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 1fbg_1_B DATA FIRST_RESID 5 DATA SEQUENCE AFDTNIVTLT RFVMEQGRKA RGTGEMTQLL NSLCTAVKAI STAVRKAGIA DATA SEQUENCE HXXXXXXXXX XXXXXXXKLD VLSNDLVINV LKSSFATCVL VTEEDKNAII DATA SEQUENCE VEPEKRGKYV VCFDPLDGSS NIDCLVSIGT IFGIYRKNST DEPSEKDALQ DATA SEQUENCE PGRNLVAAGY ALYGSATMLV LAMVNGVNCF MLDPAIGEFI LVDRNVKIKK DATA SEQUENCE KGSIYSINEG YAKEFDPAIT EYIQRKKFPP DNSAPYGARY VGSMVADVHR DATA SEQUENCE TLVYGGIFMY PANKKSPKGK LRLLYECNPM AYVMEKAGGL ATTGKEAVLD DATA SEQUENCE IVPTDIHQRA PIILGSPEDV TELLEIYQKH A 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.705 177.584 0.202 0.000 1.274 5 A CA 0.000 52.097 52.037 0.100 0.000 0.836 5 A CB 0.000 19.048 19.000 0.080 0.000 0.831 6 F N 0.538 120.489 119.950 0.001 0.000 2.121 6 F HA -0.214 nan 4.527 nan 0.000 0.470 6 F C -2.198 173.605 175.800 0.004 0.000 1.232 6 F CA 0.034 58.036 58.000 0.002 0.000 1.518 6 F CB 0.311 39.313 39.000 0.002 0.000 2.410 6 F HN 0.112 8.531 8.300 0.199 0.000 0.729 7 D N 5.379 125.891 120.400 0.187 0.000 2.471 7 D HA 0.120 nan 4.640 nan 0.000 0.245 7 D C 0.128 176.439 176.300 0.018 0.000 1.116 7 D CA -0.458 53.567 54.000 0.043 0.000 0.853 7 D CB 1.485 42.322 40.800 0.062 0.000 1.123 7 D HN -0.030 8.528 8.370 0.314 0.000 0.540 8 T N 0.113 114.617 114.554 -0.082 0.000 3.163 8 T HA -0.103 nan 4.350 nan 0.000 0.260 8 T C 0.576 175.276 174.700 0.000 0.000 1.156 8 T CA 0.573 62.635 62.100 -0.063 0.000 1.072 8 T CB -0.089 68.701 68.868 -0.130 0.000 0.937 8 T HN 0.204 8.364 8.240 -0.133 0.000 0.528 9 N N 0.336 119.045 118.700 0.015 0.000 2.757 9 N HA 0.163 nan 4.740 nan 0.000 0.296 9 N C -1.997 173.543 175.510 0.050 0.000 1.874 9 N CA -0.642 52.425 53.050 0.030 0.000 0.885 9 N CB 0.485 38.982 38.487 0.016 0.000 1.242 9 N HN 0.009 8.304 8.380 0.015 0.094 0.488 10 I N -0.672 119.938 120.570 0.066 0.000 2.352 10 I HA 0.030 nan 4.170 nan 0.000 0.290 10 I C -0.099 176.076 176.117 0.098 0.000 1.036 10 I CA -0.304 61.043 61.300 0.079 0.000 1.336 10 I CB 0.470 38.522 38.000 0.085 0.000 1.407 10 I HN -0.444 7.806 8.210 0.068 0.000 0.497 11 V N 9.130 129.108 119.914 0.107 0.000 2.276 11 V HA 0.064 nan 4.120 nan 0.000 0.249 11 V C -0.036 176.177 176.094 0.199 0.000 1.160 11 V CA -0.674 61.720 62.300 0.157 0.000 1.042 11 V CB -2.079 29.840 31.823 0.160 0.000 1.224 11 V HN 0.641 8.883 8.190 0.087 0.000 0.496 12 T N 3.598 118.265 114.554 0.189 0.000 2.918 12 T HA 0.197 nan 4.350 nan 0.000 0.302 12 T C 0.776 175.636 174.700 0.266 0.000 1.045 12 T CA -0.616 61.606 62.100 0.202 0.000 1.114 12 T CB 1.509 70.462 68.868 0.143 0.000 0.965 12 T HN -0.275 8.029 8.240 0.158 0.031 0.540 13 L N 2.917 124.286 121.223 0.242 0.000 2.079 13 L HA -0.308 nan 4.340 nan 0.000 0.210 13 L C 0.911 177.871 176.870 0.151 0.000 1.081 13 L CA 3.852 58.803 54.840 0.184 0.000 0.752 13 L CB -0.165 41.690 42.059 -0.340 0.000 0.896 13 L HN 0.137 8.500 8.230 0.221 0.000 0.433 14 T N -0.287 114.313 114.554 0.078 0.000 2.720 14 T HA -0.456 nan 4.350 nan 0.000 0.268 14 T C 2.226 176.976 174.700 0.083 0.000 1.037 14 T CA 4.511 66.643 62.100 0.053 0.000 1.144 14 T CB -0.900 67.992 68.868 0.038 0.000 0.864 14 T HN 0.155 8.435 8.240 0.068 0.000 0.444 15 R N 1.836 122.410 120.500 0.123 0.000 2.061 15 R HA -0.302 nan 4.340 nan 0.000 0.230 15 R C 1.636 178.009 176.300 0.122 0.000 1.140 15 R CA 3.001 59.169 56.100 0.113 0.000 0.940 15 R CB -0.109 30.269 30.300 0.130 0.000 0.839 15 R HN -0.614 7.655 8.270 0.142 0.086 0.429 16 F N 0.026 120.037 119.950 0.103 0.000 2.043 16 F HA -0.412 nan 4.527 nan 0.000 0.297 16 F C 2.254 178.116 175.800 0.104 0.000 1.118 16 F CA 3.590 61.665 58.000 0.125 0.000 1.202 16 F CB 0.083 39.224 39.000 0.235 0.000 0.965 16 F HN -0.015 8.523 8.300 0.397 0.000 0.482 17 V N -1.125 118.838 119.914 0.082 0.000 2.759 17 V HA -0.403 nan 4.120 nan 0.000 0.256 17 V C 1.786 177.822 176.094 -0.097 0.000 1.080 17 V CA 3.798 66.081 62.300 -0.029 0.000 1.101 17 V CB -0.803 31.083 31.823 0.105 0.000 0.698 17 V HN 0.291 8.671 8.190 0.315 0.000 0.477 18 M N -0.686 118.875 119.600 -0.065 0.000 2.229 18 M HA -0.421 nan 4.480 nan 0.000 0.264 18 M C 1.962 178.199 176.300 -0.105 0.000 1.063 18 M CA 4.199 59.464 55.300 -0.058 0.000 1.114 18 M CB -0.404 32.182 32.600 -0.023 0.000 1.387 18 M HN -0.703 7.474 8.290 -0.018 0.102 0.420 19 E N -3.807 116.279 120.200 -0.190 0.000 2.526 19 E HA -0.284 nan 4.350 nan 0.000 0.198 19 E C 0.589 177.040 176.600 -0.248 0.000 1.091 19 E CA 1.644 57.914 56.400 -0.216 0.000 0.880 19 E CB -0.979 28.561 29.700 -0.267 0.000 0.873 19 E HN -0.490 7.641 8.360 -0.219 0.098 0.527 20 Q N -3.071 116.595 119.800 -0.223 0.000 2.532 20 Q HA 0.164 nan 4.340 nan 0.000 0.247 20 Q C 2.356 178.320 176.000 -0.059 0.000 0.872 20 Q CA 0.897 56.616 55.803 -0.140 0.000 0.963 20 Q CB 1.804 30.469 28.738 -0.122 0.000 1.159 20 Q HN -0.255 7.665 8.270 -0.212 0.223 0.598 21 G N 0.317 109.090 108.800 -0.044 0.000 2.434 21 G HA2 -0.271 nan 3.960 nan 0.000 0.214 21 G HA3 -0.271 nan 3.960 nan 0.000 0.214 21 G C 1.427 176.324 174.900 -0.006 0.000 1.202 21 G CA 1.513 46.609 45.100 -0.007 0.000 0.788 21 G HN 0.488 8.739 8.290 -0.064 0.000 0.539 22 R N 2.552 123.041 120.500 -0.018 0.000 2.073 22 R HA -0.252 nan 4.340 nan 0.000 0.234 22 R C 2.478 178.770 176.300 -0.013 0.000 1.134 22 R CA 2.572 58.664 56.100 -0.012 0.000 0.952 22 R CB -0.225 30.064 30.300 -0.017 0.000 0.850 22 R HN -0.297 7.955 8.270 -0.030 0.000 0.433 23 K N -1.770 118.616 120.400 -0.024 0.000 2.442 23 K HA -0.097 nan 4.320 nan 0.000 0.198 23 K C 0.573 177.168 176.600 -0.009 0.000 1.042 23 K CA 2.218 58.494 56.287 -0.018 0.000 0.958 23 K CB -0.610 31.873 32.500 -0.028 0.000 0.766 23 K HN 0.197 8.424 8.250 -0.038 0.000 0.474 24 A N -1.121 121.697 122.820 -0.004 0.000 2.630 24 A HA 0.244 nan 4.320 nan 0.000 0.290 24 A C -0.643 176.950 177.584 0.013 0.000 1.267 24 A CA -1.576 50.465 52.037 0.007 0.000 0.950 24 A CB 0.173 19.180 19.000 0.013 0.000 1.144 24 A HN -0.400 7.700 8.150 -0.008 0.044 0.527 25 R N -1.656 118.850 120.500 0.009 0.000 4.059 25 R HA -0.399 nan 4.340 nan 0.000 0.421 25 R C -0.078 176.234 176.300 0.020 0.000 1.034 25 R CA 1.252 57.360 56.100 0.012 0.000 1.621 25 R CB -0.885 29.422 30.300 0.010 0.000 2.247 25 R HN 0.120 8.211 8.270 0.004 0.181 0.540 26 G N -1.323 107.495 108.800 0.030 0.000 2.305 26 G HA2 -0.139 nan 3.960 nan 0.000 0.243 26 G HA3 -0.139 nan 3.960 nan 0.000 0.243 26 G C 0.340 175.269 174.900 0.049 0.000 1.288 26 G CA -0.249 44.879 45.100 0.046 0.000 0.901 26 G HN -0.380 7.820 8.290 0.030 0.108 0.516 27 T N -1.183 113.402 114.554 0.051 0.000 2.987 27 T HA -0.319 nan 4.350 nan 0.000 0.269 27 T C 1.036 175.769 174.700 0.055 0.000 1.158 27 T CA 0.892 63.021 62.100 0.048 0.000 1.094 27 T CB -0.655 68.243 68.868 0.050 0.000 0.818 27 T HN 0.194 8.462 8.240 0.047 0.000 0.574 28 G N 1.472 110.311 108.800 0.064 0.000 2.176 28 G HA2 -0.308 nan 3.960 nan 0.000 0.252 28 G HA3 -0.308 nan 3.960 nan 0.000 0.252 28 G C -0.047 174.892 174.900 0.066 0.000 1.024 28 G CA 0.220 45.349 45.100 0.049 0.000 0.755 28 G HN 0.127 8.357 8.290 0.072 0.103 0.507 29 E N 0.011 120.288 120.200 0.129 0.000 2.110 29 E HA -0.396 nan 4.350 nan 0.000 0.193 29 E C 1.228 177.887 176.600 0.099 0.000 0.988 29 E CA 2.399 58.909 56.400 0.184 0.000 0.804 29 E CB -0.026 29.879 29.700 0.342 0.000 0.745 29 E HN -0.556 7.852 8.360 0.148 0.041 0.458 30 M N -1.118 118.499 119.600 0.027 0.000 2.352 30 M HA -0.419 nan 4.480 nan 0.000 0.260 30 M C 1.557 177.782 176.300 -0.124 0.000 1.068 30 M CA 3.764 58.958 55.300 -0.178 0.000 1.082 30 M CB -1.065 31.489 32.600 -0.076 0.000 1.262 30 M HN -0.304 8.081 8.290 0.156 -0.002 0.444 31 T N 0.883 115.404 114.554 -0.054 0.000 2.544 31 T HA -0.457 nan 4.350 nan 0.000 0.264 31 T C 2.373 177.040 174.700 -0.055 0.000 1.096 31 T CA 4.762 66.833 62.100 -0.050 0.000 1.181 31 T CB -0.619 68.239 68.868 -0.016 0.000 0.864 31 T HN 0.091 8.243 8.240 -0.022 0.074 0.415 32 Q N 0.593 120.382 119.800 -0.018 0.000 2.368 32 Q HA -0.282 nan 4.340 nan 0.000 0.210 32 Q C 2.351 178.318 176.000 -0.056 0.000 0.982 32 Q CA 2.891 58.686 55.803 -0.014 0.000 0.884 32 Q CB -0.783 27.981 28.738 0.044 0.000 0.933 32 Q HN -0.352 7.924 8.270 0.009 0.000 0.460 33 L N 0.398 121.571 121.223 -0.084 0.000 1.993 33 L HA -0.321 nan 4.340 nan 0.000 0.206 33 L C 1.420 178.166 176.870 -0.206 0.000 1.074 33 L CA 3.073 57.826 54.840 -0.144 0.000 0.746 33 L CB 0.016 41.952 42.059 -0.205 0.000 0.896 33 L HN -0.329 7.832 8.230 -0.069 0.028 0.435 34 L N -2.098 118.990 121.223 -0.226 0.000 2.042 34 L HA -0.568 nan 4.340 nan 0.000 0.210 34 L C 2.059 178.771 176.870 -0.264 0.000 1.076 34 L CA 3.325 57.995 54.840 -0.284 0.000 0.749 34 L CB -0.533 41.382 42.059 -0.240 0.000 0.893 34 L HN 0.189 8.301 8.230 -0.196 0.000 0.432 35 N N -1.569 117.024 118.700 -0.179 0.000 2.091 35 N HA -0.441 nan 4.740 nan 0.000 0.193 35 N C 2.279 177.704 175.510 -0.141 0.000 1.021 35 N CA 3.690 56.659 53.050 -0.135 0.000 0.862 35 N CB -0.089 38.352 38.487 -0.077 0.000 1.018 35 N HN 0.448 8.740 8.380 -0.147 0.000 0.429 36 S N 0.437 116.045 115.700 -0.154 0.000 2.383 36 S HA -0.254 nan 4.470 nan 0.000 0.227 36 S C 1.915 176.390 174.600 -0.209 0.000 1.026 36 S CA 3.524 61.629 58.200 -0.159 0.000 0.981 36 S CB -0.219 62.884 63.200 -0.161 0.000 0.818 36 S HN -0.460 7.669 8.310 -0.151 0.090 0.472 37 L N 2.185 123.232 121.223 -0.293 0.000 2.201 37 L HA -0.222 nan 4.340 nan 0.000 0.212 37 L C 1.498 178.180 176.870 -0.313 0.000 1.105 37 L CA 2.755 57.367 54.840 -0.379 0.000 0.775 37 L CB -0.447 41.249 42.059 -0.605 0.000 0.913 37 L HN -0.415 7.530 8.230 -0.300 0.105 0.440 38 C N -0.772 118.353 119.300 -0.292 0.000 2.432 38 C HA -0.451 nan 4.460 nan 0.000 0.277 38 C C 1.785 176.756 174.990 -0.031 0.000 1.249 38 C CA 5.057 63.942 59.018 -0.222 0.000 1.725 38 C CB -2.120 25.511 27.740 -0.181 0.000 2.028 38 C HN 0.556 8.508 8.230 -0.298 0.099 0.477 39 T N 1.398 115.921 114.554 -0.051 0.000 2.720 39 T HA -0.387 nan 4.350 nan 0.000 0.268 39 T C 1.560 176.245 174.700 -0.025 0.000 1.037 39 T CA 5.121 67.209 62.100 -0.019 0.000 1.144 39 T CB -0.616 68.224 68.868 -0.045 0.000 0.864 39 T HN -0.356 7.754 8.240 -0.091 0.076 0.444 40 A N 0.902 123.676 122.820 -0.077 0.000 1.883 40 A HA -0.260 nan 4.320 nan 0.000 0.217 40 A C 1.843 179.424 177.584 -0.005 0.000 1.186 40 A CA 3.301 55.291 52.037 -0.078 0.000 0.624 40 A CB -0.852 18.054 19.000 -0.157 0.000 0.822 40 A HN -0.152 7.927 8.150 -0.119 0.000 0.444 41 V N -0.901 119.032 119.914 0.031 0.000 2.307 41 V HA -0.514 nan 4.120 nan 0.000 0.245 41 V C 2.187 178.440 176.094 0.264 0.000 1.045 41 V CA 4.553 66.970 62.300 0.196 0.000 1.024 41 V CB -1.028 30.890 31.823 0.159 0.000 0.651 41 V HN 0.262 8.427 8.190 -0.041 0.000 0.449 42 K N -0.861 119.672 120.400 0.222 0.000 2.020 42 K HA -0.454 nan 4.320 nan 0.000 0.212 42 K C 2.006 178.644 176.600 0.064 0.000 1.050 42 K CA 3.875 60.261 56.287 0.164 0.000 0.929 42 K CB -0.377 32.197 32.500 0.123 0.000 0.714 42 K HN 0.332 8.697 8.250 0.192 0.000 0.443 43 A N -1.293 121.544 122.820 0.029 0.000 1.908 43 A HA -0.233 nan 4.320 nan 0.000 0.218 43 A C 2.284 179.833 177.584 -0.058 0.000 1.181 43 A CA 2.975 55.002 52.037 -0.018 0.000 0.627 43 A CB -0.843 18.143 19.000 -0.024 0.000 0.818 43 A HN -0.190 7.983 8.150 0.040 0.000 0.445 44 I N -2.525 118.004 120.570 -0.069 0.000 2.226 44 I HA -0.609 nan 4.170 nan 0.000 0.245 44 I C 1.885 177.788 176.117 -0.355 0.000 1.100 44 I CA 3.940 65.118 61.300 -0.203 0.000 1.374 44 I CB -0.295 37.576 38.000 -0.215 0.000 1.057 44 I HN -0.219 7.903 8.210 -0.006 0.084 0.413 45 S N -0.368 115.164 115.700 -0.279 0.000 2.348 45 S HA -0.409 nan 4.470 nan 0.000 0.221 45 S C 2.142 176.663 174.600 -0.132 0.000 1.033 45 S CA 4.378 62.433 58.200 -0.243 0.000 1.010 45 S CB -0.073 63.183 63.200 0.092 0.000 0.891 45 S HN -0.172 8.017 8.310 -0.066 0.082 0.442 46 T N 3.578 118.088 114.554 -0.073 0.000 2.624 46 T HA -0.432 nan 4.350 nan 0.000 0.268 46 T C 1.691 176.347 174.700 -0.073 0.000 1.041 46 T CA 4.705 66.770 62.100 -0.059 0.000 1.159 46 T CB -0.501 68.341 68.868 -0.043 0.000 0.863 46 T HN -0.409 7.801 8.240 -0.049 0.000 0.434 47 A N 0.175 122.942 122.820 -0.089 0.000 2.019 47 A HA -0.080 nan 4.320 nan 0.000 0.219 47 A C 1.333 178.857 177.584 -0.100 0.000 1.164 47 A CA 2.822 54.807 52.037 -0.086 0.000 0.644 47 A CB -0.565 18.383 19.000 -0.087 0.000 0.805 47 A HN -0.584 7.509 8.150 -0.095 0.000 0.449 48 V N -2.524 117.302 119.914 -0.147 0.000 2.719 48 V HA -0.183 nan 4.120 nan 0.000 0.252 48 V C 2.634 178.676 176.094 -0.087 0.000 1.065 48 V CA 3.021 65.235 62.300 -0.143 0.000 1.086 48 V CB -0.582 31.085 31.823 -0.259 0.000 0.700 48 V HN -0.427 7.523 8.190 -0.187 0.127 0.467 49 R N 0.596 121.052 120.500 -0.074 0.000 2.119 49 R HA -0.177 nan 4.340 nan 0.000 0.222 49 R C 1.739 178.016 176.300 -0.038 0.000 1.088 49 R CA 2.829 58.903 56.100 -0.043 0.000 0.984 49 R CB 0.202 30.481 30.300 -0.034 0.000 0.884 49 R HN 0.100 8.196 8.270 -0.089 0.120 0.447 50 K N -1.680 118.695 120.400 -0.043 0.000 2.446 50 K HA 0.163 nan 4.320 nan 0.000 0.203 50 K C -0.100 176.478 176.600 -0.037 0.000 1.027 50 K CA -0.586 55.680 56.287 -0.035 0.000 1.166 50 K CB -0.095 32.385 32.500 -0.033 0.000 0.869 50 K HN -0.454 7.765 8.250 -0.051 0.000 0.504 51 A N -0.005 122.789 122.820 -0.043 0.000 1.948 51 A HA -0.219 nan 4.320 nan 0.000 0.220 51 A C 1.566 179.131 177.584 -0.031 0.000 1.177 51 A CA 3.123 55.134 52.037 -0.043 0.000 0.636 51 A CB -0.359 18.613 19.000 -0.048 0.000 0.815 51 A HN -0.448 7.458 8.150 -0.048 0.215 0.449 52 G N -4.467 104.317 108.800 -0.026 0.000 3.124 52 G HA2 -0.088 nan 3.960 nan 0.000 0.212 52 G HA3 -0.088 nan 3.960 nan 0.000 0.212 52 G C -0.065 174.824 174.900 -0.018 0.000 1.181 52 G CA 0.507 45.595 45.100 -0.020 0.000 0.803 52 G HN 0.315 8.571 8.290 -0.027 0.018 0.529 53 I N -2.332 118.226 120.570 -0.021 0.000 4.225 53 I HA 0.204 nan 4.170 nan 0.000 0.327 53 I C -0.597 175.508 176.117 -0.019 0.000 1.422 53 I CA -0.582 60.707 61.300 -0.018 0.000 1.150 53 I CB 0.217 38.206 38.000 -0.019 0.000 1.192 53 I HN -0.324 7.691 8.210 -0.024 0.180 0.440 54 A N -0.973 121.835 122.820 -0.021 0.000 2.026 54 A HA 0.146 nan 4.320 nan 0.000 0.198 54 A C 0.401 177.974 177.584 -0.019 0.000 1.390 54 A CA 1.020 53.044 52.037 -0.021 0.000 0.915 54 A CB 1.161 20.145 19.000 -0.026 0.000 0.974 54 A HN -0.059 8.078 8.150 -0.022 0.000 0.477 73 L N 1.420 122.630 121.223 -0.021 0.000 2.077 73 L HA -0.433 nan 4.340 nan 0.000 0.231 73 L C 0.553 177.409 176.870 -0.023 0.000 1.100 73 L CA 2.694 57.516 54.840 -0.030 0.000 0.819 73 L CB -0.502 41.532 42.059 -0.041 0.000 0.913 73 L HN 0.280 8.497 8.230 -0.023 0.000 0.446 74 D N -2.798 117.595 120.400 -0.012 0.000 2.190 74 D HA -0.386 nan 4.640 nan 0.000 0.200 74 D C 2.237 178.544 176.300 0.012 0.000 0.992 74 D CA 2.616 56.619 54.000 0.005 0.000 0.854 74 D CB -1.089 39.717 40.800 0.010 0.000 0.936 74 D HN 0.001 8.363 8.370 -0.013 0.000 0.462 75 V N 1.247 121.163 119.914 0.003 0.000 2.237 75 V HA -0.396 nan 4.120 nan 0.000 0.245 75 V C 1.990 178.089 176.094 0.008 0.000 1.046 75 V CA 4.272 66.575 62.300 0.006 0.000 1.007 75 V CB -0.698 31.124 31.823 -0.001 0.000 0.638 75 V HN 0.247 8.326 8.190 -0.003 0.110 0.445 76 L N -2.840 118.381 121.223 -0.004 0.000 2.083 76 L HA -0.357 nan 4.340 nan 0.000 0.209 76 L C 2.220 179.084 176.870 -0.010 0.000 1.083 76 L CA 3.213 58.048 54.840 -0.010 0.000 0.752 76 L CB -0.869 41.178 42.059 -0.020 0.000 0.899 76 L HN -0.643 7.582 8.230 -0.009 0.000 0.433 77 S N -0.996 114.699 115.700 -0.009 0.000 2.428 77 S HA -0.337 nan 4.470 nan 0.000 0.230 77 S C 2.251 176.859 174.600 0.014 0.000 1.014 77 S CA 3.573 61.767 58.200 -0.010 0.000 0.957 77 S CB -0.634 62.559 63.200 -0.011 0.000 0.784 77 S HN 0.515 8.622 8.310 -0.009 0.198 0.499 78 N N 3.066 121.797 118.700 0.052 0.000 2.080 78 N HA -0.251 nan 4.740 nan 0.000 0.189 78 N C 1.575 177.138 175.510 0.089 0.000 1.036 78 N CA 3.269 56.394 53.050 0.126 0.000 0.846 78 N CB -0.040 38.520 38.487 0.122 0.000 1.015 78 N HN -0.064 8.119 8.380 0.040 0.221 0.423 79 D N 0.241 120.667 120.400 0.045 0.000 2.218 79 D HA -0.250 nan 4.640 nan 0.000 0.204 79 D C 2.490 178.785 176.300 -0.009 0.000 0.976 79 D CA 3.461 57.477 54.000 0.026 0.000 0.853 79 D CB -0.296 40.512 40.800 0.013 0.000 0.939 79 D HN 0.188 8.579 8.370 0.034 0.000 0.481 80 L N 0.445 121.652 121.223 -0.028 0.000 1.961 80 L HA -0.292 nan 4.340 nan 0.000 0.210 80 L C 1.358 178.167 176.870 -0.101 0.000 1.072 80 L CA 3.416 58.222 54.840 -0.057 0.000 0.749 80 L CB -0.375 41.652 42.059 -0.055 0.000 0.889 80 L HN 0.006 8.111 8.230 -0.016 0.116 0.432 81 V N -0.156 119.669 119.914 -0.147 0.000 2.231 81 V HA -0.588 nan 4.120 nan 0.000 0.250 81 V C 2.056 177.982 176.094 -0.280 0.000 1.058 81 V CA 4.728 66.842 62.300 -0.309 0.000 1.022 81 V CB -0.816 30.673 31.823 -0.557 0.000 0.640 81 V HN -0.165 7.962 8.190 -0.106 0.000 0.445 82 I N -1.423 119.070 120.570 -0.129 0.000 2.068 82 I HA -0.752 nan 4.170 nan 0.000 0.238 82 I C 1.584 177.669 176.117 -0.055 0.000 1.046 82 I CA 4.573 65.868 61.300 -0.009 0.000 1.306 82 I CB -0.547 37.514 38.000 0.102 0.000 1.023 82 I HN 0.108 8.283 8.210 -0.058 0.000 0.399 83 N N -0.618 118.049 118.700 -0.055 0.000 2.061 83 N HA -0.336 nan 4.740 nan 0.000 0.193 83 N C 2.428 177.873 175.510 -0.108 0.000 1.030 83 N CA 3.525 56.533 53.050 -0.069 0.000 0.856 83 N CB 0.016 38.468 38.487 -0.059 0.000 1.023 83 N HN -0.470 7.884 8.380 -0.044 0.000 0.424 84 V N -2.492 117.345 119.914 -0.128 0.000 2.427 84 V HA -0.246 nan 4.120 nan 0.000 0.248 84 V C 1.891 177.882 176.094 -0.172 0.000 1.051 84 V CA 3.208 65.418 62.300 -0.149 0.000 1.048 84 V CB -1.111 30.622 31.823 -0.150 0.000 0.666 84 V HN 0.072 8.185 8.190 -0.128 0.000 0.456 85 L N -0.337 120.779 121.223 -0.180 0.000 2.012 85 L HA -0.551 nan 4.340 nan 0.000 0.210 85 L C 2.131 178.928 176.870 -0.122 0.000 1.073 85 L CA 3.316 58.057 54.840 -0.164 0.000 0.748 85 L CB -0.884 41.082 42.059 -0.155 0.000 0.891 85 L HN 0.182 8.204 8.230 -0.186 0.097 0.431 86 K N -0.877 119.461 120.400 -0.104 0.000 2.000 86 K HA -0.458 nan 4.320 nan 0.000 0.218 86 K C 2.867 179.328 176.600 -0.232 0.000 1.053 86 K CA 3.571 59.795 56.287 -0.106 0.000 0.946 86 K CB -0.292 32.158 32.500 -0.083 0.000 0.723 86 K HN 0.224 8.417 8.250 -0.096 0.000 0.446 87 S N -1.563 113.952 115.700 -0.309 0.000 2.584 87 S HA -0.122 nan 4.470 nan 0.000 0.240 87 S C 1.072 175.319 174.600 -0.589 0.000 0.975 87 S CA 2.535 60.395 58.200 -0.567 0.000 0.949 87 S CB -0.692 62.270 63.200 -0.398 0.000 0.761 87 S HN -0.520 7.653 8.310 -0.229 0.000 0.536 88 S N 1.655 117.180 115.700 -0.293 0.000 2.507 88 S HA -0.197 nan 4.470 nan 0.000 0.235 88 S C 0.274 174.904 174.600 0.050 0.000 0.988 88 S CA 1.620 59.745 58.200 -0.124 0.000 0.944 88 S CB 0.357 63.508 63.200 -0.082 0.000 0.762 88 S HN -0.401 7.587 8.310 -0.229 0.185 0.526 89 F N -1.452 118.508 119.950 0.016 0.000 3.039 89 F HA -0.381 nan 4.527 nan 0.000 0.287 89 F C -1.126 174.708 175.800 0.057 0.000 0.956 89 F CA 1.148 59.166 58.000 0.030 0.000 0.971 89 F CB -2.457 36.556 39.000 0.022 0.000 0.943 89 F HN -0.379 7.681 8.300 -0.276 0.075 0.766 90 A N -4.697 118.245 122.820 0.204 0.000 2.622 90 A HA 0.286 nan 4.320 nan 0.000 0.283 90 A C -1.789 175.957 177.584 0.271 0.000 0.998 90 A CA -0.121 52.067 52.037 0.251 0.000 0.985 90 A CB 2.157 21.305 19.000 0.247 0.000 1.236 90 A HN -0.536 7.684 8.150 0.123 0.004 0.559 91 T N -4.147 110.511 114.554 0.173 0.000 2.916 91 T HA 0.754 nan 4.350 nan 0.000 0.292 91 T C -0.522 174.250 174.700 0.121 0.000 1.064 91 T CA -1.771 60.424 62.100 0.159 0.000 1.011 91 T CB 3.197 72.133 68.868 0.113 0.000 1.152 91 T HN -0.504 7.823 8.240 0.145 0.000 0.510 92 C N -3.268 116.101 119.300 0.115 0.000 3.984 92 C HA 0.556 nan 4.460 nan 0.000 0.569 92 C C -1.113 173.927 174.990 0.083 0.000 1.383 92 C CA 0.348 59.417 59.018 0.084 0.000 2.516 92 C CB 1.911 29.688 27.740 0.062 0.000 3.723 92 C HN 0.698 9.011 8.230 0.139 0.000 0.541 93 V N 0.357 120.333 119.914 0.104 0.000 2.962 93 V HA 0.811 nan 4.120 nan 0.000 0.313 93 V C -2.439 173.739 176.094 0.141 0.000 1.099 93 V CA -0.756 61.603 62.300 0.099 0.000 0.971 93 V CB 3.439 35.308 31.823 0.077 0.000 1.028 93 V HN -0.811 7.455 8.190 0.127 0.000 0.430 94 L N 1.836 123.141 121.223 0.138 0.000 2.445 94 L HA 0.795 nan 4.340 nan 0.000 0.262 94 L C -1.864 175.047 176.870 0.069 0.000 0.974 94 L CA -0.778 54.179 54.840 0.195 0.000 0.822 94 L CB 4.011 46.244 42.059 0.290 0.000 1.339 94 L HN 0.405 8.697 8.230 0.104 0.000 0.409 95 V N 1.776 121.669 119.914 -0.035 0.000 2.531 95 V HA 0.444 nan 4.120 nan 0.000 0.301 95 V C -1.087 174.698 176.094 -0.516 0.000 1.034 95 V CA -1.001 61.234 62.300 -0.108 0.000 0.865 95 V CB 3.153 35.006 31.823 0.051 0.000 0.995 95 V HN 0.701 8.904 8.190 0.020 0.000 0.424 96 T N 6.297 120.518 114.554 -0.556 0.000 2.944 96 T HA 0.472 nan 4.350 nan 0.000 0.284 96 T C 0.716 175.048 174.700 -0.614 0.000 1.010 96 T CA -1.149 60.447 62.100 -0.840 0.000 1.025 96 T CB 1.452 70.018 68.868 -0.503 0.000 1.079 96 T HN 0.416 8.504 8.240 -0.253 0.000 0.516 97 E N 3.070 122.725 120.200 -0.908 0.000 2.072 97 E HA -0.279 nan 4.350 nan 0.000 0.191 97 E C 0.694 177.129 176.600 -0.275 0.000 0.985 97 E CA 2.997 58.960 56.400 -0.728 0.000 0.801 97 E CB 0.190 29.583 29.700 -0.511 0.000 0.750 97 E HN 0.290 8.125 8.360 -0.875 0.000 0.452 98 E N -5.357 114.706 120.200 -0.228 0.000 2.478 98 E HA -0.037 nan 4.350 nan 0.000 0.198 98 E C -1.001 175.531 176.600 -0.113 0.000 1.046 98 E CA 0.323 56.643 56.400 -0.133 0.000 0.870 98 E CB -0.307 29.352 29.700 -0.069 0.000 0.818 98 E HN 0.201 8.406 8.360 -0.264 -0.003 0.527 99 D N -0.426 119.910 120.400 -0.106 0.000 2.649 99 D HA 0.226 nan 4.640 nan 0.000 0.249 99 D C -0.732 175.558 176.300 -0.017 0.000 1.112 99 D CA -0.840 53.127 54.000 -0.056 0.000 0.850 99 D CB 2.583 43.372 40.800 -0.019 0.000 1.399 99 D HN -0.951 7.196 8.370 -0.112 0.156 0.503 100 K N 3.742 124.114 120.400 -0.048 0.000 1.969 100 K HA -0.397 nan 4.320 nan 0.000 0.223 100 K C -0.251 176.448 176.600 0.166 0.000 1.048 100 K CA 3.145 59.426 56.287 -0.008 0.000 0.983 100 K CB 0.322 32.813 32.500 -0.016 0.000 0.738 100 K HN 0.321 8.538 8.250 -0.055 0.000 0.446 101 N N -1.698 117.057 118.700 0.092 0.000 2.488 101 N HA -0.051 nan 4.740 nan 0.000 0.274 101 N C -1.051 174.509 175.510 0.082 0.000 1.111 101 N CA -0.384 52.716 53.050 0.084 0.000 0.974 101 N CB -0.012 38.504 38.487 0.049 0.000 1.089 101 N HN -0.185 8.227 8.380 0.053 0.000 0.465 102 A N 2.486 125.348 122.820 0.071 0.000 2.548 102 A HA -0.044 nan 4.320 nan 0.000 0.247 102 A C 0.297 177.911 177.584 0.050 0.000 1.067 102 A CA 0.384 52.452 52.037 0.052 0.000 0.757 102 A CB 0.450 19.469 19.000 0.031 0.000 0.996 102 A HN 0.172 8.360 8.150 0.064 0.000 0.504 103 I N 4.080 124.683 120.570 0.056 0.000 2.494 103 I HA -0.233 nan 4.170 nan 0.000 0.289 103 I C -0.958 175.198 176.117 0.066 0.000 1.106 103 I CA 0.495 61.833 61.300 0.062 0.000 1.369 103 I CB -0.111 37.937 38.000 0.080 0.000 1.410 103 I HN 0.223 8.464 8.210 0.052 0.000 0.523 104 I N 8.640 129.241 120.570 0.052 0.000 2.395 104 I HA -0.016 nan 4.170 nan 0.000 0.289 104 I C -0.461 175.687 176.117 0.051 0.000 1.023 104 I CA -0.489 60.841 61.300 0.050 0.000 1.350 104 I CB 0.678 38.700 38.000 0.037 0.000 1.409 104 I HN -0.248 7.989 8.210 0.046 0.000 0.507 105 V N 8.405 128.353 119.914 0.056 0.000 2.881 105 V HA 0.048 nan 4.120 nan 0.000 0.303 105 V C -0.171 175.951 176.094 0.047 0.000 1.070 105 V CA -0.594 61.738 62.300 0.054 0.000 1.074 105 V CB 0.427 32.288 31.823 0.063 0.000 1.012 105 V HN 0.523 8.651 8.190 0.059 0.097 0.482 106 E N 3.018 123.244 120.200 0.043 0.000 2.392 106 E HA 0.148 nan 4.350 nan 0.000 0.264 106 E C -0.281 176.351 176.600 0.053 0.000 1.024 106 E CA -1.642 54.783 56.400 0.042 0.000 0.903 106 E CB -0.544 29.180 29.700 0.039 0.000 0.963 106 E HN 0.145 8.528 8.360 0.040 0.000 0.432 107 P HA -0.299 nan 4.420 nan 0.000 0.216 107 P C 1.410 178.751 177.300 0.068 0.000 1.154 107 P CA 2.605 65.735 63.100 0.051 0.000 0.865 107 P CB 0.023 31.744 31.700 0.036 0.000 0.789 108 E N -0.884 119.361 120.200 0.076 0.000 2.233 108 E HA -0.243 nan 4.350 nan 0.000 0.199 108 E C 1.198 177.909 176.600 0.184 0.000 1.004 108 E CA 2.340 58.799 56.400 0.099 0.000 0.819 108 E CB -0.632 29.127 29.700 0.098 0.000 0.738 108 E HN 0.618 9.017 8.360 0.065 0.000 0.478 109 K N -4.603 115.937 120.400 0.234 0.000 2.414 109 K HA 0.196 nan 4.320 nan 0.000 0.204 109 K C -0.778 176.010 176.600 0.315 0.000 1.026 109 K CA -1.074 55.465 56.287 0.421 0.000 1.108 109 K CB 0.683 33.285 32.500 0.170 0.000 0.855 109 K HN -0.742 7.545 8.250 0.157 0.057 0.517 110 R N -0.525 120.086 120.500 0.185 0.000 2.643 110 R HA -0.167 nan 4.340 nan 0.000 0.270 110 R C 0.094 176.472 176.300 0.130 0.000 1.061 110 R CA 1.306 57.483 56.100 0.128 0.000 1.107 110 R CB 0.725 31.071 30.300 0.077 0.000 0.999 110 R HN -0.540 7.753 8.270 0.153 0.068 0.460 111 G N 1.397 110.263 108.800 0.110 0.000 2.749 111 G HA2 0.383 nan 3.960 nan 0.000 0.300 111 G HA3 0.383 nan 3.960 nan 0.000 0.300 111 G C -1.924 172.997 174.900 0.034 0.000 1.352 111 G CA 0.026 45.182 45.100 0.092 0.000 0.789 111 G HN -0.005 8.259 8.290 0.101 0.086 0.509 112 K N -3.184 117.173 120.400 -0.072 0.000 2.387 112 K HA 0.210 nan 4.320 nan 0.000 0.198 112 K C -0.939 175.514 176.600 -0.245 0.000 1.022 112 K CA 0.400 56.550 56.287 -0.229 0.000 1.128 112 K CB 0.953 33.210 32.500 -0.406 0.000 0.853 112 K HN -0.099 8.343 8.250 -0.064 -0.231 0.523 113 Y N -1.627 118.713 120.300 0.067 0.000 2.487 113 Y HA 0.436 nan 4.550 nan 0.000 0.337 113 Y C -1.477 174.483 175.900 0.099 0.000 1.076 113 Y CA -1.382 56.768 58.100 0.083 0.000 1.115 113 Y CB 3.064 41.564 38.460 0.067 0.000 1.235 113 Y HN -0.278 8.046 8.280 0.247 0.105 0.468 114 V N 0.762 120.876 119.914 0.333 0.000 2.394 114 V HA 0.474 nan 4.120 nan 0.000 0.282 114 V C -1.287 174.983 176.094 0.294 0.000 1.031 114 V CA -0.679 61.788 62.300 0.279 0.000 0.881 114 V CB 0.100 32.098 31.823 0.291 0.000 0.982 114 V HN 0.551 8.872 8.190 0.406 0.112 0.451 115 V N 6.524 126.599 119.914 0.267 0.000 2.376 115 V HA 0.535 nan 4.120 nan 0.000 0.287 115 V C -1.244 175.080 176.094 0.382 0.000 1.015 115 V CA -1.539 60.934 62.300 0.287 0.000 0.834 115 V CB 1.401 33.368 31.823 0.239 0.000 1.001 115 V HN 0.250 8.592 8.190 0.253 0.000 0.428 116 C N 8.466 127.971 119.300 0.341 0.000 2.265 116 C HA 0.886 nan 4.460 nan 0.000 0.332 116 C C -1.280 173.980 174.990 0.449 0.000 1.248 116 C CA -1.107 58.104 59.018 0.322 0.000 1.727 116 C CB -0.801 27.090 27.740 0.252 0.000 2.348 116 C HN 1.021 9.318 8.230 0.281 0.102 0.519 117 F N 3.136 123.268 119.950 0.303 0.000 2.601 117 F HA 0.642 nan 4.527 nan 0.000 0.309 117 F C -2.912 172.915 175.800 0.045 0.000 1.089 117 F CA -2.603 55.530 58.000 0.221 0.000 0.940 117 F CB 3.098 42.188 39.000 0.150 0.000 1.273 117 F HN 1.090 9.302 8.300 -0.147 0.000 0.450 118 D N 1.449 122.013 120.400 0.272 0.000 2.303 118 D HA 0.513 nan 4.640 nan 0.000 0.236 118 D C -0.751 175.705 176.300 0.261 0.000 1.068 118 D CA -4.138 49.912 54.000 0.084 0.000 0.830 118 D CB 2.468 43.290 40.800 0.036 0.000 1.109 118 D HN -0.032 8.552 8.370 0.357 0.000 0.496 119 P HA -0.073 nan 4.420 nan 0.000 0.217 119 P C -1.457 175.942 177.300 0.166 0.000 1.150 119 P CA 1.824 65.054 63.100 0.216 0.000 0.832 119 P CB 0.557 32.373 31.700 0.192 0.000 0.787 120 L N -2.594 118.702 121.223 0.120 0.000 2.490 120 L HA 0.238 nan 4.340 nan 0.000 0.261 120 L C -2.809 174.110 176.870 0.081 0.000 1.232 120 L CA -0.521 54.388 54.840 0.115 0.000 0.892 120 L CB 1.789 43.891 42.059 0.072 0.000 1.085 120 L HN -0.643 8.062 8.230 0.092 -0.420 0.491 121 D N 5.833 126.287 120.400 0.090 0.000 2.348 121 D HA 0.083 nan 4.640 nan 0.000 0.253 121 D C 0.138 176.461 176.300 0.039 0.000 1.161 121 D CA 0.680 54.711 54.000 0.052 0.000 0.876 121 D CB 1.272 42.096 40.800 0.039 0.000 1.160 121 D HN 0.367 8.807 8.370 0.117 0.000 0.459 122 G N 5.492 114.305 108.800 0.021 0.000 2.212 122 G HA2 -0.433 nan 3.960 nan 0.000 0.255 122 G HA3 -0.433 nan 3.960 nan 0.000 0.255 122 G C 0.671 175.581 174.900 0.016 0.000 1.062 122 G CA 0.553 45.658 45.100 0.008 0.000 0.815 122 G HN 0.651 8.952 8.290 0.018 0.000 0.497 123 S N -0.212 115.501 115.700 0.021 0.000 2.488 123 S HA -0.324 nan 4.470 nan 0.000 0.246 123 S C 1.531 176.135 174.600 0.006 0.000 0.992 123 S CA 2.964 61.172 58.200 0.015 0.000 0.963 123 S CB -0.637 62.570 63.200 0.012 0.000 0.754 123 S HN -0.167 8.157 8.310 0.024 0.000 0.519 124 S N 3.628 119.332 115.700 0.006 0.000 2.345 124 S HA -0.180 nan 4.470 nan 0.000 0.219 124 S C 1.468 176.069 174.600 0.002 0.000 1.031 124 S CA 2.316 60.518 58.200 0.005 0.000 0.984 124 S CB -0.323 62.882 63.200 0.009 0.000 0.874 124 S HN -0.122 8.134 8.310 0.008 0.059 0.451 125 N N 2.209 120.909 118.700 0.000 0.000 2.627 125 N HA -0.115 nan 4.740 nan 0.000 0.196 125 N C 0.822 176.331 175.510 -0.003 0.000 1.268 125 N CA 1.643 54.691 53.050 -0.004 0.000 0.904 125 N CB -0.392 38.088 38.487 -0.012 0.000 1.016 125 N HN -0.358 8.023 8.380 0.002 0.000 0.448 126 I N 0.541 121.110 120.570 -0.002 0.000 2.252 126 I HA -0.414 nan 4.170 nan 0.000 0.245 126 I C 1.459 177.572 176.117 -0.007 0.000 1.102 126 I CA 3.597 64.894 61.300 -0.005 0.000 1.385 126 I CB -0.205 37.788 38.000 -0.012 0.000 1.064 126 I HN -0.644 7.464 8.210 -0.001 0.101 0.414 127 D N -0.639 119.757 120.400 -0.007 0.000 2.378 127 D HA -0.150 nan 4.640 nan 0.000 0.222 127 D C 0.596 176.893 176.300 -0.006 0.000 0.980 127 D CA 2.705 56.701 54.000 -0.007 0.000 0.907 127 D CB -0.345 40.451 40.800 -0.006 0.000 0.899 127 D HN -0.212 8.154 8.370 -0.006 0.000 0.527 128 C N -2.658 116.639 119.300 -0.005 0.000 3.183 128 C HA 0.166 nan 4.460 nan 0.000 0.285 128 C C 0.310 175.296 174.990 -0.006 0.000 1.313 128 C CA -0.514 58.502 59.018 -0.005 0.000 1.711 128 C CB 0.896 28.634 27.740 -0.005 0.000 2.135 128 C HN -0.637 7.405 8.230 -0.005 0.185 0.651 129 L N -2.876 118.344 121.223 -0.005 0.000 3.634 129 L HA -0.525 nan 4.340 nan 0.000 0.423 129 L C -0.850 176.018 176.870 -0.004 0.000 1.253 129 L CA 0.708 55.546 54.840 -0.003 0.000 0.885 129 L CB -2.657 39.400 42.059 -0.004 0.000 1.789 129 L HN -0.217 7.828 8.230 -0.005 0.182 0.904 130 V N -0.190 119.720 119.914 -0.007 0.000 2.481 130 V HA 0.126 nan 4.120 nan 0.000 0.286 130 V C -0.148 175.944 176.094 -0.005 0.000 1.042 130 V CA -0.556 61.734 62.300 -0.015 0.000 0.928 130 V CB 1.091 32.899 31.823 -0.024 0.000 0.986 130 V HN -0.732 7.455 8.190 -0.006 0.000 0.462 131 S N 5.545 121.241 115.700 -0.007 0.000 2.568 131 S HA 0.154 nan 4.470 nan 0.000 0.282 131 S C -0.813 173.796 174.600 0.014 0.000 1.338 131 S CA 0.708 58.916 58.200 0.014 0.000 1.045 131 S CB 0.622 63.819 63.200 -0.006 0.000 0.873 131 S HN 0.190 8.490 8.310 -0.017 0.000 0.516 132 I N -4.747 115.869 120.570 0.076 0.000 3.354 132 I HA 0.778 nan 4.170 nan 0.000 0.316 132 I C -1.895 174.313 176.117 0.150 0.000 1.182 132 I CA -2.065 59.291 61.300 0.095 0.000 0.942 132 I CB 3.841 41.915 38.000 0.124 0.000 1.299 132 I HN -0.401 7.889 8.210 0.133 0.000 0.473 133 G N -2.360 106.529 108.800 0.147 0.000 2.554 133 G HA2 0.454 nan 3.960 nan 0.000 0.306 133 G HA3 0.454 nan 3.960 nan 0.000 0.306 133 G C -2.947 172.052 174.900 0.164 0.000 1.320 133 G CA 0.097 45.219 45.100 0.037 0.000 0.800 133 G HN -0.355 8.016 8.290 0.135 0.000 0.481 134 T N 1.971 116.594 114.554 0.115 0.000 2.840 134 T HA 0.672 nan 4.350 nan 0.000 0.287 134 T C -1.136 173.703 174.700 0.231 0.000 0.991 134 T CA -0.008 62.220 62.100 0.214 0.000 0.964 134 T CB 1.197 70.217 68.868 0.252 0.000 0.954 134 T HN 0.102 8.335 8.240 -0.011 0.000 0.438 135 I N 5.831 126.544 120.570 0.238 0.000 2.562 135 I HA 0.977 nan 4.170 nan 0.000 0.301 135 I C -1.698 174.637 176.117 0.363 0.000 1.003 135 I CA -1.542 59.882 61.300 0.207 0.000 1.127 135 I CB 2.797 40.872 38.000 0.125 0.000 1.304 135 I HN 0.447 8.799 8.210 0.235 0.000 0.446 136 F N 0.976 121.016 119.950 0.150 0.000 2.601 136 F HA 0.858 nan 4.527 nan 0.000 0.309 136 F C -2.009 173.824 175.800 0.054 0.000 1.089 136 F CA -2.424 55.659 58.000 0.138 0.000 0.940 136 F CB 2.897 41.934 39.000 0.062 0.000 1.273 136 F HN 0.953 9.105 8.300 -0.246 0.000 0.450 137 G N -0.721 108.211 108.800 0.220 0.000 2.638 137 G HA2 0.788 nan 3.960 nan 0.000 0.302 137 G HA3 0.788 nan 3.960 nan 0.000 0.302 137 G C -2.944 171.916 174.900 -0.067 0.000 1.365 137 G CA -1.062 44.009 45.100 -0.049 0.000 0.987 137 G HN 0.850 9.237 8.290 0.328 0.100 0.495 138 I N 2.032 122.443 120.570 -0.264 0.000 2.647 138 I HA 0.774 nan 4.170 nan 0.000 0.295 138 I C -1.801 174.088 176.117 -0.379 0.000 1.078 138 I CA -1.495 59.702 61.300 -0.172 0.000 1.048 138 I CB 4.417 42.375 38.000 -0.070 0.000 1.239 138 I HN 0.297 8.285 8.210 -0.370 0.000 0.421 139 Y N 2.943 123.310 120.300 0.111 0.000 2.598 139 Y HA 0.615 nan 4.550 nan 0.000 0.340 139 Y C -1.742 174.302 175.900 0.240 0.000 1.038 139 Y CA -1.936 56.238 58.100 0.123 0.000 1.100 139 Y CB 3.865 42.369 38.460 0.074 0.000 1.281 139 Y HN 0.920 9.252 8.280 0.265 0.107 0.488 140 R N 0.378 121.090 120.500 0.353 0.000 2.494 140 R HA 0.408 nan 4.340 nan 0.000 0.305 140 R C -1.276 175.066 176.300 0.071 0.000 0.959 140 R CA -1.951 54.232 56.100 0.138 0.000 0.864 140 R CB 2.783 33.119 30.300 0.060 0.000 1.159 140 R HN 0.506 8.988 8.270 0.353 0.000 0.446 141 K N 5.618 126.015 120.400 -0.004 0.000 2.430 141 K HA -0.187 nan 4.320 nan 0.000 0.280 141 K C 0.147 176.736 176.600 -0.018 0.000 1.063 141 K CA 1.108 57.388 56.287 -0.011 0.000 1.071 141 K CB 0.113 32.597 32.500 -0.027 0.000 0.899 141 K HN 0.233 8.448 8.250 -0.059 0.000 0.473 142 N N 8.805 127.498 118.700 -0.013 0.000 3.131 142 N HA 0.139 nan 4.740 nan 0.000 0.312 142 N C -1.690 173.809 175.510 -0.017 0.000 1.433 142 N CA -0.241 52.802 53.050 -0.011 0.000 1.141 142 N CB -1.148 37.335 38.487 -0.007 0.000 1.431 142 N HN 0.409 8.779 8.380 -0.017 0.000 0.523 143 S N -2.527 113.162 115.700 -0.018 0.000 2.552 143 S HA 0.181 nan 4.470 nan 0.000 0.272 143 S C -0.166 174.425 174.600 -0.015 0.000 1.150 143 S CA -0.706 57.484 58.200 -0.016 0.000 0.849 143 S CB 2.123 65.312 63.200 -0.018 0.000 1.113 143 S HN -0.699 7.531 8.310 -0.021 0.067 0.458 144 T N 1.020 115.567 114.554 -0.012 0.000 2.894 144 T HA -0.104 nan 4.350 nan 0.000 0.258 144 T C 0.710 175.404 174.700 -0.009 0.000 1.043 144 T CA 0.768 62.862 62.100 -0.011 0.000 1.141 144 T CB -0.374 68.489 68.868 -0.009 0.000 0.873 144 T HN 0.450 8.683 8.240 -0.011 0.000 0.449 145 D N 0.135 120.530 120.400 -0.007 0.000 1.553 145 D HA -0.228 nan 4.640 nan 0.000 0.223 145 D C -0.600 175.700 176.300 -0.001 0.000 1.158 145 D CA 0.828 54.825 54.000 -0.004 0.000 0.971 145 D CB 0.102 40.899 40.800 -0.005 0.000 1.981 145 D HN -0.198 8.168 8.370 -0.008 0.000 0.579 146 E N -0.420 119.780 120.200 0.001 0.000 2.199 146 E HA 0.254 nan 4.350 nan 0.000 0.265 146 E C -2.141 174.462 176.600 0.006 0.000 0.882 146 E CA -2.832 53.572 56.400 0.006 0.000 0.759 146 E CB 1.725 31.429 29.700 0.007 0.000 1.148 146 E HN 0.003 8.363 8.360 0.001 0.000 0.412 147 P HA 0.006 nan 4.420 nan 0.000 0.268 147 P C -1.459 175.848 177.300 0.011 0.000 1.208 147 P CA 0.122 63.228 63.100 0.011 0.000 0.777 147 P CB 0.519 32.231 31.700 0.021 0.000 0.875 148 S N 1.292 116.996 115.700 0.006 0.000 2.596 148 S HA 0.189 nan 4.470 nan 0.000 0.270 148 S C 0.258 174.858 174.600 -0.001 0.000 1.155 148 S CA -1.672 56.531 58.200 0.004 0.000 0.827 148 S CB 2.807 66.005 63.200 -0.002 0.000 1.130 148 S HN -0.021 8.510 8.310 0.003 -0.219 0.467 149 E N 0.255 120.454 120.200 -0.002 0.000 2.515 149 E HA -0.191 nan 4.350 nan 0.000 0.201 149 E C 0.941 177.519 176.600 -0.036 0.000 1.071 149 E CA 2.009 58.402 56.400 -0.013 0.000 0.880 149 E CB -1.197 28.499 29.700 -0.007 0.000 0.828 149 E HN 0.507 8.869 8.360 0.004 0.000 0.540 150 K N 0.007 120.386 120.400 -0.034 0.000 2.155 150 K HA -0.187 nan 4.320 nan 0.000 0.203 150 K C 1.355 177.914 176.600 -0.068 0.000 1.052 150 K CA 1.877 58.135 56.287 -0.048 0.000 0.948 150 K CB -0.216 32.264 32.500 -0.033 0.000 0.728 150 K HN -0.734 7.426 8.250 -0.022 0.076 0.448 151 D N -1.165 119.202 120.400 -0.055 0.000 2.117 151 D HA -0.182 nan 4.640 nan 0.000 0.197 151 D C 1.130 177.360 176.300 -0.117 0.000 0.987 151 D CA 2.992 56.953 54.000 -0.065 0.000 0.829 151 D CB -0.257 40.527 40.800 -0.026 0.000 0.961 151 D HN -0.222 8.005 8.370 -0.036 0.121 0.460 152 A N -1.518 121.247 122.820 -0.093 0.000 1.972 152 A HA -0.172 nan 4.320 nan 0.000 0.219 152 A C 1.463 178.907 177.584 -0.232 0.000 1.169 152 A CA 2.367 54.329 52.037 -0.125 0.000 0.635 152 A CB -0.042 18.927 19.000 -0.053 0.000 0.810 152 A HN -0.528 7.490 8.150 -0.056 0.098 0.446 153 L N -1.625 119.487 121.223 -0.184 0.000 2.873 153 L HA -0.145 nan 4.340 nan 0.000 0.252 153 L C -0.521 176.216 176.870 -0.222 0.000 1.266 153 L CA -0.183 54.548 54.840 -0.181 0.000 1.111 153 L CB -2.123 39.869 42.059 -0.111 0.000 1.440 153 L HN -0.683 7.314 8.230 -0.136 0.151 0.427 154 Q N 1.262 120.821 119.800 -0.401 0.000 2.259 154 Q HA 0.129 nan 4.340 nan 0.000 0.249 154 Q C -1.951 173.877 176.000 -0.287 0.000 0.914 154 Q CA -2.380 53.178 55.803 -0.409 0.000 0.904 154 Q CB 0.530 28.867 28.738 -0.668 0.000 1.213 154 Q HN -0.466 7.360 8.270 -0.559 0.108 0.428 155 P HA 0.145 nan 4.420 nan 0.000 0.276 155 P C 0.349 177.775 177.300 0.210 0.000 1.252 155 P CA -1.122 62.008 63.100 0.050 0.000 0.802 155 P CB 1.674 33.395 31.700 0.036 0.000 1.035 156 G N -0.057 108.863 108.800 0.200 0.000 2.503 156 G HA2 -0.439 nan 3.960 nan 0.000 0.221 156 G HA3 -0.439 nan 3.960 nan 0.000 0.221 156 G C 1.322 176.355 174.900 0.222 0.000 1.131 156 G CA 2.329 47.554 45.100 0.208 0.000 0.756 156 G HN 0.759 9.129 8.290 0.135 0.000 0.572 157 R N 0.643 121.254 120.500 0.186 0.000 2.377 157 R HA -0.187 nan 4.340 nan 0.000 0.207 157 R C 0.696 177.115 176.300 0.198 0.000 1.075 157 R CA 0.848 57.054 56.100 0.178 0.000 1.035 157 R CB -0.188 30.180 30.300 0.114 0.000 0.857 157 R HN -0.326 8.017 8.270 0.147 0.015 0.475 158 N N -2.095 116.755 118.700 0.249 0.000 2.275 158 N HA 0.098 nan 4.740 nan 0.000 0.236 158 N C -1.095 174.603 175.510 0.312 0.000 1.154 158 N CA -0.310 52.896 53.050 0.260 0.000 0.866 158 N CB 0.442 39.059 38.487 0.216 0.000 1.093 158 N HN -0.198 8.185 8.380 0.302 0.178 0.515 159 L N 1.552 122.834 121.223 0.099 0.000 2.361 159 L HA -0.032 nan 4.340 nan 0.000 0.278 159 L C 0.637 177.383 176.870 -0.207 0.000 1.113 159 L CA 0.596 55.204 54.840 -0.387 0.000 0.849 159 L CB 0.230 41.777 42.059 -0.854 0.000 1.155 159 L HN -0.127 8.125 8.230 0.156 0.071 0.452 160 V N -0.986 118.851 119.914 -0.129 0.000 2.548 160 V HA -0.028 nan 4.120 nan 0.000 0.249 160 V C -0.734 175.354 176.094 -0.010 0.000 1.055 160 V CA 0.934 63.253 62.300 0.033 0.000 1.065 160 V CB -0.359 31.548 31.823 0.140 0.000 0.681 160 V HN 0.528 8.519 8.190 -0.171 0.096 0.462 161 A N -3.860 118.826 122.820 -0.223 0.000 2.573 161 A HA 0.446 nan 4.320 nan 0.000 0.299 161 A C -3.145 174.269 177.584 -0.284 0.000 1.060 161 A CA 0.412 52.358 52.037 -0.151 0.000 0.736 161 A CB 2.366 21.369 19.000 0.005 0.000 1.280 161 A HN -0.745 7.183 8.150 -0.346 0.014 0.401 162 A N 1.646 124.307 122.820 -0.266 0.000 2.401 162 A HA 1.042 nan 4.320 nan 0.000 0.310 162 A C -2.138 175.254 177.584 -0.321 0.000 1.075 162 A CA -2.038 49.826 52.037 -0.288 0.000 0.746 162 A CB 3.241 22.070 19.000 -0.284 0.000 1.277 162 A HN 0.751 8.877 8.150 -0.039 0.000 0.425 163 G N -0.851 107.415 108.800 -0.890 0.000 2.600 163 G HA2 0.942 nan 3.960 nan 0.000 0.293 163 G HA3 0.942 nan 3.960 nan 0.000 0.293 163 G C -3.398 170.765 174.900 -1.228 0.000 1.408 163 G CA 0.336 44.821 45.100 -1.025 0.000 0.782 163 G HN 0.363 7.982 8.290 -1.119 0.000 0.482 164 Y N -5.429 114.479 120.300 -0.653 0.000 2.638 164 Y HA 0.972 nan 4.550 nan 0.000 0.335 164 Y C -3.033 172.817 175.900 -0.085 0.000 1.155 164 Y CA -2.626 55.305 58.100 -0.282 0.000 1.046 164 Y CB 2.858 41.212 38.460 -0.177 0.000 1.303 164 Y HN 0.285 8.185 8.280 -0.634 0.000 0.460 165 A N -1.756 121.162 122.820 0.163 0.000 2.386 165 A HA 0.853 nan 4.320 nan 0.000 0.311 165 A C -3.059 174.369 177.584 -0.260 0.000 1.068 165 A CA -1.909 50.097 52.037 -0.051 0.000 0.743 165 A CB 2.997 21.948 19.000 -0.081 0.000 1.258 165 A HN 0.737 9.000 8.150 0.187 0.000 0.429 166 L N 1.528 122.558 121.223 -0.321 0.000 2.346 166 L HA 0.762 nan 4.340 nan 0.000 0.276 166 L C -2.162 174.465 176.870 -0.406 0.000 1.006 166 L CA -1.626 53.001 54.840 -0.356 0.000 0.817 166 L CB 4.038 45.983 42.059 -0.190 0.000 1.272 166 L HN 0.267 8.371 8.230 -0.210 0.000 0.421 167 Y N 4.601 124.913 120.300 0.019 0.000 2.842 167 Y HA 0.417 nan 4.550 nan 0.000 0.334 167 Y C -0.869 175.026 175.900 -0.010 0.000 1.019 167 Y CA -1.861 56.245 58.100 0.009 0.000 1.258 167 Y CB -0.714 37.754 38.460 0.013 0.000 1.106 167 Y HN 0.450 8.662 8.280 -0.113 0.000 0.545 168 G N 1.026 109.871 108.800 0.075 0.000 3.234 168 G HA2 0.409 nan 3.960 nan 0.000 0.159 168 G HA3 0.409 nan 3.960 nan 0.000 0.159 168 G C -0.644 174.275 174.900 0.032 0.000 1.175 168 G CA -1.231 43.890 45.100 0.035 0.000 0.900 168 G HN 0.207 8.531 8.290 0.058 0.000 0.621 169 S N 0.014 115.723 115.700 0.015 0.000 2.442 169 S HA -0.179 nan 4.470 nan 0.000 0.236 169 S C 0.320 174.926 174.600 0.010 0.000 1.007 169 S CA 1.695 59.902 58.200 0.012 0.000 0.965 169 S CB 0.162 63.367 63.200 0.008 0.000 0.773 169 S HN 0.343 8.659 8.310 0.009 0.000 0.504 170 A N 0.904 123.729 122.820 0.008 0.000 2.486 170 A HA 0.259 nan 4.320 nan 0.000 0.289 170 A C -1.942 175.646 177.584 0.007 0.000 1.176 170 A CA -0.596 51.442 52.037 0.000 0.000 0.757 170 A CB 2.382 21.378 19.000 -0.008 0.000 1.337 170 A HN -0.740 7.382 8.150 0.004 0.030 0.423 171 T N 1.387 115.940 114.554 -0.001 0.000 2.821 171 T HA 0.425 nan 4.350 nan 0.000 0.307 171 T C -1.816 172.894 174.700 0.017 0.000 1.034 171 T CA 0.242 62.356 62.100 0.023 0.000 0.953 171 T CB -0.276 68.632 68.868 0.066 0.000 0.968 171 T HN 0.448 8.672 8.240 -0.028 0.000 0.462 172 M N 8.144 127.750 119.600 0.010 0.000 2.149 172 M HA 0.511 nan 4.480 nan 0.000 0.342 172 M C -2.362 173.987 176.300 0.082 0.000 1.068 172 M CA -1.658 53.668 55.300 0.043 0.000 0.991 172 M CB 2.370 34.917 32.600 -0.088 0.000 1.596 172 M HN 0.075 8.334 8.290 -0.052 0.000 0.439 173 L N 7.469 128.827 121.223 0.226 0.000 2.307 173 L HA 0.801 nan 4.340 nan 0.000 0.282 173 L C -2.370 174.500 176.870 0.000 0.000 1.051 173 L CA -1.049 53.809 54.840 0.030 0.000 0.804 173 L CB 2.730 44.684 42.059 -0.176 0.000 1.197 173 L HN 0.634 8.994 8.230 0.400 0.110 0.431 174 V N 6.045 125.782 119.914 -0.295 0.000 2.378 174 V HA 0.638 nan 4.120 nan 0.000 0.288 174 V C -1.918 174.010 176.094 -0.275 0.000 1.016 174 V CA -1.404 60.711 62.300 -0.309 0.000 0.840 174 V CB 1.124 32.502 31.823 -0.742 0.000 0.994 174 V HN 0.892 8.795 8.190 -0.478 0.000 0.431 175 L N 8.486 129.728 121.223 0.032 0.000 2.305 175 L HA 0.848 nan 4.340 nan 0.000 0.284 175 L C -2.571 174.358 176.870 0.098 0.000 1.013 175 L CA -1.486 53.394 54.840 0.067 0.000 0.819 175 L CB 3.726 45.909 42.059 0.207 0.000 1.227 175 L HN 0.848 9.207 8.230 0.215 0.000 0.417 176 A N 7.383 130.249 122.820 0.076 0.000 2.287 176 A HA 0.863 nan 4.320 nan 0.000 0.317 176 A C -2.149 175.591 177.584 0.259 0.000 1.220 176 A CA -1.445 50.683 52.037 0.152 0.000 0.835 176 A CB 1.669 20.782 19.000 0.189 0.000 1.180 176 A HN 1.107 9.265 8.150 0.013 0.000 0.500 177 M N 2.753 122.485 119.600 0.220 0.000 2.691 177 M HA 0.526 nan 4.480 nan 0.000 0.293 177 M C 0.924 177.317 176.300 0.154 0.000 1.259 177 M CA -1.186 54.256 55.300 0.237 0.000 0.827 177 M CB 3.972 36.678 32.600 0.177 0.000 1.753 177 M HN -0.021 8.367 8.290 0.164 0.000 0.465 178 V N 1.740 121.739 119.914 0.141 0.000 2.265 178 V HA -0.591 nan 4.120 nan 0.000 0.259 178 V C 1.496 177.605 176.094 0.024 0.000 1.084 178 V CA 4.301 66.638 62.300 0.062 0.000 1.076 178 V CB -0.006 31.864 31.823 0.078 0.000 0.680 178 V HN 0.950 9.253 8.190 0.188 0.000 0.452 179 N N -2.097 116.631 118.700 0.047 0.000 2.381 179 N HA -0.160 nan 4.740 nan 0.000 0.182 179 N C 0.098 175.621 175.510 0.022 0.000 1.025 179 N CA 2.094 55.166 53.050 0.036 0.000 0.888 179 N CB 0.605 39.128 38.487 0.059 0.000 0.965 179 N HN 0.053 8.476 8.380 0.071 0.000 0.438 180 G N -4.928 103.887 108.800 0.025 0.000 2.350 180 G HA2 -0.104 nan 3.960 nan 0.000 0.276 180 G HA3 -0.104 nan 3.960 nan 0.000 0.276 180 G C -3.049 171.867 174.900 0.026 0.000 1.313 180 G CA -0.378 44.723 45.100 0.003 0.000 0.903 180 G HN -0.534 7.738 8.290 0.045 0.045 0.490 181 V N -0.285 119.629 119.914 -0.000 0.000 2.547 181 V HA 0.568 nan 4.120 nan 0.000 0.299 181 V C -1.354 174.708 176.094 -0.053 0.000 1.040 181 V CA -1.921 60.378 62.300 -0.001 0.000 0.913 181 V CB 1.629 33.443 31.823 -0.015 0.000 0.992 181 V HN 0.259 8.439 8.190 -0.018 0.000 0.449 182 N N 2.697 121.350 118.700 -0.078 0.000 2.249 182 N HA 0.615 nan 4.740 nan 0.000 0.296 182 N C -1.919 173.393 175.510 -0.331 0.000 1.051 182 N CA -0.837 52.021 53.050 -0.320 0.000 0.815 182 N CB 4.644 42.767 38.487 -0.608 0.000 1.487 182 N HN 0.226 8.616 8.380 0.017 0.000 0.475 183 C N 1.982 121.049 119.300 -0.390 0.000 2.319 183 C HA 0.875 nan 4.460 nan 0.000 0.335 183 C C -1.218 173.628 174.990 -0.240 0.000 1.274 183 C CA -0.265 58.657 59.018 -0.160 0.000 1.806 183 C CB -0.028 27.679 27.740 -0.055 0.000 2.329 183 C HN 0.173 8.149 8.230 -0.423 0.000 0.524 184 F N 3.121 123.058 119.950 -0.021 0.000 2.561 184 F HA 0.884 nan 4.527 nan 0.000 0.321 184 F C -1.633 174.237 175.800 0.117 0.000 1.065 184 F CA -2.342 55.691 58.000 0.054 0.000 0.934 184 F CB 3.609 42.687 39.000 0.128 0.000 1.215 184 F HN 1.126 9.694 8.300 0.446 0.000 0.471 185 M N 0.219 119.974 119.600 0.259 0.000 2.530 185 M HA 0.677 nan 4.480 nan 0.000 0.307 185 M C -2.256 173.979 176.300 -0.108 0.000 1.161 185 M CA -1.483 53.859 55.300 0.070 0.000 0.903 185 M CB 4.669 37.282 32.600 0.022 0.000 1.711 185 M HN 0.882 9.329 8.290 0.261 0.000 0.451 186 L N 3.744 124.786 121.223 -0.302 0.000 2.268 186 L HA 0.343 nan 4.340 nan 0.000 0.289 186 L C -1.524 175.176 176.870 -0.283 0.000 1.064 186 L CA -0.822 53.676 54.840 -0.570 0.000 0.824 186 L CB 0.302 41.949 42.059 -0.687 0.000 1.202 186 L HN 0.217 8.329 8.230 -0.195 0.000 0.433 187 D N 8.620 128.893 120.400 -0.211 0.000 2.352 187 D HA 0.235 nan 4.640 nan 0.000 0.245 187 D C -1.220 175.008 176.300 -0.121 0.000 1.224 187 D CA -2.573 51.358 54.000 -0.114 0.000 0.879 187 D CB 2.097 42.861 40.800 -0.061 0.000 1.057 187 D HN 0.487 8.721 8.370 -0.227 0.000 0.491 188 P HA -0.093 nan 4.420 nan 0.000 0.221 188 P C -0.533 176.729 177.300 -0.063 0.000 1.150 188 P CA 1.248 64.297 63.100 -0.085 0.000 0.800 188 P CB 0.149 31.809 31.700 -0.067 0.000 0.787 189 A N -1.855 120.931 122.820 -0.057 0.000 1.930 189 A HA -0.101 nan 4.320 nan 0.000 0.215 189 A C 0.939 178.494 177.584 -0.048 0.000 1.176 189 A CA 1.755 53.763 52.037 -0.050 0.000 0.632 189 A CB 0.282 19.253 19.000 -0.048 0.000 0.819 189 A HN -0.136 8.066 8.150 -0.057 -0.086 0.445 190 I N -8.963 111.580 120.570 -0.044 0.000 4.018 190 I HA 0.327 nan 4.170 nan 0.000 0.337 190 I C 0.781 176.881 176.117 -0.029 0.000 1.327 190 I CA -1.070 60.212 61.300 -0.031 0.000 1.100 190 I CB 0.790 38.782 38.000 -0.012 0.000 1.025 190 I HN -0.763 7.602 8.210 -0.049 -0.184 0.396 191 G N 0.566 109.335 108.800 -0.052 0.000 2.221 191 G HA2 -0.408 nan 3.960 nan 0.000 0.265 191 G HA3 -0.408 nan 3.960 nan 0.000 0.265 191 G C -1.060 173.810 174.900 -0.049 0.000 1.041 191 G CA 0.835 45.900 45.100 -0.058 0.000 0.807 191 G HN 0.096 8.188 8.290 -0.064 0.160 0.502 192 E N -1.464 118.697 120.200 -0.064 0.000 2.238 192 E HA 0.433 nan 4.350 nan 0.000 0.267 192 E C -1.353 175.204 176.600 -0.072 0.000 0.887 192 E CA -2.497 53.908 56.400 0.009 0.000 0.769 192 E CB 4.055 33.793 29.700 0.062 0.000 1.187 192 E HN -0.711 7.600 8.360 -0.081 0.000 0.416 193 F N 1.097 121.054 119.950 0.011 0.000 2.495 193 F HA 0.265 nan 4.527 nan 0.000 0.365 193 F C -0.074 175.790 175.800 0.107 0.000 1.090 193 F CA 1.294 59.314 58.000 0.034 0.000 1.235 193 F CB 0.429 39.389 39.000 -0.067 0.000 1.119 193 F HN 0.501 9.071 8.300 0.450 0.000 0.562 194 I N 3.176 123.885 120.570 0.233 0.000 2.509 194 I HA 0.532 nan 4.170 nan 0.000 0.293 194 I C -1.496 174.746 176.117 0.209 0.000 1.020 194 I CA -2.760 58.653 61.300 0.189 0.000 1.088 194 I CB 2.471 40.519 38.000 0.080 0.000 1.267 194 I HN 1.042 9.250 8.210 0.180 0.109 0.430 195 L N 7.867 129.160 121.223 0.117 0.000 2.410 195 L HA 0.082 nan 4.340 nan 0.000 0.273 195 L C -0.793 175.971 176.870 -0.176 0.000 1.144 195 L CA 1.072 55.794 54.840 -0.196 0.000 0.863 195 L CB 0.345 42.190 42.059 -0.356 0.000 1.140 195 L HN -0.061 8.249 8.230 0.132 0.000 0.463 196 V N 1.759 121.546 119.914 -0.211 0.000 3.432 196 V HA 0.384 nan 4.120 nan 0.000 0.298 196 V C 0.067 176.070 176.094 -0.152 0.000 1.464 196 V CA -0.468 61.755 62.300 -0.128 0.000 1.046 196 V CB 0.712 32.501 31.823 -0.057 0.000 0.887 196 V HN 0.573 8.590 8.190 -0.288 0.000 0.441 197 D N 0.519 120.774 120.400 -0.241 0.000 2.452 197 D HA 0.205 nan 4.640 nan 0.000 0.226 197 D C -2.183 173.950 176.300 -0.277 0.000 1.366 197 D CA 0.212 54.090 54.000 -0.203 0.000 0.986 197 D CB 3.042 43.749 40.800 -0.154 0.000 1.420 197 D HN -0.524 7.629 8.370 -0.363 0.000 0.583 198 R N 1.583 121.953 120.500 -0.218 0.000 2.517 198 R HA 0.076 nan 4.340 nan 0.000 0.250 198 R C -0.626 175.601 176.300 -0.122 0.000 1.213 198 R CA -0.521 55.456 56.100 -0.204 0.000 1.146 198 R CB 1.078 31.311 30.300 -0.111 0.000 1.279 198 R HN 0.003 8.177 8.270 -0.160 0.000 0.597 199 N N 0.194 118.854 118.700 -0.067 0.000 3.054 199 N HA -0.342 nan 4.740 nan 0.000 0.305 199 N C 0.141 175.621 175.510 -0.050 0.000 1.084 199 N CA 0.904 53.933 53.050 -0.036 0.000 0.842 199 N CB -0.735 37.747 38.487 -0.008 0.000 0.953 199 N HN 0.154 8.510 8.380 -0.040 0.000 0.625 200 V N 2.154 122.029 119.914 -0.065 0.000 2.637 200 V HA -0.102 nan 4.120 nan 0.000 0.296 200 V C -0.339 175.726 176.094 -0.047 0.000 1.046 200 V CA 0.782 63.044 62.300 -0.064 0.000 1.066 200 V CB 0.301 32.080 31.823 -0.074 0.000 0.968 200 V HN -0.168 7.978 8.190 -0.073 0.000 0.483 201 K N 3.719 124.091 120.400 -0.046 0.000 2.535 201 K HA 0.371 nan 4.320 nan 0.000 0.250 201 K C -1.365 175.210 176.600 -0.041 0.000 0.948 201 K CA -1.660 54.605 56.287 -0.038 0.000 0.796 201 K CB 2.507 34.987 32.500 -0.033 0.000 1.216 201 K HN -0.125 8.094 8.250 -0.052 0.000 0.432 202 I N 4.277 124.828 120.570 -0.031 0.000 3.138 202 I HA 0.055 nan 4.170 nan 0.000 0.288 202 I C -0.663 175.438 176.117 -0.026 0.000 1.148 202 I CA -0.282 61.002 61.300 -0.026 0.000 1.315 202 I CB 1.367 39.364 38.000 -0.004 0.000 1.426 202 I HN 0.216 8.411 8.210 -0.024 0.000 0.615 203 K N 4.334 124.719 120.400 -0.025 0.000 2.273 203 K HA 0.023 nan 4.320 nan 0.000 0.240 203 K C -1.028 175.571 176.600 -0.003 0.000 1.056 203 K CA 0.008 56.278 56.287 -0.028 0.000 0.910 203 K CB 0.894 33.366 32.500 -0.047 0.000 1.196 203 K HN 0.164 8.403 8.250 -0.018 0.000 0.509 204 K N -0.496 119.903 120.400 -0.001 0.000 2.161 204 K HA -0.023 nan 4.320 nan 0.000 0.205 204 K C -0.492 176.132 176.600 0.040 0.000 1.035 204 K CA 1.425 57.722 56.287 0.016 0.000 0.970 204 K CB 0.825 33.330 32.500 0.008 0.000 0.866 204 K HN 0.091 8.332 8.250 -0.014 0.000 0.461 205 K N -2.246 118.176 120.400 0.037 0.000 2.318 205 K HA 0.336 nan 4.320 nan 0.000 0.249 205 K C -0.330 176.296 176.600 0.043 0.000 0.942 205 K CA -1.501 54.827 56.287 0.068 0.000 0.808 205 K CB 2.316 34.856 32.500 0.067 0.000 1.189 205 K HN -0.639 7.620 8.250 0.015 0.000 0.428 206 G N 1.851 110.694 108.800 0.072 0.000 3.209 206 G HA2 0.487 nan 3.960 nan 0.000 0.236 206 G HA3 0.487 nan 3.960 nan 0.000 0.236 206 G C -1.731 173.034 174.900 -0.226 0.000 1.329 206 G CA -0.794 44.313 45.100 0.012 0.000 1.015 206 G HN -0.089 8.508 8.290 0.148 -0.218 0.571 207 S N -2.483 113.032 115.700 -0.308 0.000 2.949 207 S HA 0.163 nan 4.470 nan 0.000 0.246 207 S C -1.241 173.131 174.600 -0.379 0.000 0.899 207 S CA 0.087 57.814 58.200 -0.787 0.000 1.091 207 S CB 0.884 63.862 63.200 -0.368 0.000 1.199 207 S HN 0.320 8.600 8.310 -0.050 0.000 0.507 208 I N 1.561 122.153 120.570 0.036 0.000 2.686 208 I HA 0.654 nan 4.170 nan 0.000 0.295 208 I C -2.358 174.097 176.117 0.563 0.000 1.114 208 I CA -0.105 61.370 61.300 0.291 0.000 1.038 208 I CB 4.357 42.444 38.000 0.145 0.000 1.238 208 I HN -0.755 7.505 8.210 0.083 0.000 0.420 209 Y N 5.067 125.548 120.300 0.301 0.000 2.406 209 Y HA 0.774 nan 4.550 nan 0.000 0.340 209 Y C -2.508 173.529 175.900 0.229 0.000 0.975 209 Y CA -2.733 55.513 58.100 0.244 0.000 1.056 209 Y CB 2.960 41.476 38.460 0.093 0.000 1.210 209 Y HN 0.093 8.555 8.280 0.304 0.000 0.448 210 S N 3.133 118.955 115.700 0.202 0.000 2.640 210 S HA 0.634 nan 4.470 nan 0.000 0.320 210 S C -2.139 172.665 174.600 0.339 0.000 1.097 210 S CA -1.236 57.132 58.200 0.279 0.000 1.092 210 S CB 1.435 64.923 63.200 0.479 0.000 0.988 210 S HN 0.808 9.239 8.310 0.356 0.093 0.470 211 I N 4.522 125.074 120.570 -0.030 0.000 2.785 211 I HA 0.134 nan 4.170 nan 0.000 0.293 211 I C -2.930 172.760 176.117 -0.713 0.000 1.446 211 I CA -0.614 60.552 61.300 -0.223 0.000 1.028 211 I CB 4.204 42.209 38.000 0.009 0.000 1.349 211 I HN -0.290 7.806 8.210 -0.190 0.000 0.438 212 N N 6.976 125.272 118.700 -0.674 0.000 2.448 212 N HA -0.013 nan 4.740 nan 0.000 0.250 212 N C 0.385 175.876 175.510 -0.032 0.000 1.136 212 N CA -0.562 52.201 53.050 -0.478 0.000 0.953 212 N CB -0.558 37.881 38.487 -0.081 0.000 1.251 212 N HN 0.442 8.707 8.380 -0.193 0.000 0.502 213 E N 6.068 126.246 120.200 -0.038 0.000 2.485 213 E HA -0.117 nan 4.350 nan 0.000 0.194 213 E C 1.095 177.655 176.600 -0.067 0.000 1.098 213 E CA 0.551 57.003 56.400 0.087 0.000 0.878 213 E CB -0.551 29.226 29.700 0.127 0.000 0.939 213 E HN -0.056 8.221 8.360 -0.138 0.000 0.503 214 G N -0.056 108.622 108.800 -0.204 0.000 2.422 214 G HA2 -0.199 nan 3.960 nan 0.000 0.218 214 G HA3 -0.199 nan 3.960 nan 0.000 0.218 214 G C 0.841 175.598 174.900 -0.238 0.000 1.140 214 G CA 1.214 46.167 45.100 -0.245 0.000 0.775 214 G HN -0.164 8.159 8.290 -0.264 -0.192 0.545 215 Y N 0.860 120.995 120.300 -0.274 0.000 3.007 215 Y HA -0.024 nan 4.550 nan 0.000 0.390 215 Y C -0.972 174.346 175.900 -0.970 0.000 1.065 215 Y CA -2.406 55.368 58.100 -0.543 0.000 1.845 215 Y CB -2.601 35.541 38.460 -0.530 0.000 1.828 215 Y HN -0.718 7.340 8.280 -0.348 0.013 0.458 216 A N -0.317 122.274 122.820 -0.380 0.000 1.898 216 A HA -0.192 nan 4.320 nan 0.000 0.216 216 A C 1.301 178.786 177.584 -0.165 0.000 1.181 216 A CA 1.997 53.893 52.037 -0.234 0.000 0.620 216 A CB 0.295 19.270 19.000 -0.041 0.000 0.819 216 A HN -0.041 7.897 8.150 -0.211 0.086 0.442 217 K N -0.415 119.902 120.400 -0.139 0.000 1.978 217 K HA -0.298 nan 4.320 nan 0.000 0.214 217 K C 2.660 179.213 176.600 -0.078 0.000 1.049 217 K CA 2.700 58.942 56.287 -0.075 0.000 0.939 217 K CB -0.211 32.254 32.500 -0.057 0.000 0.721 217 K HN 0.254 8.422 8.250 -0.137 0.000 0.441 218 E N -2.187 117.932 120.200 -0.137 0.000 2.527 218 E HA -0.182 nan 4.350 nan 0.000 0.204 218 E C -0.736 175.876 176.600 0.020 0.000 1.132 218 E CA 0.929 57.272 56.400 -0.094 0.000 0.905 218 E CB -1.009 28.612 29.700 -0.132 0.000 0.875 218 E HN 0.348 8.604 8.360 -0.173 0.000 0.548 219 F N -1.090 118.847 119.950 -0.023 0.000 2.404 219 F HA 0.013 nan 4.527 nan 0.000 0.345 219 F C 0.440 176.199 175.800 -0.069 0.000 1.110 219 F CA -3.008 54.968 58.000 -0.040 0.000 1.130 219 F CB 0.866 39.860 39.000 -0.010 0.000 1.129 219 F HN -0.720 7.553 8.300 0.098 0.086 0.500 220 D N 4.156 124.612 120.400 0.093 0.000 2.458 220 D HA 0.070 nan 4.640 nan 0.000 0.243 220 D C -0.840 175.368 176.300 -0.153 0.000 1.146 220 D CA -1.110 52.849 54.000 -0.068 0.000 0.877 220 D CB 0.338 41.058 40.800 -0.134 0.000 1.176 220 D HN 0.416 8.857 8.370 0.117 0.000 0.461 221 P HA -0.115 nan 4.420 nan 0.000 0.234 221 P C -0.041 177.050 177.300 -0.348 0.000 1.167 221 P CA 1.245 64.198 63.100 -0.246 0.000 0.763 221 P CB -0.151 31.380 31.700 -0.281 0.000 0.835 222 A N 0.185 122.746 122.820 -0.431 0.000 1.873 222 A HA -0.239 nan 4.320 nan 0.000 0.215 222 A C 2.093 179.648 177.584 -0.049 0.000 1.186 222 A CA 3.040 54.904 52.037 -0.289 0.000 0.616 222 A CB -0.711 17.944 19.000 -0.576 0.000 0.823 222 A HN -0.449 7.339 8.150 -0.461 0.085 0.442 223 I N -3.268 117.271 120.570 -0.052 0.000 2.142 223 I HA -0.481 nan 4.170 nan 0.000 0.240 223 I C 1.932 178.059 176.117 0.017 0.000 1.078 223 I CA 2.823 64.114 61.300 -0.015 0.000 1.343 223 I CB -1.551 36.318 38.000 -0.218 0.000 1.046 223 I HN 0.262 8.394 8.210 -0.130 0.000 0.405 224 T N 0.746 115.302 114.554 0.003 0.000 2.760 224 T HA -0.379 nan 4.350 nan 0.000 0.269 224 T C 2.164 176.883 174.700 0.033 0.000 1.047 224 T CA 4.343 66.471 62.100 0.048 0.000 1.139 224 T CB -0.791 68.104 68.868 0.044 0.000 0.855 224 T HN -0.377 7.848 8.240 -0.024 0.000 0.471 225 E N 1.686 121.904 120.200 0.029 0.000 2.051 225 E HA -0.279 nan 4.350 nan 0.000 0.189 225 E C 1.476 178.113 176.600 0.062 0.000 0.979 225 E CA 2.671 59.100 56.400 0.049 0.000 0.803 225 E CB 0.000 29.755 29.700 0.091 0.000 0.761 225 E HN -0.652 7.689 8.360 0.005 0.022 0.451 226 Y N 1.031 121.300 120.300 -0.051 0.000 2.081 226 Y HA -0.426 nan 4.550 nan 0.000 0.280 226 Y C 2.120 177.912 175.900 -0.179 0.000 1.163 226 Y CA 3.128 61.169 58.100 -0.099 0.000 1.135 226 Y CB -0.141 38.270 38.460 -0.083 0.000 0.970 226 Y HN -0.597 7.731 8.280 0.194 0.068 0.498 227 I N -2.732 117.733 120.570 -0.174 0.000 2.151 227 I HA -0.652 nan 4.170 nan 0.000 0.243 227 I C 2.134 178.082 176.117 -0.282 0.000 1.080 227 I CA 4.288 65.393 61.300 -0.325 0.000 1.339 227 I CB -0.523 37.441 38.000 -0.060 0.000 1.039 227 I HN 0.120 8.336 8.210 0.010 0.000 0.409 228 Q N -1.977 117.783 119.800 -0.068 0.000 2.170 228 Q HA -0.316 nan 4.340 nan 0.000 0.203 228 Q C 2.838 178.849 176.000 0.018 0.000 0.976 228 Q CA 3.183 59.047 55.803 0.100 0.000 0.858 228 Q CB -0.765 28.023 28.738 0.084 0.000 0.907 228 Q HN -0.496 7.681 8.270 -0.033 0.073 0.433 229 R N -2.930 117.485 120.500 -0.141 0.000 2.276 229 R HA -0.222 nan 4.340 nan 0.000 0.203 229 R C 0.530 176.625 176.300 -0.340 0.000 1.017 229 R CA 2.353 58.347 56.100 -0.176 0.000 1.010 229 R CB -0.009 30.202 30.300 -0.148 0.000 0.900 229 R HN -0.260 7.795 8.270 -0.163 0.117 0.469 230 K N -3.429 116.630 120.400 -0.568 0.000 2.244 230 K HA 0.050 nan 4.320 nan 0.000 0.200 230 K C 2.046 178.411 176.600 -0.392 0.000 1.052 230 K CA 0.882 56.749 56.287 -0.700 0.000 0.980 230 K CB 0.528 32.302 32.500 -1.210 0.000 0.838 230 K HN -0.607 7.131 8.250 -0.600 0.152 0.481 231 K N 0.235 120.389 120.400 -0.411 0.000 2.001 231 K HA -0.190 nan 4.320 nan 0.000 0.208 231 K C 0.980 177.235 176.600 -0.575 0.000 1.048 231 K CA 3.279 59.298 56.287 -0.446 0.000 0.932 231 K CB 0.643 32.848 32.500 -0.493 0.000 0.715 231 K HN -0.204 7.785 8.250 -0.434 0.000 0.437 232 F N -0.637 119.258 119.950 -0.091 0.000 2.363 232 F HA 0.325 nan 4.527 nan 0.000 0.366 232 F C -2.057 173.706 175.800 -0.062 0.000 1.083 232 F CA -3.327 54.642 58.000 -0.051 0.000 1.176 232 F CB 0.116 39.090 39.000 -0.043 0.000 1.432 232 F HN -0.278 7.899 8.300 -0.022 0.109 0.482 233 P HA 0.090 nan 4.420 nan 0.000 0.267 233 P C -1.046 176.288 177.300 0.056 0.000 1.209 233 P CA -1.782 61.334 63.100 0.027 0.000 0.763 233 P CB -0.107 31.616 31.700 0.039 0.000 0.816 234 P HA -0.120 nan 4.420 nan 0.000 0.221 234 P C -0.915 176.406 177.300 0.035 0.000 1.150 234 P CA 1.981 65.105 63.100 0.039 0.000 0.800 234 P CB -0.260 31.455 31.700 0.025 0.000 0.787 235 D N -4.254 116.167 120.400 0.034 0.000 2.342 235 D HA -0.067 nan 4.640 nan 0.000 0.221 235 D C -0.512 175.809 176.300 0.035 0.000 1.101 235 D CA -0.966 53.054 54.000 0.033 0.000 0.837 235 D CB -0.839 39.981 40.800 0.033 0.000 0.938 235 D HN -0.028 8.332 8.370 0.034 0.030 0.508 236 N N 0.401 119.125 118.700 0.040 0.000 2.629 236 N HA -0.439 nan 4.740 nan 0.000 0.278 236 N C -1.142 174.390 175.510 0.036 0.000 1.102 236 N CA 1.175 54.248 53.050 0.039 0.000 0.759 236 N CB -0.930 37.578 38.487 0.034 0.000 0.911 236 N HN -0.164 8.156 8.380 0.044 0.086 0.553 237 S N 0.098 115.824 115.700 0.044 0.000 2.618 237 S HA 0.374 nan 4.470 nan 0.000 0.284 237 S C -0.897 173.728 174.600 0.042 0.000 1.102 237 S CA -0.570 57.658 58.200 0.046 0.000 0.984 237 S CB 1.556 64.797 63.200 0.069 0.000 1.280 237 S HN -0.497 7.842 8.310 0.049 0.000 0.525 238 A N 1.599 124.444 122.820 0.041 0.000 2.407 238 A HA 0.174 nan 4.320 nan 0.000 0.248 238 A C -1.987 175.639 177.584 0.069 0.000 1.082 238 A CA -1.492 50.564 52.037 0.033 0.000 0.785 238 A CB -0.954 18.050 19.000 0.006 0.000 1.020 238 A HN 0.106 8.280 8.150 0.039 0.000 0.489 239 P HA -0.135 nan 4.420 nan 0.000 0.264 239 P C -1.528 175.864 177.300 0.153 0.000 1.193 239 P CA -0.143 62.984 63.100 0.045 0.000 0.763 239 P CB 0.404 32.068 31.700 -0.061 0.000 0.810 240 Y N 3.935 124.215 120.300 -0.033 0.000 2.511 240 Y HA -0.144 nan 4.550 nan 0.000 0.347 240 Y C 1.024 177.011 175.900 0.146 0.000 1.257 240 Y CA 1.040 59.181 58.100 0.068 0.000 1.469 240 Y CB 0.835 39.351 38.460 0.094 0.000 1.353 240 Y HN 0.104 8.458 8.280 0.310 0.111 0.617 241 G N -0.230 108.716 108.800 0.244 0.000 2.320 241 G HA2 0.109 nan 3.960 nan 0.000 0.300 241 G HA3 0.109 nan 3.960 nan 0.000 0.300 241 G C -2.285 172.676 174.900 0.102 0.000 1.126 241 G CA -1.001 44.176 45.100 0.129 0.000 0.896 241 G HN 0.551 8.820 8.290 0.164 0.119 0.436 242 A N 4.311 127.136 122.820 0.008 0.000 2.450 242 A HA 0.272 nan 4.320 nan 0.000 0.255 242 A C -0.651 176.841 177.584 -0.153 0.000 1.096 242 A CA 0.439 52.319 52.037 -0.261 0.000 0.778 242 A CB 0.598 19.501 19.000 -0.161 0.000 1.031 242 A HN 0.320 8.507 8.150 0.060 0.000 0.494 243 R N 2.868 123.283 120.500 -0.143 0.000 2.707 243 R HA 0.260 nan 4.340 nan 0.000 0.272 243 R C -2.476 173.915 176.300 0.152 0.000 1.011 243 R CA -0.974 55.121 56.100 -0.008 0.000 0.893 243 R CB 4.661 34.950 30.300 -0.018 0.000 1.233 243 R HN -0.076 8.044 8.270 -0.249 0.000 0.464 244 Y N -0.378 119.901 120.300 -0.034 0.000 2.110 244 Y HA -0.099 nan 4.550 nan 0.000 0.312 244 Y C -1.233 174.668 175.900 0.001 0.000 1.176 244 Y CA -0.014 58.097 58.100 0.019 0.000 1.670 244 Y CB 0.008 38.494 38.460 0.044 0.000 1.272 244 Y HN -0.274 8.063 8.280 0.096 0.000 0.393 245 V N 4.493 124.283 119.914 -0.206 0.000 2.667 245 V HA -0.071 nan 4.120 nan 0.000 0.252 245 V C 0.320 176.249 176.094 -0.274 0.000 1.065 245 V CA 1.989 64.179 62.300 -0.183 0.000 1.083 245 V CB 0.032 31.757 31.823 -0.162 0.000 0.692 245 V HN 0.456 8.719 8.190 -0.208 -0.198 0.468 246 G N -1.772 106.675 108.800 -0.588 0.000 2.130 246 G HA2 -0.308 nan 3.960 nan 0.000 0.216 246 G HA3 -0.308 nan 3.960 nan 0.000 0.216 246 G C -1.034 173.686 174.900 -0.301 0.000 0.999 246 G CA -0.131 44.630 45.100 -0.565 0.000 0.686 246 G HN -0.265 7.871 8.290 -0.780 -0.314 0.515 247 S N -1.451 114.077 115.700 -0.286 0.000 2.672 247 S HA 0.411 nan 4.470 nan 0.000 0.291 247 S C -0.322 174.149 174.600 -0.215 0.000 1.145 247 S CA -2.221 55.874 58.200 -0.174 0.000 1.013 247 S CB 0.989 64.115 63.200 -0.124 0.000 1.017 247 S HN -0.914 7.301 8.310 -0.357 -0.119 0.487 248 M N 8.225 127.739 119.600 -0.143 0.000 2.106 248 M HA -0.384 nan 4.480 nan 0.000 0.259 248 M C 0.686 176.817 176.300 -0.281 0.000 1.068 248 M CA 4.195 59.403 55.300 -0.154 0.000 1.100 248 M CB 0.123 32.709 32.600 -0.024 0.000 1.351 248 M HN 0.327 8.665 8.290 -0.089 -0.101 0.404 249 V N -3.629 116.142 119.914 -0.239 0.000 2.407 249 V HA -0.412 nan 4.120 nan 0.000 0.248 249 V C 1.639 177.573 176.094 -0.268 0.000 1.055 249 V CA 3.490 65.599 62.300 -0.318 0.000 1.049 249 V CB -1.958 29.728 31.823 -0.227 0.000 0.662 249 V HN -0.385 7.857 8.190 -0.167 -0.152 0.455 250 A N -0.636 122.059 122.820 -0.208 0.000 1.929 250 A HA -0.292 nan 4.320 nan 0.000 0.216 250 A C 1.690 179.160 177.584 -0.190 0.000 1.176 250 A CA 3.215 55.162 52.037 -0.149 0.000 0.628 250 A CB -0.698 18.218 19.000 -0.140 0.000 0.816 250 A HN -0.355 7.672 8.150 -0.204 0.000 0.444 251 D N -0.855 119.322 120.400 -0.371 0.000 2.117 251 D HA -0.218 nan 4.640 nan 0.000 0.198 251 D C 2.570 178.559 176.300 -0.518 0.000 0.982 251 D CA 3.278 56.940 54.000 -0.563 0.000 0.828 251 D CB -0.261 39.900 40.800 -1.065 0.000 0.967 251 D HN -0.452 7.680 8.370 -0.397 0.000 0.464 252 V N 0.186 119.817 119.914 -0.472 0.000 2.255 252 V HA -0.449 nan 4.120 nan 0.000 0.247 252 V C 1.834 177.886 176.094 -0.069 0.000 1.051 252 V CA 4.950 67.104 62.300 -0.244 0.000 1.018 252 V CB -0.518 31.144 31.823 -0.267 0.000 0.641 252 V HN 0.318 8.196 8.190 -0.520 0.000 0.445 253 H N -0.135 118.877 119.070 -0.098 0.000 2.319 253 H HA -0.383 nan 4.556 nan 0.000 0.297 253 H C 1.850 177.192 175.328 0.023 0.000 1.097 253 H CA 4.050 60.123 56.048 0.042 0.000 1.285 253 H CB -0.008 29.796 29.762 0.069 0.000 1.368 253 H HN -0.581 7.698 8.280 -0.001 0.000 0.495 254 R N -2.713 117.796 120.500 0.014 0.000 2.127 254 R HA -0.331 nan 4.340 nan 0.000 0.238 254 R C 2.436 178.745 176.300 0.015 0.000 1.134 254 R CA 3.644 59.742 56.100 -0.004 0.000 0.975 254 R CB -0.210 30.070 30.300 -0.035 0.000 0.865 254 R HN -0.104 8.180 8.270 0.024 0.000 0.447 255 T N 2.505 117.055 114.554 -0.007 0.000 2.809 255 T HA -0.114 nan 4.350 nan 0.000 0.260 255 T C 2.126 176.841 174.700 0.024 0.000 1.039 255 T CA 4.071 66.197 62.100 0.044 0.000 1.141 255 T CB -0.434 68.461 68.868 0.046 0.000 0.869 255 T HN -0.413 7.696 8.240 -0.051 0.101 0.437 256 L N 1.027 122.234 121.223 -0.027 0.000 2.046 256 L HA -0.261 nan 4.340 nan 0.000 0.208 256 L C 1.230 178.052 176.870 -0.080 0.000 1.077 256 L CA 3.138 57.952 54.840 -0.043 0.000 0.747 256 L CB -0.069 41.962 42.059 -0.047 0.000 0.896 256 L HN 0.072 8.090 8.230 -0.046 0.185 0.432 257 V N -7.209 112.625 119.914 -0.134 0.000 2.426 257 V HA -0.043 nan 4.120 nan 0.000 0.242 257 V C 1.332 177.413 176.094 -0.021 0.000 1.036 257 V CA 2.481 64.722 62.300 -0.099 0.000 1.044 257 V CB -0.293 31.446 31.823 -0.140 0.000 0.688 257 V HN -0.450 7.628 8.190 -0.187 0.000 0.462 258 Y N 1.490 121.748 120.300 -0.069 0.000 2.482 258 Y HA 0.106 nan 4.550 nan 0.000 0.270 258 Y C 0.037 175.924 175.900 -0.022 0.000 1.152 258 Y CA 0.612 58.689 58.100 -0.039 0.000 1.292 258 Y CB 1.196 39.638 38.460 -0.030 0.000 1.070 258 Y HN -0.548 7.813 8.280 0.135 0.000 0.528 259 G N -1.128 107.737 108.800 0.109 0.000 2.681 259 G HA2 -0.335 nan 3.960 nan 0.000 0.220 259 G HA3 -0.335 nan 3.960 nan 0.000 0.220 259 G C -1.946 173.058 174.900 0.173 0.000 1.353 259 G CA -0.208 44.956 45.100 0.106 0.000 0.872 259 G HN -0.476 7.806 8.290 0.078 0.055 0.557 260 G N -2.160 106.751 108.800 0.186 0.000 2.479 260 G HA2 -0.253 nan 3.960 nan 0.000 0.686 260 G HA3 -0.253 nan 3.960 nan 0.000 0.686 260 G C -2.714 172.345 174.900 0.266 0.000 1.295 260 G CA -0.603 44.643 45.100 0.243 0.000 0.922 260 G HN -0.168 8.221 8.290 0.164 0.000 0.582 261 I N -0.257 120.516 120.570 0.339 0.000 2.436 261 I HA 0.717 nan 4.170 nan 0.000 0.289 261 I C -2.607 173.748 176.117 0.396 0.000 1.010 261 I CA -2.633 58.868 61.300 0.335 0.000 1.098 261 I CB 2.854 41.079 38.000 0.375 0.000 1.266 261 I HN -0.195 8.246 8.210 0.385 0.000 0.434 262 F N 10.074 130.128 119.950 0.174 0.000 2.444 262 F HA 0.743 nan 4.527 nan 0.000 0.342 262 F C -2.443 173.457 175.800 0.166 0.000 1.121 262 F CA -2.639 55.470 58.000 0.181 0.000 0.997 262 F CB 3.020 42.111 39.000 0.151 0.000 1.130 262 F HN 0.515 9.043 8.300 0.380 0.000 0.454 263 M N 9.101 128.533 119.600 -0.280 0.000 2.046 263 M HA 0.273 nan 4.480 nan 0.000 0.309 263 M C -2.344 173.714 176.300 -0.405 0.000 0.935 263 M CA -0.607 54.517 55.300 -0.293 0.000 0.915 263 M CB 2.104 34.626 32.600 -0.130 0.000 1.474 263 M HN 0.772 8.940 8.290 -0.204 0.000 0.415 264 Y N 6.564 126.561 120.300 -0.505 0.000 2.919 264 Y HA 0.434 nan 4.550 nan 0.000 0.341 264 Y C -3.038 172.781 175.900 -0.135 0.000 1.045 264 Y CA -3.304 54.632 58.100 -0.272 0.000 1.218 264 Y CB 1.818 40.148 38.460 -0.217 0.000 1.137 264 Y HN 0.569 8.656 8.280 -0.322 0.000 0.577 265 P HA 0.266 nan 4.420 nan 0.000 0.302 265 P C -1.789 175.277 177.300 -0.390 0.000 1.301 265 P CA -1.033 61.855 63.100 -0.353 0.000 0.745 265 P CB 1.299 32.822 31.700 -0.295 0.000 1.331 266 A N -3.102 119.614 122.820 -0.173 0.000 2.295 266 A HA 0.376 nan 4.320 nan 0.000 0.318 266 A C -1.317 176.241 177.584 -0.043 0.000 1.134 266 A CA -1.264 50.701 52.037 -0.120 0.000 0.827 266 A CB 1.848 20.822 19.000 -0.043 0.000 1.136 266 A HN 0.224 8.318 8.150 -0.093 0.000 0.493 267 N N 0.364 119.027 118.700 -0.060 0.000 3.294 267 N HA 0.212 nan 4.740 nan 0.000 0.355 267 N C -0.780 174.698 175.510 -0.052 0.000 1.497 267 N CA -1.109 51.919 53.050 -0.036 0.000 0.707 267 N CB 0.911 39.305 38.487 -0.154 0.000 1.732 267 N HN -0.308 8.015 8.380 -0.094 0.000 0.640 268 K N -1.804 118.559 120.400 -0.061 0.000 2.166 268 K HA -0.040 nan 4.320 nan 0.000 0.201 268 K C 0.628 177.199 176.600 -0.049 0.000 1.052 268 K CA 1.467 57.728 56.287 -0.043 0.000 0.969 268 K CB 0.001 32.480 32.500 -0.034 0.000 0.761 268 K HN 0.363 8.570 8.250 -0.071 0.000 0.459 269 K N -2.577 117.777 120.400 -0.078 0.000 2.280 269 K HA -0.144 nan 4.320 nan 0.000 0.202 269 K C 0.344 176.918 176.600 -0.043 0.000 1.047 269 K CA 1.526 57.774 56.287 -0.064 0.000 0.942 269 K CB -0.414 32.029 32.500 -0.096 0.000 0.739 269 K HN 0.064 8.282 8.250 -0.111 -0.034 0.457 270 S N -1.196 114.473 115.700 -0.052 0.000 2.204 270 S HA 0.451 nan 4.470 nan 0.000 0.147 270 S C -1.509 173.084 174.600 -0.012 0.000 1.711 270 S CA -2.738 55.458 58.200 -0.006 0.000 1.274 270 S CB 0.608 63.825 63.200 0.029 0.000 1.257 270 S HN -0.222 8.332 8.310 -0.087 -0.296 0.404 271 P HA -0.106 nan 4.420 nan 0.000 0.226 271 P C -0.535 176.764 177.300 -0.002 0.000 1.153 271 P CA 1.526 64.619 63.100 -0.012 0.000 0.777 271 P CB 0.165 31.860 31.700 -0.008 0.000 0.794 272 K N -2.406 117.999 120.400 0.009 0.000 2.576 272 K HA 0.100 nan 4.320 nan 0.000 0.209 272 K C -0.571 176.044 176.600 0.024 0.000 1.049 272 K CA -0.625 55.671 56.287 0.015 0.000 1.140 272 K CB 0.089 32.601 32.500 0.020 0.000 0.871 272 K HN -0.484 7.740 8.250 0.014 0.034 0.479 273 G N -0.352 108.460 108.800 0.019 0.000 2.756 273 G HA2 -0.392 nan 3.960 nan 0.000 0.678 273 G HA3 -0.392 nan 3.960 nan 0.000 0.678 273 G C -2.030 172.949 174.900 0.132 0.000 1.349 273 G CA -0.329 44.802 45.100 0.051 0.000 0.847 273 G HN -0.250 7.876 8.290 0.001 0.166 0.548 274 K N -0.411 120.155 120.400 0.276 0.000 2.365 274 K HA 0.099 nan 4.320 nan 0.000 0.195 274 K C -0.127 176.583 176.600 0.183 0.000 1.079 274 K CA -0.038 56.395 56.287 0.244 0.000 0.979 274 K CB 1.135 33.826 32.500 0.317 0.000 0.929 274 K HN 0.247 8.739 8.250 0.403 0.000 0.523 275 L N 0.913 122.261 121.223 0.207 0.000 2.313 275 L HA 0.020 nan 4.340 nan 0.000 0.282 275 L C -0.630 176.316 176.870 0.126 0.000 1.092 275 L CA -0.912 54.024 54.840 0.160 0.000 0.831 275 L CB 0.270 42.438 42.059 0.182 0.000 1.159 275 L HN -0.359 8.031 8.230 0.266 0.000 0.442 276 R N 4.509 125.094 120.500 0.142 0.000 2.343 276 R HA -0.109 nan 4.340 nan 0.000 0.326 276 R C 0.970 177.223 176.300 -0.077 0.000 1.055 276 R CA -0.597 55.551 56.100 0.081 0.000 0.961 276 R CB -0.771 29.692 30.300 0.272 0.000 0.978 276 R HN 0.317 8.701 8.270 0.190 0.000 0.443 277 L N 8.108 129.275 121.223 -0.094 0.000 1.991 277 L HA -0.372 nan 4.340 nan 0.000 0.221 277 L C 1.110 177.863 176.870 -0.195 0.000 1.079 277 L CA 3.671 58.451 54.840 -0.101 0.000 0.778 277 L CB -0.210 41.805 42.059 -0.073 0.000 0.893 277 L HN 0.523 8.721 8.230 -0.055 0.000 0.437 278 L N -3.183 117.814 121.223 -0.375 0.000 2.089 278 L HA -0.384 nan 4.340 nan 0.000 0.213 278 L C 0.398 177.008 176.870 -0.433 0.000 1.079 278 L CA 3.153 57.727 54.840 -0.443 0.000 0.758 278 L CB -0.008 41.675 42.059 -0.627 0.000 0.891 278 L HN -0.079 7.922 8.230 -0.382 0.000 0.433 279 Y N -11.273 109.053 120.300 0.043 0.000 2.610 279 Y HA 0.267 nan 4.550 nan 0.000 0.254 279 Y C 0.067 176.002 175.900 0.059 0.000 1.110 279 Y CA -1.579 56.557 58.100 0.059 0.000 1.238 279 Y CB 0.804 39.297 38.460 0.055 0.000 1.322 279 Y HN -0.796 6.794 8.280 -1.117 0.020 0.547 280 E N 0.177 120.454 120.200 0.128 0.000 2.184 280 E HA 0.130 nan 4.350 nan 0.000 0.194 280 E C 1.242 177.891 176.600 0.081 0.000 0.978 280 E CA 1.560 58.052 56.400 0.153 0.000 0.998 280 E CB 1.187 30.994 29.700 0.178 0.000 1.240 280 E HN 0.153 8.486 8.360 -0.045 0.000 0.492 281 C N 0.461 119.801 119.300 0.067 0.000 2.413 281 C HA -0.223 nan 4.460 nan 0.000 0.276 281 C C 2.171 177.194 174.990 0.055 0.000 1.248 281 C CA 3.690 62.750 59.018 0.070 0.000 1.742 281 C CB -1.514 26.263 27.740 0.061 0.000 2.017 281 C HN -0.020 8.247 8.230 0.062 0.000 0.481 282 N N 0.285 119.002 118.700 0.029 0.000 2.080 282 N HA -0.067 nan 4.740 nan 0.000 0.189 282 N C -1.094 174.438 175.510 0.037 0.000 1.036 282 N CA 4.489 57.561 53.050 0.038 0.000 0.846 282 N CB -1.520 36.982 38.487 0.026 0.000 1.015 282 N HN 0.161 8.430 8.380 0.001 0.112 0.423 283 P HA -0.254 nan 4.420 nan 0.000 0.215 283 P C 1.417 178.753 177.300 0.060 0.000 1.153 283 P CA 2.944 66.036 63.100 -0.014 0.000 0.853 283 P CB -0.136 31.550 31.700 -0.023 0.000 0.788 284 M N -2.670 116.967 119.600 0.062 0.000 2.082 284 M HA -0.417 nan 4.480 nan 0.000 0.258 284 M C 2.057 178.428 176.300 0.119 0.000 1.071 284 M CA 2.036 57.381 55.300 0.076 0.000 1.103 284 M CB -1.400 31.229 32.600 0.047 0.000 1.307 284 M HN -0.457 7.861 8.290 0.046 0.000 0.409 285 A N -0.988 121.899 122.820 0.111 0.000 1.892 285 A HA -0.371 nan 4.320 nan 0.000 0.218 285 A C 1.874 179.550 177.584 0.154 0.000 1.188 285 A CA 3.206 55.312 52.037 0.115 0.000 0.631 285 A CB -1.160 17.900 19.000 0.099 0.000 0.822 285 A HN 0.129 8.335 8.150 0.094 0.000 0.447 286 Y N -1.179 119.131 120.300 0.017 0.000 2.145 286 Y HA -0.521 nan 4.550 nan 0.000 0.286 286 Y C 2.040 177.949 175.900 0.015 0.000 1.145 286 Y CA 4.407 62.511 58.100 0.008 0.000 1.148 286 Y CB 0.291 38.741 38.460 -0.017 0.000 0.981 286 Y HN -0.140 8.282 8.280 0.237 0.000 0.507 287 V N -0.072 120.012 119.914 0.284 0.000 2.219 287 V HA -0.609 nan 4.120 nan 0.000 0.248 287 V C 2.032 178.180 176.094 0.090 0.000 1.053 287 V CA 4.455 66.861 62.300 0.178 0.000 1.009 287 V CB -0.668 31.284 31.823 0.216 0.000 0.636 287 V HN -0.139 8.222 8.190 0.285 0.000 0.445 288 M N -1.536 118.129 119.600 0.107 0.000 2.110 288 M HA -0.493 nan 4.480 nan 0.000 0.257 288 M C 2.574 178.890 176.300 0.027 0.000 1.071 288 M CA 2.515 57.859 55.300 0.073 0.000 1.096 288 M CB -0.638 32.016 32.600 0.089 0.000 1.300 288 M HN 0.254 8.528 8.290 0.142 0.102 0.411 289 E N -1.432 118.772 120.200 0.007 0.000 2.106 289 E HA -0.313 nan 4.350 nan 0.000 0.192 289 E C 2.597 179.152 176.600 -0.075 0.000 0.984 289 E CA 2.794 59.177 56.400 -0.029 0.000 0.806 289 E CB -0.151 29.529 29.700 -0.033 0.000 0.750 289 E HN 0.277 8.547 8.360 0.027 0.107 0.458 290 K N -2.238 118.081 120.400 -0.134 0.000 2.519 290 K HA -0.203 nan 4.320 nan 0.000 0.196 290 K C 0.469 177.022 176.600 -0.079 0.000 1.041 290 K CA 1.713 57.904 56.287 -0.159 0.000 0.954 290 K CB -0.356 31.995 32.500 -0.248 0.000 0.774 290 K HN -0.120 8.043 8.250 -0.145 0.000 0.480 291 A N -5.213 117.580 122.820 -0.045 0.000 2.390 291 A HA 0.307 nan 4.320 nan 0.000 0.232 291 A C -0.812 176.759 177.584 -0.021 0.000 1.233 291 A CA -0.638 51.382 52.037 -0.028 0.000 0.907 291 A CB 1.177 20.169 19.000 -0.014 0.000 0.967 291 A HN -0.586 7.357 8.150 -0.036 0.186 0.512 292 G N -2.801 105.986 108.800 -0.021 0.000 2.309 292 G HA2 -0.245 nan 3.960 nan 0.000 0.183 292 G HA3 -0.245 nan 3.960 nan 0.000 0.183 292 G C -1.441 173.460 174.900 0.001 0.000 1.063 292 G CA -0.058 45.035 45.100 -0.012 0.000 0.768 292 G HN -0.027 8.135 8.290 -0.029 0.110 0.490 293 G N -2.980 105.823 108.800 0.005 0.000 2.718 293 G HA2 0.512 nan 3.960 nan 0.000 0.295 293 G HA3 0.512 nan 3.960 nan 0.000 0.295 293 G C -2.116 172.793 174.900 0.015 0.000 1.421 293 G CA -0.780 44.332 45.100 0.019 0.000 0.902 293 G HN -0.832 7.457 8.290 -0.002 0.000 0.501 294 L N -0.004 121.227 121.223 0.013 0.000 2.325 294 L HA 0.197 nan 4.340 nan 0.000 0.278 294 L C -1.346 175.529 176.870 0.008 0.000 1.023 294 L CA -1.008 53.834 54.840 0.004 0.000 0.811 294 L CB 3.016 45.068 42.059 -0.012 0.000 1.249 294 L HN -0.314 7.926 8.230 0.016 0.000 0.431 295 A N 3.131 125.959 122.820 0.013 0.000 2.273 295 A HA 0.519 nan 4.320 nan 0.000 0.320 295 A C -1.646 175.932 177.584 -0.010 0.000 1.358 295 A CA -1.216 50.832 52.037 0.017 0.000 0.910 295 A CB 1.321 20.349 19.000 0.047 0.000 1.159 295 A HN 0.035 8.379 8.150 0.013 -0.186 0.526 296 T N 5.946 120.471 114.554 -0.047 0.000 2.887 296 T HA 0.620 nan 4.350 nan 0.000 0.288 296 T C 0.934 175.568 174.700 -0.110 0.000 1.021 296 T CA -1.629 60.422 62.100 -0.082 0.000 1.000 296 T CB 3.100 71.895 68.868 -0.122 0.000 1.034 296 T HN -0.022 8.186 8.240 -0.054 0.000 0.467 297 T N 3.161 117.656 114.554 -0.099 0.000 2.867 297 T HA 0.064 nan 4.350 nan 0.000 0.268 297 T C 0.812 175.394 174.700 -0.197 0.000 1.057 297 T CA 2.180 64.220 62.100 -0.099 0.000 1.136 297 T CB 0.464 69.301 68.868 -0.051 0.000 0.874 297 T HN 0.780 8.974 8.240 -0.076 0.000 0.466 298 G N 1.498 110.133 108.800 -0.277 0.000 4.220 298 G HA2 -0.170 nan 3.960 nan 0.000 0.197 298 G HA3 -0.170 nan 3.960 nan 0.000 0.197 298 G C 0.384 175.114 174.900 -0.283 0.000 1.518 298 G CA 0.098 44.850 45.100 -0.579 0.000 0.955 298 G HN -0.712 7.425 8.290 -0.202 0.032 0.353 299 K N 2.331 122.688 120.400 -0.072 0.000 2.005 299 K HA -0.092 nan 4.320 nan 0.000 0.206 299 K C 0.450 177.035 176.600 -0.025 0.000 1.044 299 K CA 1.636 57.926 56.287 0.005 0.000 0.942 299 K CB 0.626 33.147 32.500 0.035 0.000 0.727 299 K HN -0.268 7.951 8.250 -0.051 0.000 0.439 300 E N -1.119 119.062 120.200 -0.032 0.000 2.299 300 E HA 0.208 nan 4.350 nan 0.000 0.265 300 E C -1.961 174.619 176.600 -0.034 0.000 0.911 300 E CA -1.734 54.651 56.400 -0.025 0.000 0.789 300 E CB 2.592 32.287 29.700 -0.008 0.000 1.246 300 E HN -0.732 7.608 8.360 -0.034 0.000 0.427 301 A N 0.221 123.028 122.820 -0.022 0.000 2.520 301 A HA -0.029 nan 4.320 nan 0.000 0.245 301 A C 1.349 178.933 177.584 -0.000 0.000 1.072 301 A CA 0.384 52.413 52.037 -0.014 0.000 0.761 301 A CB 0.364 19.363 19.000 -0.002 0.000 1.004 301 A HN 0.405 8.546 8.150 -0.015 0.000 0.499 302 V N 4.401 124.317 119.914 0.003 0.000 2.469 302 V HA -0.374 nan 4.120 nan 0.000 0.251 302 V C 1.809 177.924 176.094 0.035 0.000 1.064 302 V CA 3.766 66.076 62.300 0.016 0.000 1.066 302 V CB -0.647 31.190 31.823 0.024 0.000 0.667 302 V HN 0.406 8.477 8.190 -0.004 0.117 0.461 303 L N -3.274 117.979 121.223 0.050 0.000 2.376 303 L HA -0.248 nan 4.340 nan 0.000 0.219 303 L C 0.838 177.748 176.870 0.067 0.000 1.133 303 L CA 2.117 57.003 54.840 0.077 0.000 0.816 303 L CB -0.594 41.528 42.059 0.104 0.000 0.933 303 L HN -0.173 8.055 8.230 0.044 0.028 0.449 304 D N -2.869 117.556 120.400 0.043 0.000 2.369 304 D HA 0.033 nan 4.640 nan 0.000 0.211 304 D C -0.159 176.154 176.300 0.021 0.000 1.077 304 D CA 0.673 54.694 54.000 0.035 0.000 0.842 304 D CB 0.604 41.420 40.800 0.026 0.000 0.947 304 D HN -0.679 7.674 8.370 0.033 0.037 0.509 305 I N 1.090 121.670 120.570 0.016 0.000 2.556 305 I HA -0.185 nan 4.170 nan 0.000 0.284 305 I C -0.423 175.693 176.117 -0.001 0.000 1.114 305 I CA 0.371 61.675 61.300 0.005 0.000 1.418 305 I CB 0.512 38.512 38.000 0.001 0.000 1.394 305 I HN -0.983 7.240 8.210 0.021 0.000 0.552 306 V N 7.170 127.080 119.914 -0.008 0.000 2.450 306 V HA -0.034 nan 4.120 nan 0.000 0.281 306 V C -1.428 174.648 176.094 -0.031 0.000 1.019 306 V CA -2.034 60.254 62.300 -0.019 0.000 1.062 306 V CB -0.441 31.372 31.823 -0.017 0.000 0.979 306 V HN 0.201 8.388 8.190 -0.005 0.000 0.477 307 P HA 0.086 nan 4.420 nan 0.000 0.275 307 P C -1.006 176.255 177.300 -0.065 0.000 1.276 307 P CA -0.198 62.862 63.100 -0.066 0.000 0.782 307 P CB 0.131 31.776 31.700 -0.093 0.000 0.851 308 T N 0.492 115.015 114.554 -0.052 0.000 2.990 308 T HA -0.058 nan 4.350 nan 0.000 0.237 308 T C -0.443 174.232 174.700 -0.043 0.000 1.009 308 T CA 0.455 62.531 62.100 -0.040 0.000 1.195 308 T CB 0.909 69.763 68.868 -0.023 0.000 0.885 308 T HN -0.204 8.244 8.240 -0.048 -0.237 0.424 309 D N 0.661 121.037 120.400 -0.040 0.000 2.163 309 D HA 0.204 nan 4.640 nan 0.000 0.248 309 D C 1.071 177.302 176.300 -0.114 0.000 1.035 309 D CA -1.116 52.863 54.000 -0.035 0.000 0.872 309 D CB 2.149 42.959 40.800 0.018 0.000 1.183 309 D HN -0.645 7.703 8.370 -0.036 0.000 0.445 310 I N -1.070 119.380 120.570 -0.199 0.000 2.850 310 I HA -0.222 nan 4.170 nan 0.000 0.266 310 I C -0.123 175.601 176.117 -0.655 0.000 1.257 310 I CA 1.687 62.753 61.300 -0.390 0.000 1.465 310 I CB -0.301 37.471 38.000 -0.381 0.000 1.091 310 I HN 0.536 8.666 8.210 -0.134 0.000 0.467 311 H N -2.727 116.359 119.070 0.028 0.000 2.469 311 H HA 0.250 nan 4.556 nan 0.000 0.286 311 H C -0.614 174.728 175.328 0.023 0.000 1.106 311 H CA -1.728 54.367 56.048 0.078 0.000 1.055 311 H CB -0.471 29.357 29.762 0.110 0.000 1.618 311 H HN -0.829 7.406 8.280 -0.205 -0.078 0.559 312 Q N 1.453 121.231 119.800 -0.036 0.000 2.297 312 Q HA -0.072 nan 4.340 nan 0.000 0.267 312 Q C -1.033 174.963 176.000 -0.006 0.000 1.006 312 Q CA 0.043 55.841 55.803 -0.008 0.000 0.896 312 Q CB 0.877 29.593 28.738 -0.036 0.000 1.186 312 Q HN 0.015 8.069 8.270 -0.129 0.139 0.392 313 R N 3.301 123.821 120.500 0.034 0.000 2.577 313 R HA 0.491 nan 4.340 nan 0.000 0.269 313 R C -1.658 174.660 176.300 0.029 0.000 1.084 313 R CA -0.458 55.670 56.100 0.047 0.000 1.163 313 R CB 1.471 31.813 30.300 0.070 0.000 1.100 313 R HN 0.309 8.605 8.270 0.043 0.000 0.547 314 A N -0.662 122.182 122.820 0.041 0.000 2.555 314 A HA 0.385 nan 4.320 nan 0.000 0.297 314 A C -3.401 174.210 177.584 0.045 0.000 1.060 314 A CA -1.901 50.154 52.037 0.030 0.000 0.710 314 A CB 1.699 20.707 19.000 0.014 0.000 1.282 314 A HN 0.048 8.235 8.150 0.061 0.000 0.399 315 P HA 0.341 nan 4.420 nan 0.000 0.273 315 P C -1.676 175.624 177.300 -0.000 0.000 1.250 315 P CA -0.586 62.516 63.100 0.004 0.000 0.793 315 P CB 0.790 32.463 31.700 -0.043 0.000 1.011 316 I N -0.361 120.202 120.570 -0.012 0.000 2.743 316 I HA 0.246 nan 4.170 nan 0.000 0.292 316 I C -2.317 173.764 176.117 -0.061 0.000 1.343 316 I CA -0.593 60.701 61.300 -0.010 0.000 1.038 316 I CB 3.932 41.971 38.000 0.066 0.000 1.311 316 I HN 0.148 8.342 8.210 -0.027 0.000 0.426 317 I N 6.939 127.461 120.570 -0.078 0.000 2.498 317 I HA 0.841 nan 4.170 nan 0.000 0.290 317 I C -2.158 173.957 176.117 -0.004 0.000 1.032 317 I CA -1.046 60.202 61.300 -0.087 0.000 1.073 317 I CB 2.791 40.683 38.000 -0.180 0.000 1.251 317 I HN 0.558 8.722 8.210 -0.077 0.000 0.426 318 L N 1.391 122.666 121.223 0.085 0.000 2.510 318 L HA 0.869 nan 4.340 nan 0.000 0.252 318 L C -1.500 175.460 176.870 0.150 0.000 1.091 318 L CA -1.666 53.243 54.840 0.115 0.000 0.888 318 L CB 3.140 45.289 42.059 0.151 0.000 1.507 318 L HN 0.899 9.201 8.230 0.120 0.000 0.407 319 G N -3.976 104.895 108.800 0.117 0.000 2.331 319 G HA2 -0.198 nan 3.960 nan 0.000 0.479 319 G HA3 -0.198 nan 3.960 nan 0.000 0.479 319 G C -1.592 173.358 174.900 0.085 0.000 1.262 319 G CA -0.525 44.645 45.100 0.116 0.000 1.029 319 G HN -0.640 7.704 8.290 0.090 0.000 0.487 320 S N 1.979 117.731 115.700 0.087 0.000 2.558 320 S HA -0.060 nan 4.470 nan 0.000 0.293 320 S C -0.025 174.617 174.600 0.070 0.000 1.292 320 S CA -0.445 57.796 58.200 0.068 0.000 1.063 320 S CB -0.130 63.112 63.200 0.071 0.000 0.831 320 S HN -0.092 8.278 8.310 0.101 0.000 0.499 321 P HA -0.158 nan 4.420 nan 0.000 0.215 321 P C 1.136 178.462 177.300 0.043 0.000 1.157 321 P CA 2.598 65.718 63.100 0.033 0.000 0.863 321 P CB 0.273 31.985 31.700 0.020 0.000 0.787 322 E N -1.786 118.449 120.200 0.057 0.000 2.333 322 E HA -0.361 nan 4.350 nan 0.000 0.200 322 E C 2.565 179.225 176.600 0.101 0.000 1.010 322 E CA 3.014 59.456 56.400 0.070 0.000 0.841 322 E CB -0.619 29.128 29.700 0.078 0.000 0.757 322 E HN -0.384 8.008 8.360 0.055 0.000 0.508 323 D N -0.276 120.200 120.400 0.126 0.000 2.259 323 D HA -0.005 nan 4.640 nan 0.000 0.216 323 D C 2.151 178.488 176.300 0.063 0.000 0.961 323 D CA 3.296 57.403 54.000 0.179 0.000 0.878 323 D CB 0.558 41.520 40.800 0.271 0.000 1.009 323 D HN -0.447 7.944 8.370 0.116 0.048 0.490 324 V N 1.133 121.063 119.914 0.027 0.000 2.282 324 V HA -0.476 nan 4.120 nan 0.000 0.249 324 V C 2.279 178.317 176.094 -0.094 0.000 1.057 324 V CA 5.008 67.275 62.300 -0.055 0.000 1.032 324 V CB -0.671 31.137 31.823 -0.025 0.000 0.645 324 V HN -0.401 7.825 8.190 0.061 0.000 0.447 325 T N 0.862 115.393 114.554 -0.039 0.000 2.770 325 T HA -0.290 nan 4.350 nan 0.000 0.263 325 T C 1.336 176.020 174.700 -0.028 0.000 1.039 325 T CA 4.941 67.021 62.100 -0.033 0.000 1.142 325 T CB -0.518 68.347 68.868 -0.004 0.000 0.868 325 T HN 0.422 8.657 8.240 -0.008 0.000 0.435 326 E N 1.717 121.925 120.200 0.013 0.000 2.219 326 E HA -0.336 nan 4.350 nan 0.000 0.198 326 E C 1.836 178.435 176.600 -0.001 0.000 0.998 326 E CA 3.102 59.536 56.400 0.056 0.000 0.818 326 E CB -0.100 29.697 29.700 0.161 0.000 0.741 326 E HN -0.418 7.850 8.360 0.040 0.116 0.477 327 L N -0.942 120.156 121.223 -0.208 0.000 2.130 327 L HA -0.066 nan 4.340 nan 0.000 0.200 327 L C 1.357 178.142 176.870 -0.141 0.000 1.075 327 L CA 2.301 56.914 54.840 -0.379 0.000 0.768 327 L CB 0.458 41.979 42.059 -0.896 0.000 0.933 327 L HN -0.500 7.587 8.230 -0.216 0.013 0.451 328 L N -0.937 120.202 121.223 -0.139 0.000 2.034 328 L HA -0.627 nan 4.340 nan 0.000 0.217 328 L C 1.924 178.800 176.870 0.011 0.000 1.077 328 L CA 3.544 58.336 54.840 -0.080 0.000 0.769 328 L CB -0.294 41.716 42.059 -0.082 0.000 0.890 328 L HN 0.290 8.251 8.230 -0.172 0.165 0.435 329 E N -1.963 118.238 120.200 0.003 0.000 2.110 329 E HA -0.351 nan 4.350 nan 0.000 0.193 329 E C 2.661 179.276 176.600 0.026 0.000 0.988 329 E CA 2.898 59.306 56.400 0.013 0.000 0.804 329 E CB -0.555 29.148 29.700 0.004 0.000 0.745 329 E HN -0.256 8.095 8.360 -0.016 0.000 0.458 330 I N -0.678 119.920 120.570 0.047 0.000 2.439 330 I HA -0.413 nan 4.170 nan 0.000 0.251 330 I C 1.715 177.924 176.117 0.153 0.000 1.139 330 I CA 2.939 64.278 61.300 0.066 0.000 1.438 330 I CB -0.249 37.822 38.000 0.119 0.000 1.085 330 I HN -0.406 7.739 8.210 0.040 0.089 0.427 331 Y N -0.415 119.888 120.300 0.005 0.000 2.293 331 Y HA -0.347 nan 4.550 nan 0.000 0.291 331 Y C 2.029 177.937 175.900 0.013 0.000 1.137 331 Y CA 3.987 62.097 58.100 0.018 0.000 1.202 331 Y CB 0.043 38.480 38.460 -0.039 0.000 0.990 331 Y HN -0.412 7.928 8.280 0.252 0.092 0.537 332 Q N -2.462 117.422 119.800 0.140 0.000 2.378 332 Q HA -0.176 nan 4.340 nan 0.000 0.205 332 Q C 1.208 177.205 176.000 -0.005 0.000 0.954 332 Q CA 1.920 57.758 55.803 0.058 0.000 0.901 332 Q CB 0.123 28.881 28.738 0.033 0.000 0.981 332 Q HN -0.069 8.198 8.270 0.137 0.085 0.483 333 K N -1.895 118.470 120.400 -0.059 0.000 2.446 333 K HA -0.045 nan 4.320 nan 0.000 0.203 333 K C -0.321 176.069 176.600 -0.349 0.000 1.027 333 K CA 0.774 56.949 56.287 -0.187 0.000 1.166 333 K CB -0.122 32.255 32.500 -0.205 0.000 0.869 333 K HN -0.477 7.575 8.250 -0.024 0.183 0.504 334 H N -2.616 116.421 119.070 -0.055 0.000 3.650 334 H HA 0.127 nan 4.556 nan 0.000 0.260 334 H C -1.019 174.259 175.328 -0.083 0.000 1.194 334 H CA -0.078 55.919 56.048 -0.085 0.000 1.135 334 H CB 1.723 31.395 29.762 -0.150 0.000 1.612 334 H HN -0.231 7.959 8.280 -0.014 0.082 0.703 335 A N 0.000 122.839 122.820 0.032 0.000 2.254 335 A HA 0.000 nan 4.320 nan 0.000 0.244 335 A CA 0.000 52.044 52.037 0.012 0.000 0.836 335 A CB 0.000 19.011 19.000 0.017 0.000 0.831 335 A HN 0.000 8.159 8.150 0.015 0.000 0.486