 C CA -0.005 58.927 59.018 -0.144 0.000 1.727 248 C CB 0.076 27.731 27.740 -0.142 0.000 2.089 248 C HN 0.470 nan 8.230 nan 0.000 0.608 249 V N 1.934 121.764 119.914 -0.139 0.000 2.483 249 V HA 0.373 4.492 4.120 -0.001 0.000 0.297 249 V C -1.039 175.012 176.094 -0.072 0.000 1.027 249 V CA -0.126 62.099 62.300 -0.124 0.000 0.855 249 V CB 1.329 33.082 31.823 -0.116 0.000 0.995 249 V HN 0.464 nan 8.190 nan 0.000 0.424 250 E N 5.422 125.591 120.200 -0.051 0.000 2.149 250 E HA 0.464 4.813 4.350 -0.001 0.000 0.255 250 E C -1.088 175.501 176.600 -0.019 0.000 0.888 250 E CA -0.419 55.968 56.400 -0.021 0.000 0.742 250 E CB 1.728 31.435 29.700 0.011 0.000 1.164 250 E HN 0.566 nan 8.360 nan 0.000 0.422 251 L N 3.904 125.107 121.223 -0.034 0.000 2.352 251 L HA 0.252 4.591 4.340 -0.001 0.000 0.272 251 L C 0.668 177.578 176.870 0.067 0.000 1.109 251 L CA -0.518 54.324 54.840 0.004 0.000 0.952 251 L CB -0.213 41.744 42.059 -0.170 0.000 1.314 251 L HN 0.487 nan 8.230 nan 0.000 0.427 252 T N -1.958 112.631 114.554 0.058 0.000 2.849 252 T HA 0.719 5.069 4.350 -0.001 0.000 0.276 252 T C 1.171 175.894 174.700 0.039 0.000 0.971 252 T CA 0.223 62.350 62.100 0.045 0.000 0.949 252 T CB 2.037 70.913 68.868 0.014 0.000 1.093 252 T HN 0.666 nan 8.240 nan 0.000 0.545 253 G N 0.981 109.790 108.800 0.015 0.000 5.206 253 G HA2 0.175 4.134 3.960 -0.001 0.000 0.328 253 G HA3 0.175 4.134 3.960 -0.001 0.000 0.328 253 G C 0.250 175.133 174.900 -0.027 0.000 1.382 253 G CA 0.783 45.876 45.100 -0.012 0.000 0.994 253 G HN 2.185 nan 8.290 nan 0.000 0.800 254 A N -1.674 121.106 122.820 -0.068 0.000 2.544 254 A HA 0.915 5.235 4.320 -0.001 0.000 0.291 254 A C -0.065 177.271 177.584 -0.413 0.000 1.055 254 A CA 0.793 52.731 52.037 -0.165 0.000 0.651 254 A CB 0.687 19.605 19.000 -0.137 0.000 1.296 254 A HN 2.486 nan 8.150 nan 0.000 0.431 255 G N -0.443 107.905 108.800 -0.753 0.000 2.677 255 G HA2 0.630 4.589 3.960 -0.001 0.000 0.291 255 G HA3 0.630 4.589 3.960 -0.001 0.000 0.291 255 G C -2.111 172.429 174.900 -0.599 0.000 1.435 255 G CA -0.402 44.052 45.100 -1.077 0.000 0.826 255 G HN 0.699 nan 8.290 nan 0.000 0.491 256 Q N -0.543 119.054 119.800 -0.338 0.000 2.345 256 Q HA 0.581 4.921 4.340 -0.001 0.000 0.275 256 Q C 0.072 176.035 176.000 -0.063 0.000 1.063 256 Q CA -0.336 55.374 55.803 -0.155 0.000 0.819 256 Q CB 2.118 30.784 28.738 -0.120 0.000 1.356 256 Q HN 1.985 nan 8.270 nan 0.000 0.418 257 A N 1.813 124.615 122.820 -0.029 0.000 2.089 257 A HA -0.184 4.135 4.320 -0.001 0.000 0.265 257 A C -0.085 177.508 177.584 0.016 0.000 1.315 257 A CA 1.304 53.339 52.037 -0.004 0.000 0.768 257 A CB -1.521 17.472 19.000 -0.012 0.000 1.112 257 A HN 0.479 nan 8.150 nan 0.000 0.336 258 T N 0.848 115.433 114.554 0.052 0.000 2.929 258 T HA 0.699 5.049 4.350 -0.001 0.000 0.284 258 T C 0.234 174.956 174.700 0.037 0.000 1.014 258 T CA -0.239 61.900 62.100 0.064 0.000 1.051 258 T CB 1.263 70.218 68.868 0.146 0.000 1.028 258 T HN 0.422 nan 8.240 nan 0.000 0.485 259 I N 1.951 122.538 120.570 0.027 0.000 2.466 259 I HA 0.473 4.642 4.170 -0.001 0.000 0.289 259 I C -0.996 175.132 176.117 0.019 0.000 1.026 259 I CA -0.978 60.332 61.300 0.017 0.000 1.078 259 I CB 2.149 40.153 38.000 0.005 0.000 1.249 259 I HN 0.247 nan 8.210 nan 0.000 0.429 260 V N 5.158 125.079 119.914 0.012 0.000 2.385 260 V HA 0.464 4.584 4.120 -0.001 0.000 0.277 260 V C -0.259 175.833 176.094 -0.003 0.000 1.012 260 V CA -0.300 62.003 62.300 0.006 0.000 0.832 260 V CB 1.198 33.017 31.823 -0.007 0.000 1.028 260 V HN 0.881 nan 8.190 nan 0.000 0.436 261 S N 2.083 117.781 115.700 -0.003 0.000 2.651 261 S HA 0.807 5.276 4.470 -0.001 0.000 0.279 261 S C 0.713 175.295 174.600 -0.030 0.000 1.148 261 S CA 0.003 58.191 58.200 -0.019 0.000 0.837 261 S CB 1.887 65.080 63.200 -0.012 0.000 1.138 261 S HN 2.089 nan 8.310 nan 0.000 0.478 262 G N 1.233 109.998 108.800 -0.057 0.000 2.233 262 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.270 262 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.270 262 G C -0.183 174.650 174.900 -0.113 0.000 1.011 262 G CA 0.388 45.438 45.100 -0.083 0.000 0.762 262 G HN 0.832 nan 8.290 nan 0.000 0.511 263 N N -0.244 118.388 118.700 -0.113 0.000 2.466 263 N HA 0.482 5.222 4.740 -0.001 0.000 0.294 263 N C -0.213 175.201 175.510 -0.161 0.000 1.129 263 N CA -0.488 52.503 53.050 -0.097 0.000 0.931 263 N CB 1.006 39.462 38.487 -0.052 0.000 1.193 263 N HN 0.220 nan 8.380 nan 0.000 0.500 267 A N 1.233 123.981 122.820 -0.121 0.000 3.687 267 A HA 1.048 5.367 4.320 -0.001 0.000 0.164 267 A C 0.785 178.173 177.584 -0.326 0.000 1.564 267 A CA -0.135 51.824 52.037 -0.130 0.000 0.896 267 A CB 0.682 19.576 19.000 -0.176 0.000 1.731 267 A HN 1.961 nan 8.150 nan 0.000 0.607 268 G N -2.334 106.138 108.800 -0.546 0.000 2.519 268 G HA2 0.522 4.481 3.960 -0.001 0.000 0.307 268 G HA3 0.522 4.481 3.960 -0.001 0.000 0.307 268 G C -2.486 172.070 174.900 -0.573 0.000 1.266 268 G CA -1.294 43.129 45.100 -1.128 0.000 0.970 268 G HN 0.219 nan 8.290 nan 0.000 0.481 269 P HA -0.119 nan 4.420 nan 0.000 0.217 269 P C 0.737 177.894 177.300 -0.240 0.000 1.148 269 P CA 1.252 64.201 63.100 -0.252 0.000 0.834 269 P CB 0.361 31.953 31.700 -0.180 0.000 0.783 270 D N -1.872 118.394 120.400 -0.224 0.000 2.363 270 D HA 0.182 4.821 4.640 -0.001 0.000 0.214 270 D C 1.154 177.350 176.300 -0.174 0.000 1.093 270 D CA 0.371 54.284 54.000 -0.145 0.000 0.837 270 D CB 0.385 41.175 40.800 -0.017 0.000 0.948 270 D HN 0.134 nan 8.370 nan 0.000 0.507 271 G N 0.229 108.890 108.800 -0.232 0.000 2.788 271 G HA2 0.561 4.520 3.960 -0.001 0.000 0.293 271 G HA3 0.561 4.520 3.960 -0.001 0.000 0.293 271 G C -0.408 174.397 174.900 -0.159 0.000 1.305 271 G CA -0.587 44.388 45.100 -0.209 0.000 1.005 271 G HN -0.005 nan 8.290 nan 0.000 0.496 272 V N -2.491 117.348 119.914 -0.124 0.000 2.850 272 V HA 0.729 4.848 4.120 -0.001 0.000 0.315 272 V C 0.719 176.746 176.094 -0.113 0.000 1.064 272 V CA -0.112 62.130 62.300 -0.097 0.000 0.979 272 V CB 1.240 33.030 31.823 -0.055 0.000 1.039 272 V HN 0.698 nan 8.190 nan 0.000 0.452 273 T N 2.509 116.993 114.554 -0.116 0.000 2.967 273 T HA 0.259 4.609 4.350 -0.001 0.000 0.238 273 T C 0.204 174.834 174.700 -0.117 0.000 1.024 273 T CA 1.039 63.054 62.100 -0.142 0.000 1.234 273 T CB -0.143 68.619 68.868 -0.177 0.000 0.931 273 T HN 0.580 nan 8.240 nan 0.000 0.417 274 L N 1.865 123.030 121.223 -0.097 0.000 2.325 274 L HA 0.735 5.075 4.340 -0.001 0.000 0.281 274 L C -1.533 175.331 176.870 -0.011 0.000 1.004 274 L CA -1.026 53.778 54.840 -0.060 0.000 0.823 274 L CB 1.399 43.426 42.059 -0.052 0.000 1.236 274 L HN 0.158 nan 8.230 nan 0.000 0.415 275 L N 5.355 126.578 121.223 0.000 0.000 2.365 275 L HA 0.982 5.321 4.340 -0.001 0.000 0.273 275 L C -1.075 175.805 176.870 0.016 0.000 1.000 275 L CA -0.252 54.611 54.840 0.039 0.000 0.819 275 L CB 1.804 43.873 42.059 0.015 0.000 1.284 275 L HN 0.763 nan 8.230 nan 0.000 0.418 276 A N 4.108 126.966 122.820 0.064 0.000 2.359 276 A HA 0.757 5.076 4.320 -0.001 0.000 0.303 276 A C -1.097 176.475 177.584 -0.020 0.000 1.066 276 A CA -0.537 51.420 52.037 -0.134 0.000 0.730 276 A CB 0.929 19.666 19.000 -0.438 0.000 1.211 276 A HN 0.735 nan 8.150 nan 0.000 0.439 277 E N 2.608 122.849 120.200 0.068 0.000 2.129 277 E HA 0.303 4.653 4.350 -0.001 0.000 0.268 277 E C -0.766 175.897 176.600 0.105 0.000 0.900 277 E CA -0.979 55.472 56.400 0.085 0.000 0.755 277 E CB 0.901 30.639 29.700 0.063 0.000 1.117 277 E HN 0.649 nan 8.360 nan 0.000 0.410 278 N N 2.888 121.611 118.700 0.039 0.000 2.705 278 N HA -0.203 4.536 4.740 -0.001 0.000 0.255 278 N C -0.849 174.638 175.510 -0.039 0.000 1.008 278 N CA 0.912 53.959 53.050 -0.005 0.000 0.742 278 N CB -1.233 37.242 38.487 -0.020 0.000 0.906 278 N HN 0.599 nan 8.380 nan 0.000 0.541 279 H N 0.282 119.253 119.070 -0.164 0.000 2.483 279 H HA 0.409 4.965 4.556 -0.001 0.000 0.338 279 H C 0.180 175.402 175.328 -0.177 0.000 1.152 279 H CA -0.215 55.721 56.048 -0.187 0.000 1.264 279 H CB 1.870 31.468 29.762 -0.274 0.000 1.510 279 H HN 0.277 nan 8.280 nan 0.000 0.530 280 E N 0.096 120.252 120.200 -0.073 0.000 2.275 280 E HA 0.359 4.709 4.350 -0.001 0.000 0.270 280 E C 0.198 176.774 176.600 -0.039 0.000 0.882 280 E CA -0.095 56.268 56.400 -0.061 0.000 0.758 280 E CB 1.222 30.879 29.700 -0.071 0.000 1.195 280 E HN 0.818 nan 8.360 nan 0.000 0.419 281 G N 3.173 111.958 108.800 -0.026 0.000 2.143 281 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.248 281 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.248 281 G C -0.248 174.655 174.900 0.005 0.000 0.991 281 G CA 0.280 45.375 45.100 -0.009 0.000 0.689 281 G HN 0.534 nan 8.290 nan 0.000 0.522 282 L N 0.611 121.829 121.223 -0.008 0.000 2.410 282 L HA 0.660 5.000 4.340 -0.001 0.000 0.273 282 L C 0.343 177.223 176.870 0.016 0.000 1.152 282 L CA -0.247 54.587 54.840 -0.011 0.000 0.855 282 L CB 0.874 42.842 42.059 -0.151 0.000 1.129 282 L HN 0.205 nan 8.230 nan 0.000 0.463 283 L N 6.215 127.455 121.223 0.028 0.000 2.325 283 L HA 0.555 4.894 4.340 -0.001 0.000 0.281 283 L C -1.242 175.654 176.870 0.044 0.000 1.004 283 L CA -0.682 54.182 54.840 0.039 0.000 0.823 283 L CB 1.743 43.816 42.059 0.023 0.000 1.236 283 L HN 0.390 nan 8.230 nan 0.000 0.415 284 V N 3.173 123.125 119.914 0.064 0.000 2.376 284 V HA 0.580 4.699 4.120 -0.001 0.000 0.287 284 V C -0.087 176.016 176.094 0.014 0.000 1.015 284 V CA -0.373 61.955 62.300 0.046 0.000 0.834 284 V CB 1.815 33.691 31.823 0.089 0.000 1.001 284 V HN 0.864 nan 8.190 nan 0.000 0.428 285 T N 0.382 114.933 114.554 -0.006 0.000 2.894 285 T HA 0.626 4.975 4.350 -0.001 0.000 0.309 285 T C 0.591 175.270 174.700 -0.035 0.000 1.208 285 T CA 0.130 62.219 62.100 -0.018 0.000 1.016 285 T CB 1.750 70.613 68.868 -0.008 0.000 1.192 285 T HN 1.881 nan 8.240 nan 0.000 0.491 286 G N 2.243 111.017 108.800 -0.043 0.000 2.283 286 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.280 286 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.280 286 G C -0.100 174.746 174.900 -0.090 0.000 1.029 286 G CA 0.059 45.123 45.100 -0.059 0.000 0.840 286 G HN 0.993 nan 8.290 nan 0.000 0.505 287 N N 0.193 118.836 118.700 -0.094 0.000 2.456 287 N HA 0.300 5.040 4.740 -0.001 0.000 0.296 287 N C -0.771 174.658 175.510 -0.135 0.000 1.102 287 N CA -0.604 52.370 53.050 -0.128 0.000 0.924 287 N CB 1.092 39.511 38.487 -0.114 0.000 1.186 287 N HN 0.156 nan 8.380 nan 0.000 0.492 288 N N 2.586 121.187 118.700 -0.165 0.000 2.707 288 N HA 0.238 4.978 4.740 -0.001 0.000 0.235 288 N C -1.249 174.206 175.510 -0.093 0.000 1.028 288 N CA -0.298 52.706 53.050 -0.076 0.000 0.906 288 N CB 0.275 38.748 38.487 -0.024 0.000 1.131 288 N HN 0.425 nan 8.380 nan 0.000 0.509 289 L N 4.520 125.641 121.223 -0.169 0.000 2.260 289 L HA 0.459 4.799 4.340 -0.001 0.000 0.289 289 L C 0.006 176.718 176.870 -0.263 0.000 1.057 289 L CA -0.869 53.767 54.840 -0.340 0.000 0.811 289 L CB -0.079 41.822 42.059 -0.263 0.000 1.184 289 L HN 0.273 nan 8.230 nan 0.000 0.429 290 F N 2.004 121.876 119.950 -0.130 0.000 2.631 290 F HA 0.806 5.332 4.527 -0.001 0.000 0.350 290 F C -2.440 173.196 175.800 -0.272 0.000 1.080 290 F CA -3.838 54.044 58.000 -0.196 0.000 1.026 290 F CB -0.704 38.202 39.000 -0.156 0.000 1.347 290 F HN 0.159 nan 8.300 nan 0.000 0.501 291 P HA -0.048 nan 4.420 nan 0.000 0.262 291 P C -0.733 176.445 177.300 -0.204 0.000 1.151 291 P CA 0.691 63.529 63.100 -0.437 0.000 0.757 291 P CB 0.137 31.307 31.700 -0.885 0.000 0.754 292 R N 2.037 122.448 120.500 -0.148 0.000 2.593 292 R HA 0.429 4.769 4.340 -0.001 0.000 0.258 292 R C 0.349 176.611 176.300 -0.064 0.000 1.410 292 R CA -0.734 55.305 56.100 -0.102 0.000 1.537 292 R CB -0.070 30.232 30.300 0.004 0.000 1.362 292 R HN 0.434 nan 8.270 nan 0.000 0.734 293 G N 1.394 110.121 108.800 -0.123 0.000 2.732 293 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.244 293 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.244 293 G C 0.800 175.715 174.900 0.026 0.000 1.226 293 G CA -0.653 44.382 45.100 -0.108 0.000 0.860 293 G HN 0.618 nan 8.290 nan 0.000 0.583 294 R N -1.126 119.342 120.500 -0.053 0.000 2.148 294 R HA 0.081 4.421 4.340 -0.001 0.000 0.223 294 R C 0.794 177.095 176.300 0.002 0.000 1.088 294 R CA 1.187 57.252 56.100 -0.058 0.000 0.985 294 R CB -0.230 29.989 30.300 -0.135 0.000 0.880 294 R HN 0.474 nan 8.270 nan 0.000 0.451 295 S N -1.299 114.387 115.700 -0.023 0.000 2.607 295 S HA 0.407 4.877 4.470 -0.001 0.000 0.273 295 S C 0.283 174.844 174.600 -0.065 0.000 1.148 295 S CA -1.114 57.072 58.200 -0.023 0.000 0.833 295 S CB 1.676 64.860 63.200 -0.028 0.000 1.130 295 S HN 0.069 nan 8.310 nan 0.000 0.470 296 L N -0.224 120.950 121.223 -0.082 0.000 2.467 296 L HA 0.543 4.882 4.340 -0.001 0.000 0.213 296 L C -0.245 176.544 176.870 -0.134 0.000 1.053 296 L CA 0.468 55.231 54.840 -0.128 0.000 0.847 296 L CB 0.080 42.055 42.059 -0.140 0.000 1.075 296 L HN 0.569 nan 8.230 nan 0.000 0.479 297 I N 0.145 120.631 120.570 -0.140 0.000 2.512 297 I HA 0.239 4.408 4.170 -0.001 0.000 0.287 297 I C -0.885 175.107 176.117 -0.208 0.000 1.069 297 I CA -0.218 60.962 61.300 -0.200 0.000 1.056 297 I CB 2.605 40.423 38.000 -0.303 0.000 1.229 297 I HN -0.011 nan 8.210 nan 0.000 0.429 298 E N 6.449 126.580 120.200 -0.115 0.000 2.283 298 E HA 0.442 4.792 4.350 -0.001 0.000 0.258 298 E C -1.747 174.979 176.600 0.211 0.000 0.893 298 E CA -0.544 55.847 56.400 -0.014 0.000 0.798 298 E CB 1.312 31.020 29.700 0.013 0.000 1.242 298 E HN 0.240 nan 8.360 nan 0.000 0.414 299 F N 1.812 121.763 119.950 0.002 0.000 2.436 299 F HA 0.366 4.893 4.527 -0.000 0.000 0.340 299 F C 0.632 176.446 175.800 0.023 0.000 1.113 299 F CA -0.972 57.030 58.000 0.003 0.000 1.022 299 F CB 2.011 41.016 39.000 0.009 0.000 1.128 299 F HN 0.200 nan 8.300 nan 0.000 0.466 300 T N 1.050 115.720 114.554 0.193 0.000 2.815 300 T HA 0.509 4.859 4.350 -0.001 0.000 0.289 300 T C 0.575 175.325 174.700 0.084 0.000 1.000 300 T CA 0.129 62.303 62.100 0.123 0.000 0.958 300 T CB 0.499 69.418 68.868 0.084 0.000 0.944 300 T HN 1.062 nan 8.240 nan 0.000 0.442 301 G N 3.716 112.565 108.800 0.082 0.000 2.283 301 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.280 301 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.280 301 G C 0.452 175.366 174.900 0.023 0.000 1.029 301 G CA 0.150 45.280 45.100 0.049 0.000 0.840 301 G HN 0.962 nan 8.290 nan 0.000 0.505 302 C N 0.437 119.746 119.300 0.015 0.000 2.398 302 C HA 0.730 5.189 4.460 -0.001 0.000 0.364 302 C C 0.416 175.392 174.990 -0.022 0.000 1.219 302 C CA -1.008 57.968 59.018 -0.070 0.000 2.312 302 C CB 1.039 28.586 27.740 -0.321 0.000 2.428 302 C HN 0.591 nan 8.230 nan 0.000 0.564 303 N N 0.376 119.054 118.700 -0.036 0.000 2.240 303 N HA 0.417 5.157 4.740 -0.001 0.000 0.302 303 N C -0.499 175.005 175.510 -0.009 0.000 1.106 303 N CA -0.675 52.372 53.050 -0.005 0.000 0.778 303 N CB 1.326 39.810 38.487 -0.004 0.000 1.431 303 N HN 0.548 nan 8.380 nan 0.000 0.479 304 R N -1.079 119.430 120.500 0.015 0.000 3.416 304 R HA -0.157 4.182 4.340 -0.001 0.000 0.263 304 R C -0.560 175.750 176.300 0.016 0.000 1.053 304 R CA 0.466 56.576 56.100 0.017 0.000 0.705 304 R CB -2.408 27.895 30.300 0.005 0.000 1.124 304 R HN 0.537 nan 8.270 nan 0.000 0.444 305 C N -1.405 117.915 119.300 0.033 0.000 2.354 305 C HA 0.809 5.269 4.460 -0.001 0.000 0.381 305 C C 0.922 175.982 174.990 0.116 0.000 1.240 305 C CA -0.466 58.575 59.018 0.039 0.000 2.089 305 C CB 2.082 29.780 27.740 -0.069 0.000 2.234 305 C HN 0.538 nan 8.230 nan 0.000 0.544 306 S N -0.166 115.614 115.700 0.132 0.000 2.619 306 S HA 0.646 5.115 4.470 -0.001 0.000 0.280 306 S C -1.568 173.108 174.600 0.127 0.000 1.150 306 S CA -0.342 57.928 58.200 0.116 0.000 0.978 306 S CB 1.011 64.249 63.200 0.063 0.000 1.041 306 S HN 0.526 nan 8.310 nan 0.000 0.485 307 V N 5.243 125.212 119.914 0.091 0.000 2.305 307 V HA 0.547 4.667 4.120 -0.001 0.000 0.275 307 V C -0.359 175.734 176.094 -0.001 0.000 1.020 307 V CA -0.285 62.035 62.300 0.034 0.000 0.811 307 V CB 0.971 32.768 31.823 -0.043 0.000 1.031 307 V HN 0.960 nan 8.190 nan 0.000 0.439 308 T N 1.431 115.985 114.554 -0.001 0.000 2.900 308 T HA 0.469 4.818 4.350 -0.001 0.000 0.295 308 T C 0.225 174.914 174.700 -0.019 0.000 1.044 308 T CA -0.610 61.484 62.100 -0.010 0.000 0.995 308 T CB 1.707 70.576 68.868 0.002 0.000 1.072 308 T HN 0.585 nan 8.240 nan 0.000 0.473 309 S N 2.297 117.984 115.700 -0.022 0.000 3.711 309 S HA -0.139 4.331 4.470 -0.001 0.000 0.374 309 S C -0.020 174.559 174.600 -0.035 0.000 0.969 309 S CA 0.272 58.458 58.200 -0.023 0.000 1.198 309 S CB -1.403 61.786 63.200 -0.018 0.000 0.903 309 S HN 0.719 nan 8.310 nan 0.000 0.493 310 N N 0.979 119.653 118.700 -0.043 0.000 2.381 310 N HA 0.431 5.171 4.740 -0.001 0.000 0.294 310 N C -0.367 175.113 175.510 -0.049 0.000 1.216 310 N CA -0.832 52.183 53.050 -0.057 0.000 0.803 310 N CB 1.113 39.557 38.487 -0.073 0.000 1.372 310 N HN 0.163 nan 8.380 nan 0.000 0.500 311 R N 1.920 122.384 120.500 -0.059 0.000 2.288 311 R HA 0.390 4.730 4.340 -0.001 0.000 0.326 311 R C -1.596 174.669 176.300 -0.058 0.000 0.959 311 R CA -0.525 55.546 56.100 -0.050 0.000 0.834 311 R CB -0.066 30.196 30.300 -0.063 0.000 1.157 311 R HN 0.407 nan 8.270 nan 0.000 0.470 312 L N 3.509 124.703 121.223 -0.048 0.000 2.333 312 L HA 0.463 4.803 4.340 -0.001 0.000 0.280 312 L C -0.163 176.673 176.870 -0.056 0.000 1.004 312 L CA -0.150 54.645 54.840 -0.075 0.000 0.820 312 L CB 1.816 43.815 42.059 -0.100 0.000 1.247 312 L HN 0.520 nan 8.230 nan 0.000 0.416 313 Q N 1.917 121.662 119.800 -0.092 0.000 2.275 313 Q HA 0.720 5.060 4.340 -0.001 0.000 0.266 313 Q C -0.920 174.926 176.000 -0.255 0.000 1.002 313 Q CA -0.464 55.264 55.803 -0.124 0.000 0.761 313 Q CB 2.067 30.745 28.738 -0.100 0.000 1.255 313 Q HN 0.829 nan 8.270 nan 0.000 0.446 314 G N 1.317 109.961 108.800 -0.261 0.000 2.658 314 G HA2 0.563 4.523 3.960 -0.001 0.000 0.292 314 G HA3 0.563 4.523 3.960 -0.001 0.000 0.292 314 G C -0.893 173.785 174.900 -0.371 0.000 1.320 314 G CA -0.419 44.450 45.100 -0.385 0.000 0.933 314 G HN 0.552 nan 8.290 nan 0.000 0.476 315 F N -0.562 119.089 119.950 -0.497 0.000 2.682 315 F HA 0.431 4.957 4.527 -0.001 0.000 0.308 315 F C -0.364 175.115 175.800 -0.534 0.000 1.093 315 F CA -1.034 56.618 58.000 -0.580 0.000 1.244 315 F CB -0.072 38.467 39.000 -0.768 0.000 1.052 315 F HN 0.246 nan 8.300 nan 0.000 0.573 316 Y N -1.527 118.856 120.300 0.139 0.000 2.615 316 Y HA 0.606 5.155 4.550 -0.001 0.000 0.341 316 Y C -2.521 173.429 175.900 0.083 0.000 1.089 316 Y CA -4.095 54.058 58.100 0.089 0.000 1.049 316 Y CB -0.239 38.246 38.460 0.041 0.000 1.296 316 Y HN -0.317 nan 8.280 nan 0.000 0.470 317 P HA 0.231 nan 4.420 nan 0.000 0.268 317 P C 0.260 177.684 177.300 0.207 0.000 1.208 317 P CA 1.352 64.594 63.100 0.237 0.000 0.777 317 P CB 0.357 32.166 31.700 0.181 0.000 0.875 321 R N 4.537 125.025 120.500 -0.019 0.000 2.534 321 R HA 0.671 5.010 4.340 -0.001 0.000 0.301 321 R C -1.424 174.895 176.300 0.031 0.000 0.961 321 R CA -0.916 55.220 56.100 0.061 0.000 0.871 321 R CB 2.391 32.753 30.300 0.103 0.000 1.170 321 R HN 0.268 nan 8.270 nan 0.000 0.446 322 L N 4.912 126.196 121.223 0.102 0.000 2.337 322 L HA 0.427 4.766 4.340 -0.001 0.000 0.269 322 L C -0.952 176.016 176.870 0.164 0.000 1.018 322 L CA -0.004 54.911 54.840 0.126 0.000 0.876 322 L CB 1.121 43.237 42.059 0.095 0.000 1.236 322 L HN 0.460 nan 8.230 nan 0.000 0.436 323 L N 2.545 123.862 121.223 0.156 0.000 2.332 323 L HA 0.534 4.873 4.340 -0.001 0.000 0.269 323 L C 0.435 177.370 176.870 0.109 0.000 1.016 323 L CA -1.198 53.724 54.840 0.136 0.000 0.809 323 L CB 0.919 43.044 42.059 0.110 0.000 1.280 323 L HN 0.558 nan 8.230 nan 0.000 0.447 324 N N 0.775 119.529 118.700 0.090 0.000 2.669 324 N HA -0.169 4.571 4.740 -0.001 0.000 0.266 324 N C 0.393 175.940 175.510 0.060 0.000 1.024 324 N CA 0.419 53.509 53.050 0.067 0.000 0.766 324 N CB -1.050 37.472 38.487 0.058 0.000 0.898 324 N HN 1.096 nan 8.380 nan 0.000 0.548 325 G N -0.320 108.515 108.800 0.059 0.000 2.381 325 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.281 325 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.281 325 G C 0.163 175.097 174.900 0.056 0.000 0.984 325 G CA 0.020 45.149 45.100 0.049 0.000 1.339 325 G HN 0.628 nan 8.290 nan 0.000 0.485 326 C N 2.094 121.438 119.300 0.074 0.000 2.369 326 C HA 0.653 5.113 4.460 -0.001 0.000 0.358 326 C C 0.776 175.807 174.990 0.068 0.000 1.274 326 C CA -0.542 58.529 59.018 0.089 0.000 1.935 326 C CB 0.789 28.619 27.740 0.150 0.000 2.431 326 C HN 0.648 nan 8.230 nan 0.000 0.545 327 K N 1.824 122.256 120.400 0.055 0.000 2.259 327 K HA 0.382 4.702 4.320 -0.001 0.000 0.252 327 K C -0.058 176.569 176.600 0.044 0.000 0.936 327 K CA -0.410 55.903 56.287 0.043 0.000 0.810 327 K CB 1.270 33.788 32.500 0.029 0.000 1.143 327 K HN 0.723 nan 8.250 nan 0.000 0.427 328 E N 0.922 121.146 120.200 0.041 0.000 2.297 328 E HA -0.232 4.117 4.350 -0.001 0.000 0.228 328 E C -0.776 175.854 176.600 0.051 0.000 1.213 328 E CA 0.358 56.782 56.400 0.039 0.000 0.712 328 E CB -1.111 28.605 29.700 0.028 0.000 1.202 328 E HN 0.477 nan 8.360 nan 0.000 0.376 329 N N 0.642 119.385 118.700 0.071 0.000 2.456 329 N HA 0.455 5.195 4.740 -0.001 0.000 0.296 329 N C -0.704 174.854 175.510 0.079 0.000 1.102 329 N CA -0.724 52.384 53.050 0.098 0.000 0.924 329 N CB 1.585 40.173 38.487 0.168 0.000 1.186 329 N HN 0.015 nan 8.380 nan 0.000 0.492 330 L N 2.777 124.048 121.223 0.079 0.000 2.280 330 L HA 0.476 4.815 4.340 -0.001 0.000 0.287 330 L C -1.103 175.798 176.870 0.051 0.000 1.023 330 L CA -0.341 54.532 54.840 0.056 0.000 0.819 330 L CB 0.427 42.513 42.059 0.044 0.000 1.212 330 L HN 0.379 nan 8.230 nan 0.000 0.420 331 I N 4.933 125.523 120.570 0.033 0.000 2.464 331 I HA 0.429 4.599 4.170 -0.001 0.000 0.277 331 I C 0.010 176.131 176.117 0.008 0.000 1.040 331 I CA -0.121 61.184 61.300 0.009 0.000 1.153 331 I CB 0.702 38.702 38.000 -0.001 0.000 1.274 331 I HN 0.602 nan 8.210 nan 0.000 0.469 332 T N 3.467 118.020 114.554 -0.002 0.000 2.843 332 T HA 0.637 4.986 4.350 -0.001 0.000 0.302 332 T C 0.097 174.788 174.700 -0.015 0.000 1.232 332 T CA 0.387 62.486 62.100 -0.001 0.000 1.009 332 T CB 1.638 70.513 68.868 0.011 0.000 1.254 332 T HN 0.829 nan 8.240 nan 0.000 0.504 333 A N 2.503 125.315 122.820 -0.015 0.000 2.822 333 A HA -0.130 4.189 4.320 -0.001 0.000 0.287 333 A C 0.070 177.635 177.584 -0.032 0.000 1.479 333 A CA 0.874 52.901 52.037 -0.016 0.000 0.779 333 A CB -2.384 16.612 19.000 -0.006 0.000 1.022 333 A HN 0.710 nan 8.150 nan 0.000 0.532 334 N N 0.050 118.709 118.700 -0.068 0.000 2.370 334 N HA 0.384 5.123 4.740 -0.001 0.000 0.303 334 N C -0.772 174.667 175.510 -0.119 0.000 1.103 334 N CA -0.473 52.525 53.050 -0.087 0.000 0.848 334 N CB 0.948 39.359 38.487 -0.128 0.000 1.235 334 N HN 0.471 nan 8.380 nan 0.000 0.496 335 H N 2.163 121.136 119.070 -0.162 0.000 2.556 335 H HA 0.379 4.935 4.556 -0.001 0.000 0.310 335 H C -0.744 174.451 175.328 -0.221 0.000 1.057 335 H CA -0.257 55.688 56.048 -0.172 0.000 1.264 335 H CB 0.429 30.131 29.762 -0.100 0.000 1.404 335 H HN 0.469 nan 8.280 nan 0.000 0.462 336 I N 6.050 126.408 120.570 -0.354 0.000 2.359 336 I HA 0.183 4.353 4.170 -0.001 0.000 0.284 336 I C -0.031 176.008 176.117 -0.130 0.000 1.018 336 I CA -0.747 60.376 61.300 -0.294 0.000 1.173 336 I CB 0.870 38.478 38.000 -0.654 0.000 1.326 336 I HN 0.301 nan 8.210 nan 0.000 0.462 337 R N 6.034 126.558 120.500 0.040 0.000 2.310 337 R HA 0.559 4.899 4.340 -0.001 0.000 0.324 337 R C -0.916 175.403 176.300 0.032 0.000 0.955 337 R CA -0.678 55.470 56.100 0.080 0.000 0.830 337 R CB 0.910 31.299 30.300 0.150 0.000 1.154 337 R HN 0.542 nan 8.270 nan 0.000 0.458 338 R N 2.487 123.014 120.500 0.045 0.000 2.393 338 R HA 0.680 5.019 4.340 -0.001 0.000 0.310 338 R C -1.106 175.099 176.300 -0.160 0.000 0.968 338 R CA -0.124 55.962 56.100 -0.023 0.000 0.867 338 R CB 1.553 31.902 30.300 0.082 0.000 1.124 338 R HN 0.816 nan 8.270 nan 0.000 0.450 339 T N 1.836 116.340 114.554 -0.083 0.000 2.648 339 T HA 0.406 4.756 4.350 -0.001 0.000 0.304 339 T C -1.546 173.164 174.700 0.016 0.000 1.312 339 T CA -0.869 61.182 62.100 -0.082 0.000 1.023 339 T CB 0.569 69.453 68.868 0.025 0.000 1.612 339 T HN 0.756 nan 8.240 nan 0.000 0.487 340 N N 1.624 120.290 118.700 -0.057 0.000 2.487 340 N HA 0.307 5.047 4.740 -0.001 0.000 0.292 340 N C -0.466 174.710 175.510 -0.557 0.000 1.108 340 N CA -0.490 52.459 53.050 -0.169 0.000 0.956 340 N CB 1.210 39.619 38.487 -0.130 0.000 1.176 340 N HN 0.684 nan 8.380 nan 0.000 0.484 341 E N 0.482 120.116 120.200 -0.943 0.000 2.652 341 E HA 0.038 4.388 4.350 -0.001 0.000 0.255 341 E C 0.870 176.954 176.600 -0.860 0.000 0.952 341 E CA 0.498 55.871 56.400 -1.711 0.000 0.947 341 E CB -0.100 29.206 29.700 -0.657 0.000 0.912 341 E HN 0.742 nan 8.360 nan 0.000 0.489 342 G N 3.894 112.249 108.800 -0.742 0.000 2.921 342 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.213 342 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.213 342 G C -0.517 174.436 174.900 0.090 0.000 1.143 342 G CA -0.126 44.885 45.100 -0.149 0.000 0.764 342 G HN 0.556 nan 8.290 nan 0.000 0.542 343 Y N 1.915 122.218 120.300 0.006 0.000 2.434 343 Y HA 0.432 4.981 4.550 -0.001 0.000 0.341 343 Y C -1.584 174.392 175.900 0.127 0.000 0.965 343 Y CA -3.366 54.811 58.100 0.128 0.000 1.205 343 Y CB 1.984 40.605 38.460 0.268 0.000 1.121 343 Y HN -0.062 nan 8.280 nan 0.000 0.507 344 P HA -0.257 nan 4.420 nan 0.000 0.222 344 P C -1.324 175.820 177.300 -0.260 0.000 1.159 344 P CA 2.615 65.613 63.100 -0.170 0.000 0.920 344 P CB -0.592 31.003 31.700 -0.174 0.000 0.793 345 P HA -0.161 nan 4.420 nan 0.000 0.217 345 P C 0.837 177.756 177.300 -0.635 0.000 1.148 345 P CA 1.416 64.164 63.100 -0.587 0.000 0.834 345 P CB -0.475 30.749 31.700 -0.793 0.000 0.783 346 F N -2.408 117.530 119.950 -0.020 0.000 2.664 346 F HA 0.231 4.758 4.527 -0.001 0.000 0.303 346 F C 1.162 176.987 175.800 0.043 0.000 1.092 346 F CA -0.590 57.461 58.000 0.084 0.000 1.305 346 F CB -0.438 38.691 39.000 0.216 0.000 1.054 346 F HN -0.218 nan 8.300 nan 0.000 0.565 347 I N 0.399 121.011 120.570 0.070 0.000 2.648 347 I HA 0.217 4.387 4.170 -0.001 0.000 0.284 347 I C 1.465 177.607 176.117 0.041 0.000 1.153 347 I CA 0.945 62.265 61.300 0.032 0.000 1.426 347 I CB 0.203 38.188 38.000 -0.024 0.000 1.381 347 I HN 0.439 nan 8.210 nan 0.000 0.571 348 G N 4.385 113.218 108.800 0.056 0.000 2.194 348 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.236 348 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.236 348 G C 0.380 175.324 174.900 0.075 0.000 0.987 348 G CA -0.288 44.842 45.100 0.049 0.000 0.635 348 G HN 0.560 nan 8.290 nan 0.000 0.520 349 R N 0.610 121.193 120.500 0.138 0.000 2.577 349 R HA 0.655 4.995 4.340 -0.001 0.000 0.269 349 R C 0.877 177.222 176.300 0.075 0.000 1.084 349 R CA 1.073 57.249 56.100 0.127 0.000 1.163 349 R CB 0.955 31.396 30.300 0.235 0.000 1.100 349 R HN 0.689 nan 8.270 nan 0.000 0.547 350 G N -0.011 108.709 108.800 -0.134 0.000 2.749 350 G HA2 0.155 4.115 3.960 -0.001 0.000 0.300 350 G HA3 0.155 4.115 3.960 -0.001 0.000 0.300 350 G C -1.139 173.396 174.900 -0.608 0.000 1.352 350 G CA -0.490 44.379 45.100 -0.384 0.000 0.789 350 G HN 0.678 nan 8.290 nan 0.000 0.509 351 N N -1.459 116.891 118.700 -0.584 0.000 2.197 351 N HA 0.282 5.021 4.740 -0.001 0.000 0.228 351 N C 1.326 176.673 175.510 -0.272 0.000 1.212 351 N CA 0.835 53.616 53.050 -0.448 0.000 0.883 351 N CB 0.802 39.005 38.487 -0.474 0.000 1.107 351 N HN 1.889 nan 8.380 nan 0.000 0.519 352 G N 0.414 109.089 108.800 -0.208 0.000 2.189 352 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.267 352 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.267 352 G C -0.375 174.440 174.900 -0.142 0.000 0.975 352 G CA 0.673 45.686 45.100 -0.145 0.000 0.644 352 G HN 0.361 nan 8.290 nan 0.000 0.537 353 L N 1.081 122.201 121.223 -0.172 0.000 2.334 353 L HA 0.594 4.933 4.340 -0.001 0.000 0.275 353 L C 0.434 177.285 176.870 -0.032 0.000 1.036 353 L CA -0.860 53.876 54.840 -0.173 0.000 0.807 353 L CB 1.261 43.092 42.059 -0.379 0.000 1.231 353 L HN 0.369 nan 8.230 nan 0.000 0.438 354 D N -1.073 119.349 120.400 0.036 0.000 2.437 354 D HA 0.085 4.725 4.640 -0.001 0.000 0.259 354 D C 0.077 176.469 176.300 0.153 0.000 1.118 354 D CA -0.620 53.433 54.000 0.089 0.000 1.017 354 D CB 0.783 41.632 40.800 0.081 0.000 1.120 354 D HN 0.367 nan 8.370 nan 0.000 0.541 355 D N -0.507 119.984 120.400 0.152 0.000 2.371 355 D HA -0.001 4.639 4.640 -0.001 0.000 0.234 355 D C 1.189 177.576 176.300 0.145 0.000 1.049 355 D CA 0.410 54.516 54.000 0.176 0.000 0.907 355 D CB 0.259 41.164 40.800 0.175 0.000 0.891 355 D HN 0.347 nan 8.370 nan 0.000 0.531 356 L N -0.559 120.755 121.223 0.152 0.000 2.585 356 L HA 0.008 4.347 4.340 -0.001 0.000 0.226 356 L C 1.937 178.912 176.870 0.175 0.000 1.113 356 L CA -0.086 54.830 54.840 0.126 0.000 0.876 356 L CB -0.017 42.104 42.059 0.104 0.000 1.072 356 L HN -0.019 nan 8.230 nan 0.000 0.468 357 Y N 1.601 121.967 120.300 0.110 0.000 2.293 357 Y HA 0.105 4.654 4.550 -0.001 0.000 0.291 357 Y C 1.331 177.357 175.900 0.210 0.000 1.137 357 Y CA 0.871 59.076 58.100 0.174 0.000 1.202 357 Y CB 0.053 38.582 38.460 0.115 0.000 0.990 357 Y HN 0.119 nan 8.280 nan 0.000 0.537 358 G N -0.755 108.195 108.800 0.250 0.000 2.712 358 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.686 358 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.686 358 G C 0.399 175.445 174.900 0.243 0.000 1.181 358 G CA -0.269 44.921 45.100 0.149 0.000 0.762 358 G HN 0.881 nan 8.290 nan 0.000 0.641 359 V N -0.949 119.094 119.914 0.216 0.000 2.515 359 V HA 0.278 4.398 4.120 -0.001 0.000 0.250 359 V C 1.232 177.473 176.094 0.244 0.000 1.058 359 V CA 1.899 64.359 62.300 0.268 0.000 1.064 359 V CB -0.348 31.675 31.823 0.333 0.000 0.675 359 V HN 1.370 nan 8.190 nan 0.000 0.461 360 V N 2.268 122.311 119.914 0.215 0.000 2.407 360 V HA 0.470 4.589 4.120 -0.001 0.000 0.291 360 V C -0.728 175.418 176.094 0.086 0.000 1.018 360 V CA -0.531 61.870 62.300 0.169 0.000 0.842 360 V CB 1.068 33.028 31.823 0.230 0.000 0.996 360 V HN 0.626 nan 8.190 nan 0.000 0.426 361 H N 6.369 125.412 119.070 -0.046 0.000 2.551 361 H HA 0.535 5.090 4.556 -0.001 0.000 0.321 361 H C -1.435 173.827 175.328 -0.109 0.000 1.028 361 H CA -0.643 55.297 56.048 -0.179 0.000 1.215 361 H CB 1.528 31.041 29.762 -0.415 0.000 1.414 361 H HN 0.392 nan 8.280 nan 0.000 0.480 362 I N 4.031 124.442 120.570 -0.265 0.000 2.418 362 I HA 0.346 4.515 4.170 -0.001 0.000 0.287 362 I C -0.126 175.899 176.117 -0.153 0.000 1.008 362 I CA -0.700 60.531 61.300 -0.115 0.000 1.104 362 I CB 1.195 39.148 38.000 -0.077 0.000 1.264 362 I HN 0.627 nan 8.210 nan 0.000 0.438 363 A N 4.652 127.463 122.820 -0.015 0.000 2.545 363 A HA 0.887 5.207 4.320 -0.001 0.000 0.300 363 A C 0.052 177.656 177.584 0.032 0.000 1.252 363 A CA -0.099 51.940 52.037 0.003 0.000 0.753 363 A CB 1.066 20.115 19.000 0.080 0.000 1.144 363 A HN 1.040 nan 8.150 nan 0.000 0.457 364 G N 0.977 109.785 108.800 0.013 0.000 2.323 364 G HA2 0.479 4.438 3.960 -0.001 0.000 0.291 364 G HA3 0.479 4.438 3.960 -0.001 0.000 0.291 364 G C -2.218 172.691 174.900 0.016 0.000 1.278 364 G CA -0.671 44.444 45.100 0.026 0.000 0.860 364 G HN 0.460 nan 8.290 nan 0.000 0.504 365 D N 0.188 120.602 120.400 0.024 0.000 2.419 365 D HA 0.413 5.052 4.640 -0.001 0.000 0.234 365 D C 0.252 176.568 176.300 0.027 0.000 1.014 365 D CA -0.689 53.324 54.000 0.022 0.000 0.919 365 D CB 1.484 42.298 40.800 0.023 0.000 1.366 365 D HN 0.453 nan 8.370 nan 0.000 0.490 366 N N 0.866 119.582 118.700 0.027 0.000 2.696 366 N HA -0.164 4.576 4.740 -0.001 0.000 0.249 366 N C -0.629 174.899 175.510 0.030 0.000 1.090 366 N CA 0.632 53.699 53.050 0.028 0.000 0.716 366 N CB -0.765 37.738 38.487 0.027 0.000 1.020 366 N HN 0.446 nan 8.380 nan 0.000 0.548 367 N N 0.765 119.483 118.700 0.030 0.000 2.530 367 N HA 0.276 5.015 4.740 -0.001 0.000 0.277 367 N C 0.050 175.578 175.510 0.030 0.000 1.168 367 N CA -0.267 52.805 53.050 0.036 0.000 0.979 367 N CB 1.484 39.995 38.487 0.040 0.000 1.141 367 N HN 0.150 nan 8.380 nan 0.000 0.459 368 L N 2.968 124.211 121.223 0.034 0.000 2.324 368 L HA 0.465 4.804 4.340 -0.001 0.000 0.274 368 L C -1.269 175.622 176.870 0.035 0.000 1.012 368 L CA -0.479 54.380 54.840 0.030 0.000 0.859 368 L CB 0.393 42.469 42.059 0.028 0.000 1.224 368 L HN 0.340 nan 8.230 nan 0.000 0.429 369 I N 4.896 125.489 120.570 0.038 0.000 2.287 369 I HA 0.536 4.705 4.170 -0.001 0.000 0.290 369 I C 0.191 176.347 176.117 0.065 0.000 1.069 369 I CA 0.368 61.701 61.300 0.055 0.000 1.237 369 I CB 0.724 38.765 38.000 0.069 0.000 1.418 369 I HN 0.698 nan 8.210 nan 0.000 0.481 370 S N 2.189 117.924 115.700 0.059 0.000 2.671 370 S HA 0.578 5.048 4.470 -0.001 0.000 0.277 370 S C -0.203 174.428 174.600 0.052 0.000 1.165 370 S CA -0.913 57.323 58.200 0.059 0.000 0.822 370 S CB 1.444 64.668 63.200 0.040 0.000 1.150 370 S HN 0.564 nan 8.310 nan 0.000 0.479 371 D N 0.504 120.935 120.400 0.053 0.000 2.702 371 D HA -0.159 4.481 4.640 -0.001 0.000 0.233 371 D C -0.794 175.520 176.300 0.024 0.000 1.164 371 D CA 0.933 54.956 54.000 0.039 0.000 0.638 371 D CB -1.588 39.225 40.800 0.022 0.000 1.041 371 D HN 0.533 nan 8.370 nan 0.000 0.422 372 N N 0.220 118.948 118.700 0.045 0.000 2.384 372 N HA 0.520 5.259 4.740 -0.001 0.000 0.301 372 N C -0.551 174.930 175.510 -0.049 0.000 1.133 372 N CA -0.601 52.412 53.050 -0.061 0.000 0.853 372 N CB 1.631 40.041 38.487 -0.129 0.000 1.241 372 N HN 0.211 nan 8.380 nan 0.000 0.502 373 L N 2.098 123.175 121.223 -0.244 0.000 2.319 373 L HA 0.494 4.834 4.340 -0.001 0.000 0.281 373 L C -1.330 175.256 176.870 -0.474 0.000 1.005 373 L CA -0.671 54.033 54.840 -0.227 0.000 0.828 373 L CB 0.314 42.221 42.059 -0.253 0.000 1.227 373 L HN 0.358 nan 8.230 nan 0.000 0.415 374 F N 4.202 123.991 119.950 -0.269 0.000 2.385 374 F HA 0.533 5.059 4.527 -0.001 0.000 0.360 374 F C 0.605 176.280 175.800 -0.209 0.000 1.122 374 F CA -0.484 57.382 58.000 -0.223 0.000 1.090 374 F CB 1.642 40.535 39.000 -0.178 0.000 1.150 374 F HN 0.468 nan 8.300 nan 0.000 0.472 375 A N 4.534 127.354 122.820 0.000 0.000 2.328 375 A HA 0.495 4.814 4.320 -0.001 0.000 0.318 375 A C -1.798 175.875 177.584 0.148 0.000 1.347 375 A CA -0.526 51.544 52.037 0.055 0.000 0.842 375 A CB -0.073 18.980 19.000 0.087 0.000 1.148 375 A HN 0.656 nan 8.150 nan 0.000 0.499 376 Y N 2.670 122.984 120.300 0.023 0.000 2.334 376 Y HA 0.477 5.027 4.550 -0.001 0.000 0.336 376 Y C -0.220 175.703 175.900 0.038 0.000 0.960 376 Y CA -0.699 57.427 58.100 0.043 0.000 1.164 376 Y CB 1.208 39.690 38.460 0.037 0.000 1.155 376 Y HN 0.682 nan 8.280 nan 0.000 0.478 377 N N 5.981 124.574 118.700 -0.179 0.000 2.617 377 N HA 0.556 5.296 4.740 -0.001 0.000 0.263 377 N C -2.255 173.113 175.510 -0.237 0.000 1.074 377 N CA -0.327 52.666 53.050 -0.095 0.000 0.841 377 N CB 0.916 39.389 38.487 -0.023 0.000 1.221 377 N HN 0.379 nan 8.380 nan 0.000 0.529 378 V N 3.798 123.596 119.914 -0.194 0.000 2.733 378 V HA 0.430 4.549 4.120 -0.001 0.000 0.306 378 V C -2.320 173.790 176.094 0.027 0.000 1.084 378 V CA -1.679 60.534 62.300 -0.145 0.000 0.905 378 V CB 2.020 33.670 31.823 -0.288 0.000 1.010 378 V HN 0.577 nan 8.190 nan 0.000 0.424 379 P HA 0.078 nan 4.420 nan 0.000 0.260 379 P C -2.026 175.312 177.300 0.063 0.000 1.172 379 P CA -0.529 62.592 63.100 0.035 0.000 0.760 379 P CB 0.289 31.998 31.700 0.016 0.000 0.773 380 P HA -0.263 nan 4.420 nan 0.000 0.218 380 P C 1.071 178.407 177.300 0.061 0.000 1.152 380 P CA 1.976 65.119 63.100 0.071 0.000 0.857 380 P CB -0.206 31.526 31.700 0.054 0.000 0.787 381 A N -1.405 121.443 122.820 0.046 0.000 2.167 381 A HA -0.074 4.245 4.320 -0.001 0.000 0.214 381 A C 1.788 179.397 177.584 0.042 0.000 1.151 381 A CA 1.098 53.158 52.037 0.039 0.000 0.735 381 A CB -0.767 18.250 19.000 0.027 0.000 0.802 381 A HN 0.152 nan 8.150 nan 0.000 0.467 382 N N -0.376 118.354 118.700 0.051 0.000 2.236 382 N HA 0.195 4.935 4.740 -0.001 0.000 0.196 382 N C -0.169 175.389 175.510 0.081 0.000 1.114 382 N CA 0.092 53.175 53.050 0.054 0.000 0.859 382 N CB 0.409 38.920 38.487 0.040 0.000 0.982 382 N HN 0.429 nan 8.380 nan 0.000 0.493 383 I N 1.613 122.239 120.570 0.094 0.000 2.379 383 I HA 0.137 4.306 4.170 -0.001 0.000 0.290 383 I C 0.344 176.516 176.117 0.092 0.000 1.063 383 I CA -0.410 60.962 61.300 0.121 0.000 1.351 383 I CB 0.744 38.826 38.000 0.136 0.000 1.410 383 I HN -0.079 nan 8.210 nan 0.000 0.505 384 A N 9.145 132.025 122.820 0.099 0.000 2.260 384 A HA 0.658 4.977 4.320 -0.001 0.000 0.308 384 A C -2.556 175.075 177.584 0.078 0.000 1.254 384 A CA -1.512 50.572 52.037 0.078 0.000 0.874 384 A CB 0.316 19.360 19.000 0.073 0.000 1.153 384 A HN 0.363 nan 8.150 nan 0.000 0.527 385 P HA 0.360 nan 4.420 nan 0.000 0.281 385 P C -0.116 177.210 177.300 0.045 0.000 1.249 385 P CA -0.125 63.003 63.100 0.047 0.000 0.810 385 P CB 1.244 32.969 31.700 0.041 0.000 1.008 386 A N 2.510 125.353 122.820 0.038 0.000 2.567 386 A HA 0.365 4.685 4.320 -0.001 0.000 0.240 386 A C 1.530 179.133 177.584 0.032 0.000 1.053 386 A CA 1.201 53.259 52.037 0.035 0.000 0.755 386 A CB -1.603 17.413 19.000 0.028 0.000 0.978 386 A HN 0.863 nan 8.150 nan 0.000 0.507 387 G N 1.024 109.843 108.800 0.033 0.000 2.241 387 G HA2 0.122 4.082 3.960 -0.001 0.000 0.244 387 G HA3 0.122 4.082 3.960 -0.001 0.000 0.244 387 G C 0.670 175.587 174.900 0.028 0.000 0.998 387 G CA 0.547 45.663 45.100 0.027 0.000 0.621 387 G HN 2.260 nan 8.290 nan 0.000 0.519 388 A N 0.295 123.135 122.820 0.034 0.000 2.371 388 A HA 0.663 4.982 4.320 -0.001 0.000 0.257 388 A C 0.469 178.067 177.584 0.023 0.000 1.089 388 A CA 0.193 52.249 52.037 0.031 0.000 0.794 388 A CB 0.352 19.376 19.000 0.040 0.000 1.029 388 A HN 0.460 nan 8.150 nan 0.000 0.488 389 Q N 1.295 121.098 119.800 0.005 0.000 2.279 389 Q HA 0.265 4.604 4.340 -0.001 0.000 0.256 389 Q C -2.313 173.656 176.000 -0.051 0.000 0.937 389 Q CA -1.605 54.183 55.803 -0.026 0.000 0.933 389 Q CB 0.760 29.478 28.738 -0.034 0.000 1.189 389 Q HN 0.436 nan 8.270 nan 0.000 0.417 390 P HA -0.025 nan 4.420 nan 0.000 0.266 390 P C -0.966 176.211 177.300 -0.205 0.000 1.195 390 P CA 0.345 63.323 63.100 -0.204 0.000 0.768 390 P CB 0.629 31.974 31.700 -0.592 0.000 0.838 391 T N 4.108 118.590 114.554 -0.120 0.000 2.743 391 T HA 0.121 4.471 4.350 -0.001 0.000 0.292 391 T C 1.086 175.708 174.700 -0.130 0.000 0.972 391 T CA -0.397 61.639 62.100 -0.106 0.000 0.967 391 T CB 0.891 69.734 68.868 -0.041 0.000 0.926 391 T HN 0.297 nan 8.240 nan 0.000 0.459 392 Q N 2.251 121.918 119.800 -0.223 0.000 1.994 392 Q HA 0.203 4.542 4.340 -0.001 0.000 0.198 392 Q C 0.537 176.369 176.000 -0.280 0.000 0.976 392 Q CA 1.207 56.817 55.803 -0.321 0.000 0.828 392 Q CB 0.182 28.520 28.738 -0.667 0.000 0.894 392 Q HN 0.651 nan 8.270 nan 0.000 0.432 393 I N 1.327 121.719 120.570 -0.297 0.000 2.418 393 I HA 0.232 4.402 4.170 -0.001 0.000 0.287 393 I C -1.060 174.970 176.117 -0.145 0.000 1.008 393 I CA -0.911 60.274 61.300 -0.191 0.000 1.104 393 I CB 1.941 39.811 38.000 -0.216 0.000 1.264 393 I HN -0.013 nan 8.210 nan 0.000 0.438 394 L N 8.349 129.486 121.223 -0.143 0.000 2.325 394 L HA 0.552 4.891 4.340 -0.001 0.000 0.281 394 L C -0.861 175.852 176.870 -0.262 0.000 1.004 394 L CA -0.260 54.464 54.840 -0.192 0.000 0.823 394 L CB 1.279 43.206 42.059 -0.221 0.000 1.236 394 L HN 0.346 nan 8.230 nan 0.000 0.415 395 I N 6.277 126.729 120.570 -0.197 0.000 2.316 395 I HA 0.265 4.435 4.170 -0.001 0.000 0.286 395 I C 1.403 177.407 176.117 -0.189 0.000 1.107 395 I CA -0.108 61.084 61.300 -0.180 0.000 1.219 395 I CB 0.234 38.170 38.000 -0.107 0.000 1.455 395 I HN 0.848 nan 8.210 nan 0.000 0.498 396 A N 4.696 127.330 122.820 -0.310 0.000 1.940 396 A HA 0.223 4.542 4.320 -0.001 0.000 0.219 396 A C 1.183 178.701 177.584 -0.109 0.000 1.176 396 A CA 1.478 53.366 52.037 -0.248 0.000 0.631 396 A CB -0.179 18.599 19.000 -0.371 0.000 0.814 396 A HN 0.752 nan 8.150 nan 0.000 0.446 397 G N -4.458 104.286 108.800 -0.093 0.000 2.489 397 G HA2 0.626 4.586 3.960 -0.001 0.000 0.291 397 G HA3 0.626 4.586 3.960 -0.001 0.000 0.291 397 G C -0.330 174.543 174.900 -0.045 0.000 1.487 397 G CA 0.097 45.166 45.100 -0.052 0.000 0.795 397 G HN 1.859 nan 8.290 nan 0.000 0.513 398 G N -0.603 108.175 108.800 -0.037 0.000 2.357 398 G HA2 0.473 4.432 3.960 -0.001 0.000 0.643 398 G HA3 0.473 4.432 3.960 -0.001 0.000 0.643 398 G C -1.710 173.169 174.900 -0.035 0.000 1.358 398 G CA 0.071 45.155 45.100 -0.026 0.000 0.986 398 G HN 1.106 nan 8.290 nan 0.000 0.620 399 D N -0.541 119.851 120.400 -0.013 0.000 2.350 399 D HA 0.756 5.395 4.640 -0.001 0.000 0.245 399 D C 0.793 177.113 176.300 0.033 0.000 1.036 399 D CA 1.076 55.077 54.000 0.002 0.000 0.848 399 D CB 1.467 42.285 40.800 0.031 0.000 1.307 399 D HN 2.125 nan 8.370 nan 0.000 0.469 400 A N 2.715 125.572 122.820 0.061 0.000 2.899 400 A HA -0.239 4.080 4.320 -0.001 0.000 0.257 400 A C 0.134 177.738 177.584 0.034 0.000 1.335 400 A CA 0.457 52.533 52.037 0.065 0.000 0.924 400 A CB -2.422 16.616 19.000 0.063 0.000 1.105 400 A HN 0.647 nan 8.150 nan 0.000 0.765 401 N N -0.390 118.320 118.700 0.017 0.000 2.492 401 N HA 0.357 5.096 4.740 -0.001 0.000 0.260 401 N C -0.246 175.269 175.510 0.009 0.000 1.215 401 N CA 0.681 53.736 53.050 0.008 0.000 0.923 401 N CB 1.136 39.618 38.487 -0.008 0.000 1.092 401 N HN 0.302 nan 8.380 nan 0.000 0.448 402 V N 2.392 122.312 119.914 0.011 0.000 2.487 402 V HA 0.308 4.427 4.120 -0.001 0.000 0.298 402 V C -0.028 176.072 176.094 0.011 0.000 1.028 402 V CA -0.744 61.563 62.300 0.011 0.000 0.860 402 V CB 1.936 33.768 31.823 0.016 0.000 0.991 402 V HN 0.288 nan 8.190 nan 0.000 0.427 403 V N 4.411 124.328 119.914 0.005 0.000 2.349 403 V HA 0.844 4.964 4.120 -0.001 0.000 0.284 403 V C 0.175 176.277 176.094 0.014 0.000 1.014 403 V CA -0.268 62.038 62.300 0.009 0.000 0.826 403 V CB 1.315 33.131 31.823 -0.011 0.000 1.009 403 V HN 0.999 nan 8.190 nan 0.000 0.431 404 A N 3.887 126.724 122.820 0.028 0.000 2.435 404 A HA 0.854 5.173 4.320 -0.001 0.000 0.304 404 A C -0.391 177.220 177.584 0.045 0.000 1.064 404 A CA -1.007 51.048 52.037 0.029 0.000 0.727 404 A CB 1.393 20.406 19.000 0.022 0.000 1.284 404 A HN 1.444 nan 8.150 nan 0.000 0.415 405 L N 1.293 122.543 121.223 0.045 0.000 3.844 405 L HA -0.173 4.167 4.340 -0.001 0.000 0.580 405 L C -1.185 175.739 176.870 0.090 0.000 1.156 405 L CA 0.617 55.491 54.840 0.056 0.000 0.848 405 L CB -1.533 40.550 42.059 0.039 0.000 1.283 405 L HN 0.718 nan 8.230 nan 0.000 0.803 406 N N 2.292 121.061 118.700 0.115 0.000 2.491 406 N HA 0.245 4.985 4.740 -0.001 0.000 0.274 406 N C -0.838 174.785 175.510 0.187 0.000 1.023 406 N CA -0.547 52.612 53.050 0.182 0.000 0.902 406 N CB 1.229 39.822 38.487 0.177 0.000 1.267 406 N HN 0.532 nan 8.380 nan 0.000 0.503 407 H N 2.381 121.505 119.070 0.091 0.000 2.604 407 H HA 0.314 4.869 4.556 -0.001 0.000 0.306 407 H C -0.842 174.493 175.328 0.011 0.000 1.075 407 H CA -0.412 55.658 56.048 0.036 0.000 1.357 407 H CB 0.988 30.765 29.762 0.025 0.000 1.426 407 H HN 0.108 nan 8.280 nan 0.000 0.470 408 V N 6.396 126.053 119.914 -0.429 0.000 2.483 408 V HA 0.247 4.367 4.120 -0.001 0.000 0.295 408 V C -0.326 175.433 176.094 -0.558 0.000 1.035 408 V CA -0.684 61.275 62.300 -0.569 0.000 0.896 408 V CB 1.727 32.843 31.823 -1.179 0.000 0.986 408 V HN 0.524 nan 8.190 nan 0.000 0.447 409 V N 3.940 123.650 119.914 -0.341 0.000 2.525 409 V HA 0.783 4.903 4.120 -0.001 0.000 0.299 409 V C -0.326 175.747 176.094 -0.036 0.000 1.034 409 V CA -0.306 61.879 62.300 -0.191 0.000 0.863 409 V CB 1.856 33.588 31.823 -0.153 0.000 0.999 409 V HN 1.033 nan 8.190 nan 0.000 0.423 410 S N 1.245 116.953 115.700 0.013 0.000 2.550 410 S HA 0.415 4.885 4.470 -0.001 0.000 0.270 410 S C 0.151 174.813 174.600 0.103 0.000 1.145 410 S CA -0.399 57.867 58.200 0.109 0.000 0.852 410 S CB 2.028 65.276 63.200 0.081 0.000 1.119 410 S HN 0.760 nan 8.310 nan 0.000 0.465 411 D N 0.709 121.197 120.400 0.146 0.000 2.348 411 D HA -0.002 4.638 4.640 -0.001 0.000 0.216 411 D C 1.009 177.366 176.300 0.095 0.000 0.970 411 D CA 0.872 54.936 54.000 0.106 0.000 0.889 411 D CB -0.408 40.453 40.800 0.103 0.000 0.912 411 D HN 0.707 nan 8.370 nan 0.000 0.524 412 V N -3.744 116.233 119.914 0.105 0.000 3.102 412 V HA 0.812 4.931 4.120 -0.001 0.000 0.312 412 V C -0.140 175.970 176.094 0.027 0.000 1.135 412 V CA -1.317 61.024 62.300 0.067 0.000 1.022 412 V CB 1.276 33.152 31.823 0.088 0.000 1.056 412 V HN 0.117 nan 8.190 nan 0.000 0.436 413 A N 1.717 124.545 122.820 0.014 0.000 2.546 413 A HA 0.591 4.910 4.320 -0.001 0.000 0.243 413 A C 0.427 177.991 177.584 -0.032 0.000 1.063 413 A CA 0.924 52.958 52.037 -0.004 0.000 0.757 413 A CB -0.267 18.727 19.000 -0.009 0.000 0.991 413 A HN 1.855 nan 8.150 nan 0.000 0.503 414 S N 1.727 117.408 115.700 -0.031 0.000 2.546 414 S HA 0.483 4.953 4.470 -0.001 0.000 0.274 414 S C -1.186 173.406 174.600 -0.013 0.000 1.121 414 S CA -0.725 57.433 58.200 -0.070 0.000 0.887 414 S CB 1.338 64.442 63.200 -0.159 0.000 1.094 414 S HN 0.651 nan 8.310 nan 0.000 0.474 415 Q N 2.893 122.657 119.800 -0.060 0.000 2.377 415 Q HA 0.279 4.618 4.340 -0.001 0.000 0.249 415 Q C 0.919 176.903 176.000 -0.026 0.000 1.005 415 Q CA -0.006 55.756 55.803 -0.069 0.000 0.912 415 Q CB 0.411 29.093 28.738 -0.094 0.000 1.223 415 Q HN 0.869 nan 8.270 nan 0.000 0.459 416 H N 0.191 119.137 119.070 -0.207 0.000 2.352 416 H HA -0.018 4.537 4.556 -0.001 0.000 0.299 416 H C 0.203 175.361 175.328 -0.284 0.000 1.097 416 H CA 0.673 56.559 56.048 -0.269 0.000 1.311 416 H CB 0.752 30.383 29.762 -0.218 0.000 1.377 416 H HN 0.174 nan 8.280 nan 0.000 0.504 417 V N 1.159 121.025 119.914 -0.079 0.000 2.808 417 V HA 0.264 4.383 4.120 -0.001 0.000 0.308 417 V C -0.707 175.307 176.094 -0.133 0.000 1.099 417 V CA -0.774 61.452 62.300 -0.123 0.000 0.920 417 V CB 2.776 34.536 31.823 -0.104 0.000 1.014 417 V HN -0.117 nan 8.190 nan 0.000 0.425 418 V N 5.306 125.142 119.914 -0.131 0.000 2.531 418 V HA 0.510 4.630 4.120 -0.001 0.000 0.301 418 V C -0.817 175.209 176.094 -0.112 0.000 1.034 418 V CA -0.548 61.669 62.300 -0.139 0.000 0.865 418 V CB 2.003 33.773 31.823 -0.088 0.000 0.995 418 V HN 0.585 nan 8.190 nan 0.000 0.424 419 L N 4.058 125.207 121.223 -0.124 0.000 2.280 419 L HA 0.500 4.839 4.340 -0.001 0.000 0.287 419 L C 0.198 177.092 176.870 0.039 0.000 1.023 419 L CA -0.011 54.790 54.840 -0.066 0.000 0.819 419 L CB 1.388 43.402 42.059 -0.076 0.000 1.212 419 L HN 0.689 nan 8.230 nan 0.000 0.420 420 D N 2.353 122.795 120.400 0.069 0.000 2.372 420 D HA 0.117 4.756 4.640 -0.001 0.000 0.243 420 D C 0.974 177.342 176.300 0.113 0.000 1.121 420 D CA 0.016 54.107 54.000 0.152 0.000 0.898 420 D CB 2.133 42.951 40.800 0.030 0.000 1.202 420 D HN 0.661 nan 8.370 nan 0.000 0.428 421 A N 2.803 125.688 122.820 0.108 0.000 2.194 421 A HA -0.151 4.168 4.320 -0.001 0.000 0.220 421 A C 2.140 179.724 177.584 -0.001 0.000 1.162 421 A CA 1.399 53.467 52.037 0.052 0.000 0.674 421 A CB -0.151 18.835 19.000 -0.025 0.000 0.789 421 A HN 0.523 nan 8.150 nan 0.000 0.470 422 S N -0.524 115.167 115.700 -0.014 0.000 2.425 422 S HA -0.012 4.458 4.470 -0.001 0.000 0.225 422 S C 1.308 175.879 174.600 -0.049 0.000 1.024 422 S CA 0.736 58.917 58.200 -0.031 0.000 0.951 422 S CB -0.450 62.733 63.200 -0.029 0.000 0.796 422 S HN 0.853 nan 8.310 nan 0.000 0.498 423 T N 2.443 116.969 114.554 -0.046 0.000 2.937 423 T HA 0.326 4.675 4.350 -0.001 0.000 0.316 423 T C 0.010 174.638 174.700 -0.121 0.000 1.079 423 T CA -0.197 61.860 62.100 -0.071 0.000 1.131 423 T CB 0.646 69.480 68.868 -0.056 0.000 1.000 423 T HN 0.293 nan 8.240 nan 0.000 0.549 424 T N -0.928 113.515 114.554 -0.185 0.000 2.912 424 T HA 0.421 4.771 4.350 -0.001 0.000 0.299 424 T C -0.334 174.162 174.700 -0.341 0.000 1.052 424 T CA -0.961 60.894 62.100 -0.409 0.000 0.996 424 T CB 0.978 69.447 68.868 -0.666 0.000 1.070 424 T HN 0.887 nan 8.240 nan 0.000 0.465 425 H N -0.790 118.276 119.070 -0.006 0.000 2.776 425 H HA -0.135 4.420 4.556 -0.001 0.000 0.300 425 H C 0.311 175.633 175.328 -0.011 0.000 1.161 425 H CA 0.685 56.728 56.048 -0.008 0.000 1.147 425 H CB -2.502 27.257 29.762 -0.005 0.000 1.366 425 H HN 0.728 nan 8.280 nan 0.000 0.397 426 S N 0.948 116.674 115.700 0.043 0.000 2.614 426 S HA 0.455 4.924 4.470 -0.001 0.000 0.265 426 S C 0.911 175.522 174.600 0.019 0.000 1.303 426 S CA -0.662 57.548 58.200 0.017 0.000 1.000 426 S CB 1.767 64.957 63.200 -0.018 0.000 0.935 426 S HN 0.197 nan 8.310 nan 0.000 0.551 427 K N 1.414 121.819 120.400 0.008 0.000 2.471 427 K HA 0.513 4.833 4.320 -0.001 0.000 0.252 427 K C -1.663 174.933 176.600 -0.007 0.000 0.938 427 K CA -0.550 55.739 56.287 0.004 0.000 0.796 427 K CB 2.018 34.524 32.500 0.010 0.000 1.161 427 K HN 0.355 nan 8.250 nan 0.000 0.425 428 V N 4.697 124.603 119.914 -0.014 0.000 2.409 428 V HA 0.466 4.585 4.120 -0.001 0.000 0.290 428 V C -0.498 175.588 176.094 -0.013 0.000 1.017 428 V CA -0.836 61.453 62.300 -0.019 0.000 0.841 428 V CB 1.365 33.166 31.823 -0.037 0.000 1.003 428 V HN 0.546 nan 8.190 nan 0.000 0.426 429 L N 3.388 124.609 121.223 -0.003 0.000 2.365 429 L HA 0.649 4.988 4.340 -0.001 0.000 0.273 429 L C -0.111 176.766 176.870 0.012 0.000 1.000 429 L CA -0.949 53.893 54.840 0.002 0.000 0.819 429 L CB 1.833 43.895 42.059 0.005 0.000 1.284 429 L HN 0.546 nan 8.230 nan 0.000 0.418 430 D N 1.471 121.878 120.400 0.012 0.000 2.720 430 D HA -0.174 4.466 4.640 -0.001 0.000 0.229 430 D C 0.310 176.639 176.300 0.049 0.000 1.198 430 D CA 1.017 55.032 54.000 0.026 0.000 0.639 430 D CB -0.781 40.033 40.800 0.023 0.000 1.003 430 D HN 0.610 nan 8.370 nan 0.000 0.411 431 S N -0.643 115.086 115.700 0.048 0.000 2.952 431 S HA 0.536 5.005 4.470 -0.001 0.000 0.251 431 S C 0.648 175.336 174.600 0.147 0.000 1.021 431 S CA -0.008 58.240 58.200 0.080 0.000 1.067 431 S CB 1.729 64.948 63.200 0.030 0.000 1.002 431 S HN 0.846 nan 8.310 nan 0.000 0.574 432 G N 0.680 109.534 108.800 0.090 0.000 2.326 432 G HA2 0.171 4.131 3.960 -0.001 0.000 0.413 432 G HA3 0.171 4.131 3.960 -0.001 0.000 0.413 432 G C -0.711 174.126 174.900 -0.105 0.000 1.444 432 G CA -0.955 44.126 45.100 -0.033 0.000 1.002 432 G HN 0.051 nan 8.290 nan 0.000 0.649 433 T N 0.671 115.127 114.554 -0.163 0.000 2.788 433 T HA 0.505 4.855 4.350 -0.001 0.000 0.287 433 T C 2.068 176.687 174.700 -0.136 0.000 1.007 433 T CA 0.771 62.801 62.100 -0.116 0.000 1.005 433 T CB 1.298 70.105 68.868 -0.102 0.000 1.012 433 T HN 1.689 nan 8.240 nan 0.000 0.530 434 A N 1.125 123.886 122.820 -0.099 0.000 2.024 434 A HA -0.102 4.217 4.320 -0.001 0.000 0.220 434 A C 2.279 179.792 177.584 -0.117 0.000 1.164 434 A CA 1.878 53.856 52.037 -0.097 0.000 0.643 434 A CB -0.883 18.074 19.000 -0.071 0.000 0.806 434 A HN 0.811 nan 8.150 nan 0.000 0.451 435 S N -1.498 114.128 115.700 -0.123 0.000 2.575 435 S HA 0.084 4.553 4.470 -0.001 0.000 0.215 435 S C 1.155 175.652 174.600 -0.171 0.000 0.966 435 S CA 0.431 58.556 58.200 -0.124 0.000 0.911 435 S CB -0.030 63.113 63.200 -0.094 0.000 0.780 435 S HN 0.678 nan 8.310 nan 0.000 0.514 436 Q N 0.443 120.094 119.800 -0.248 0.000 2.219 436 Q HA 0.465 4.804 4.340 -0.001 0.000 0.209 436 Q C -0.590 175.231 176.000 -0.299 0.000 0.854 436 Q CA 0.085 55.659 55.803 -0.381 0.000 0.960 436 Q CB 0.605 28.850 28.738 -0.822 0.000 1.116 436 Q HN 0.580 nan 8.270 nan 0.000 0.500 437 I N 0.643 121.086 120.570 -0.212 0.000 2.447 437 I HA 0.291 4.461 4.170 -0.001 0.000 0.287 437 I C -0.617 175.387 176.117 -0.188 0.000 1.023 437 I CA -0.533 60.662 61.300 -0.175 0.000 1.083 437 I CB 2.359 40.272 38.000 -0.145 0.000 1.245 437 I HN -0.199 nan 8.210 nan 0.000 0.434 438 T N 3.750 118.167 114.554 -0.228 0.000 2.772 438 T HA 0.270 4.620 4.350 -0.001 0.000 0.288 438 T C -0.286 174.164 174.700 -0.418 0.000 0.994 438 T CA -0.446 61.444 62.100 -0.349 0.000 0.951 438 T CB 1.239 69.849 68.868 -0.431 0.000 0.933 438 T HN 0.523 nan 8.240 nan 0.000 0.447 439 S N 2.766 118.238 115.700 -0.380 0.000 2.566 439 S HA 0.391 4.861 4.470 -0.001 0.000 0.324 439 S C -0.285 174.145 174.600 -0.283 0.000 1.081 439 S CA -0.644 57.388 58.200 -0.280 0.000 1.105 439 S CB 0.243 63.356 63.200 -0.145 0.000 0.981 439 S HN 0.629 nan 8.310 nan 0.000 0.464 440 Y N 2.792 123.065 120.300 -0.045 0.000 2.470 440 Y HA 0.351 4.901 4.550 -0.001 0.000 0.284 440 Y C 1.407 177.283 175.900 -0.040 0.000 1.188 440 Y CA -0.176 57.901 58.100 -0.040 0.000 1.269 440 Y CB 0.071 38.507 38.460 -0.040 0.000 1.094 440 Y HN 0.559 nan 8.280 nan 0.000 0.518 441 S N -0.698 115.039 115.700 0.062 0.000 2.704 441 S HA 0.448 4.918 4.470 -0.001 0.000 0.305 441 S C 0.945 175.550 174.600 0.007 0.000 1.107 441 S CA -0.072 58.142 58.200 0.023 0.000 0.993 441 S CB 1.090 64.282 63.200 -0.013 0.000 1.110 441 S HN 0.160 nan 8.310 nan 0.000 0.534 442 S N 0.118 115.821 115.700 0.006 0.000 2.603 442 S HA 0.193 4.663 4.470 -0.001 0.000 0.232 442 S C -0.040 174.571 174.600 0.019 0.000 1.016 442 S CA 0.131 58.337 58.200 0.009 0.000 0.976 442 S CB -0.327 62.882 63.200 0.014 0.000 0.921 442 S HN 0.760 nan 8.310 nan 0.000 0.516 443 D N 0.874 121.289 120.400 0.025 0.000 2.402 443 D HA 0.160 4.800 4.640 -0.001 0.000 0.216 443 D C -0.087 176.251 176.300 0.063 0.000 1.128 443 D CA -0.126 53.918 54.000 0.075 0.000 0.833 443 D CB -0.119 40.783 40.800 0.171 0.000 0.971 443 D HN 0.110 nan 8.370 nan 0.000 0.503 444 T N 1.051 115.615 114.554 0.018 0.000 2.851 444 T HA 0.501 4.850 4.350 -0.001 0.000 0.298 444 T C 0.168 174.870 174.700 0.003 0.000 0.977 444 T CA -0.461 61.641 62.100 0.004 0.000 1.126 444 T CB 1.114 69.966 68.868 -0.027 0.000 0.916 444 T HN 0.276 nan 8.240 nan 0.000 0.529 445 A N 4.517 127.340 122.820 0.006 0.000 2.260 445 A HA 0.725 5.044 4.320 -0.001 0.000 0.314 445 A C -0.250 177.327 177.584 -0.012 0.000 1.257 445 A CA -0.672 51.364 52.037 -0.000 0.000 0.871 445 A CB 0.133 19.136 19.000 0.006 0.000 1.166 445 A HN 0.855 nan 8.150 nan 0.000 0.522 446 I N 1.730 122.288 120.570 -0.019 0.000 2.608 446 I HA 0.544 4.713 4.170 -0.001 0.000 0.295 446 I C 0.097 176.200 176.117 -0.023 0.000 1.049 446 I CA -0.610 60.674 61.300 -0.027 0.000 1.063 446 I CB 2.269 40.243 38.000 -0.042 0.000 1.248 446 I HN 0.760 nan 8.210 nan 0.000 0.424 447 R N 6.608 127.096 120.500 -0.021 0.000 2.473 447 R HA 0.492 4.831 4.340 -0.001 0.000 0.303 447 R C -2.796 173.493 176.300 -0.019 0.000 1.002 447 R CA -1.526 54.564 56.100 -0.017 0.000 0.884 447 R CB 1.838 32.132 30.300 -0.010 0.000 1.173 447 R HN 0.217 nan 8.270 nan 0.000 0.464 448 P HA -0.022 nan 4.420 nan 0.000 0.266 448 P C -0.763 176.530 177.300 -0.012 0.000 1.193 448 P CA 0.269 63.354 63.100 -0.025 0.000 0.770 448 P CB 0.667 32.350 31.700 -0.028 0.000 0.836 449 T N 4.984 119.534 114.554 -0.007 0.000 2.779 449 T HA 0.214 4.563 4.350 -0.001 0.000 0.296 449 T C -1.773 172.928 174.700 0.001 0.000 0.938 449 T CA -0.784 61.322 62.100 0.010 0.000 1.119 449 T CB -0.290 68.599 68.868 0.036 0.000 0.891 449 T HN 0.331 nan 8.240 nan 0.000 0.526 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 450 P CB 0.000 31.698 31.700 -0.003 0.000 0.726