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 1gv1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKITVIGAGN VGATTAFRIA DKKLARELVL LDVVEGIPQG KGLDMYETGP DATA SEQUENCE VGLFDTKITG SNDYADTADS DIVIITAGLX XXXXXXXXDL LMKNAGIVKE DATA SEQUENCE VTDNIMKHSK NPIIIVVSNP LDIMTHVAWV RSGLPKERVI GMAGVLDAAR DATA SEQUENCE FRSFIAMELG VSMQDINACV LGGHGDAMVP VVKYTTVAGI PISDLLPAET DATA SEQUENCE IDKLVERTRN GGAEIVEHLK QGSAFYAPAS SVVEMVESIV LDRKRVLPCA DATA SEQUENCE VGLEGQYGID KTFVGVPVKL GRNGVEQIYE INLDQADLDL LQKSAKIVD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 5.641 126.061 120.400 0.033 0.000 2.358 2 K HA 0.838 5.158 4.320 -0.000 0.000 0.260 2 K C -1.607 175.016 176.600 0.038 0.000 0.956 2 K CA -0.487 55.823 56.287 0.037 0.000 0.834 2 K CB 1.144 33.667 32.500 0.039 0.000 1.102 2 K HN 0.832 nan 8.250 nan 0.000 0.431 3 I N 2.240 122.833 120.570 0.038 0.000 2.693 3 I HA 0.354 4.523 4.170 -0.000 0.000 0.303 3 I C -0.495 175.648 176.117 0.042 0.000 1.025 3 I CA -1.027 60.296 61.300 0.039 0.000 1.086 3 I CB 2.560 40.579 38.000 0.032 0.000 1.268 3 I HN 0.572 nan 8.210 nan 0.000 0.440 4 T N 3.729 118.310 114.554 0.046 0.000 2.879 4 T HA 0.477 4.826 4.350 -0.000 0.000 0.290 4 T C -0.634 174.092 174.700 0.045 0.000 0.993 4 T CA -0.422 61.706 62.100 0.046 0.000 0.975 4 T CB 1.949 70.853 68.868 0.059 0.000 0.981 4 T HN 0.177 nan 8.240 nan 0.000 0.439 5 V N 4.693 124.627 119.914 0.034 0.000 2.513 5 V HA 0.542 4.662 4.120 -0.000 0.000 0.299 5 V C -0.473 175.632 176.094 0.019 0.000 1.035 5 V CA -0.953 61.366 62.300 0.032 0.000 0.889 5 V CB 1.657 33.498 31.823 0.031 0.000 0.988 5 V HN 0.716 nan 8.190 nan 0.000 0.440 6 I N 3.924 124.510 120.570 0.026 0.000 2.355 6 I HA 0.763 4.933 4.170 -0.000 0.000 0.288 6 I C 0.537 176.659 176.117 0.009 0.000 0.999 6 I CA 0.031 61.342 61.300 0.018 0.000 1.163 6 I CB 0.679 38.714 38.000 0.057 0.000 1.316 6 I HN 0.909 nan 8.210 nan 0.000 0.454 7 G N 4.568 113.361 108.800 -0.012 0.000 3.363 7 G HA2 0.184 4.144 3.960 -0.000 0.000 0.685 7 G HA3 0.184 4.144 3.960 -0.000 0.000 0.685 7 G C -0.281 174.602 174.900 -0.028 0.000 1.199 7 G CA -0.328 44.761 45.100 -0.017 0.000 0.946 7 G HN 0.898 nan 8.290 nan 0.000 0.558 8 A N 1.573 124.369 122.820 -0.041 0.000 2.610 8 A HA 0.758 5.078 4.320 -0.000 0.000 0.286 8 A C 1.520 179.058 177.584 -0.077 0.000 1.306 8 A CA 1.207 53.213 52.037 -0.052 0.000 0.942 8 A CB -0.194 18.776 19.000 -0.050 0.000 1.112 8 A HN 2.093 nan 8.150 nan 0.000 0.527 9 G N -0.431 108.318 108.800 -0.084 0.000 2.486 9 G HA2 0.141 4.101 3.960 -0.000 0.000 0.272 9 G HA3 0.141 4.101 3.960 -0.000 0.000 0.272 9 G C 0.729 175.509 174.900 -0.200 0.000 1.426 9 G CA -0.211 44.811 45.100 -0.129 0.000 1.058 9 G HN 0.285 nan 8.290 nan 0.000 0.531 10 N N -1.074 117.420 118.700 -0.343 0.000 2.166 10 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 10 N C 2.427 177.732 175.510 -0.342 0.000 1.019 10 N CA 1.129 53.799 53.050 -0.632 0.000 0.856 10 N CB -0.316 37.307 38.487 -1.439 0.000 0.993 10 N HN 0.207 nan 8.380 nan 0.000 0.426 11 V N 0.862 120.691 119.914 -0.141 0.000 2.223 11 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 11 V C 2.537 178.647 176.094 0.026 0.000 1.045 11 V CA 2.154 64.469 62.300 0.025 0.000 1.000 11 V CB -1.354 30.496 31.823 0.046 0.000 0.635 11 V HN 0.304 nan 8.190 nan 0.000 0.445 12 G N -0.762 108.039 108.800 0.001 0.000 2.448 12 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 12 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 12 G C 1.693 176.605 174.900 0.020 0.000 1.127 12 G CA 1.112 46.221 45.100 0.015 0.000 0.766 12 G HN 0.625 nan 8.290 nan 0.000 0.552 13 A N 0.643 123.458 122.820 -0.008 0.000 1.841 13 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 13 A C 2.551 180.178 177.584 0.071 0.000 1.195 13 A CA 2.390 54.429 52.037 0.004 0.000 0.611 13 A CB -1.051 17.914 19.000 -0.059 0.000 0.835 13 A HN 0.269 nan 8.150 nan 0.000 0.443 14 T N 0.132 114.732 114.554 0.076 0.000 2.720 14 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 14 T C 1.969 176.770 174.700 0.170 0.000 1.037 14 T CA 1.999 64.200 62.100 0.170 0.000 1.144 14 T CB -0.730 68.252 68.868 0.190 0.000 0.864 14 T HN 0.552 nan 8.240 nan 0.000 0.444 15 T N 2.130 116.751 114.554 0.111 0.000 2.652 15 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 15 T C 2.462 177.208 174.700 0.077 0.000 1.039 15 T CA 1.306 63.456 62.100 0.083 0.000 1.153 15 T CB -0.704 68.200 68.868 0.061 0.000 0.863 15 T HN 0.470 nan 8.240 nan 0.000 0.428 16 A N 1.027 123.901 122.820 0.090 0.000 1.940 16 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 16 A C 2.032 179.691 177.584 0.125 0.000 1.176 16 A CA 1.486 53.577 52.037 0.090 0.000 0.631 16 A CB -0.960 18.096 19.000 0.094 0.000 0.814 16 A HN 0.449 nan 8.150 nan 0.000 0.446 17 F N 0.447 120.396 119.950 -0.001 0.000 2.113 17 F HA -0.100 4.426 4.527 -0.000 0.000 0.297 17 F C 2.313 178.070 175.800 -0.073 0.000 1.103 17 F CA 1.738 59.727 58.000 -0.019 0.000 1.248 17 F CB -0.534 38.481 39.000 0.026 0.000 0.999 17 F HN 0.214 nan 8.300 nan 0.000 0.475 18 R N 0.407 120.829 120.500 -0.131 0.000 2.105 18 R HA -0.178 4.161 4.340 -0.000 0.000 0.239 18 R C 2.288 178.437 176.300 -0.252 0.000 1.135 18 R CA 2.071 58.027 56.100 -0.239 0.000 0.967 18 R CB -0.465 29.794 30.300 -0.068 0.000 0.861 18 R HN 0.419 nan 8.270 nan 0.000 0.442 19 I N 0.144 120.619 120.570 -0.158 0.000 2.252 19 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 19 I C 2.532 178.516 176.117 -0.221 0.000 1.102 19 I CA 1.150 62.367 61.300 -0.138 0.000 1.385 19 I CB -0.397 37.567 38.000 -0.060 0.000 1.064 19 I HN 0.249 nan 8.210 nan 0.000 0.414 20 A N 0.507 123.154 122.820 -0.289 0.000 1.898 20 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 20 A C 2.016 179.080 177.584 -0.868 0.000 1.181 20 A CA 2.225 54.000 52.037 -0.436 0.000 0.620 20 A CB -0.674 18.137 19.000 -0.314 0.000 0.819 20 A HN 0.410 nan 8.150 nan 0.000 0.442 21 D N -0.575 119.239 120.400 -0.977 0.000 2.219 21 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 21 D C 1.656 177.653 176.300 -0.504 0.000 0.970 21 D CA 1.070 54.492 54.000 -0.963 0.000 0.851 21 D CB -0.078 40.172 40.800 -0.918 0.000 0.943 21 D HN 0.433 nan 8.370 nan 0.000 0.488 22 K N 0.023 120.202 120.400 -0.368 0.000 2.444 22 K HA 0.085 4.405 4.320 -0.000 0.000 0.193 22 K C 0.126 176.632 176.600 -0.157 0.000 1.024 22 K CA 0.026 56.187 56.287 -0.211 0.000 1.077 22 K CB 0.334 32.740 32.500 -0.157 0.000 0.833 22 K HN 0.014 nan 8.250 nan 0.000 0.517 23 K N 0.286 120.572 120.400 -0.190 0.000 3.088 23 K HA -0.175 4.145 4.320 -0.000 0.000 0.273 23 K C 0.261 176.822 176.600 -0.064 0.000 1.111 23 K CA 0.283 56.511 56.287 -0.099 0.000 0.803 23 K CB -1.656 30.816 32.500 -0.047 0.000 1.226 23 K HN 0.208 nan 8.250 nan 0.000 0.485 24 L N -0.396 120.779 121.223 -0.079 0.000 2.627 24 L HA 0.231 4.571 4.340 -0.000 0.000 0.232 24 L C 0.695 177.550 176.870 -0.025 0.000 1.150 24 L CA 0.193 55.005 54.840 -0.046 0.000 0.917 24 L CB 0.053 42.082 42.059 -0.050 0.000 1.104 24 L HN 0.393 nan 8.230 nan 0.000 0.445 25 A N -1.145 121.663 122.820 -0.020 0.000 2.610 25 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 25 A C 0.083 177.682 177.584 0.025 0.000 1.086 25 A CA -0.645 51.395 52.037 0.005 0.000 0.677 25 A CB 1.424 20.429 19.000 0.008 0.000 1.278 25 A HN -0.104 nan 8.150 nan 0.000 0.414 26 R N 0.085 120.607 120.500 0.037 0.000 2.121 26 R HA 0.212 4.552 4.340 -0.000 0.000 0.206 26 R C -0.451 175.891 176.300 0.069 0.000 1.094 26 R CA 1.043 57.175 56.100 0.053 0.000 1.055 26 R CB 0.155 30.482 30.300 0.044 0.000 0.964 26 R HN 0.828 nan 8.270 nan 0.000 0.473 27 E N 1.064 121.300 120.200 0.060 0.000 2.218 27 E HA 0.310 4.660 4.350 -0.000 0.000 0.263 27 E C -1.303 175.334 176.600 0.062 0.000 0.879 27 E CA -0.645 55.796 56.400 0.068 0.000 0.762 27 E CB 2.295 32.028 29.700 0.055 0.000 1.166 27 E HN -0.167 nan 8.360 nan 0.000 0.415 28 L N 2.854 124.122 121.223 0.076 0.000 2.342 28 L HA 0.571 4.911 4.340 -0.000 0.000 0.271 28 L C -1.399 175.507 176.870 0.060 0.000 1.008 28 L CA -0.891 53.989 54.840 0.067 0.000 0.818 28 L CB 2.056 44.163 42.059 0.079 0.000 1.296 28 L HN 0.380 nan 8.230 nan 0.000 0.427 29 V N 5.620 125.560 119.914 0.043 0.000 2.569 29 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 29 V C -0.590 175.512 176.094 0.013 0.000 1.044 29 V CA -0.548 61.766 62.300 0.023 0.000 0.874 29 V CB 1.767 33.596 31.823 0.010 0.000 1.002 29 V HN 0.618 nan 8.190 nan 0.000 0.424 30 L N 6.087 127.313 121.223 0.004 0.000 2.264 30 L HA 0.611 4.951 4.340 -0.000 0.000 0.287 30 L C -0.718 176.125 176.870 -0.045 0.000 1.039 30 L CA -0.352 54.483 54.840 -0.008 0.000 0.829 30 L CB 1.155 43.217 42.059 0.005 0.000 1.211 30 L HN 0.588 nan 8.230 nan 0.000 0.427 31 L N 4.660 125.841 121.223 -0.069 0.000 2.334 31 L HA 0.643 4.983 4.340 -0.000 0.000 0.276 31 L C -1.271 175.526 176.870 -0.121 0.000 1.014 31 L CA -0.240 54.520 54.840 -0.133 0.000 0.815 31 L CB 1.832 43.756 42.059 -0.225 0.000 1.268 31 L HN 0.531 nan 8.230 nan 0.000 0.428 32 D N 1.910 122.232 120.400 -0.131 0.000 2.626 32 D HA 0.129 4.769 4.640 -0.000 0.000 0.278 32 D C -0.048 176.193 176.300 -0.098 0.000 1.211 32 D CA -0.419 53.525 54.000 -0.093 0.000 0.903 32 D CB 2.536 43.299 40.800 -0.062 0.000 1.408 32 D HN 0.346 nan 8.370 nan 0.000 0.454 33 V N 0.930 120.810 119.914 -0.057 0.000 2.273 33 V HA 0.023 4.143 4.120 -0.000 0.000 0.242 33 V C 1.061 177.132 176.094 -0.038 0.000 1.035 33 V CA 1.751 64.028 62.300 -0.039 0.000 1.013 33 V CB 0.104 31.922 31.823 -0.009 0.000 0.652 33 V HN 0.471 nan 8.190 nan 0.000 0.452 34 V N 0.263 120.157 119.914 -0.033 0.000 2.963 34 V HA 0.308 4.428 4.120 -0.000 0.000 0.306 34 V C 0.322 176.394 176.094 -0.037 0.000 1.077 34 V CA -0.563 61.718 62.300 -0.030 0.000 1.124 34 V CB 0.692 32.498 31.823 -0.028 0.000 0.987 34 V HN 0.528 nan 8.190 nan 0.000 0.487 35 E N 1.834 122.015 120.200 -0.032 0.000 2.319 35 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 35 E C 0.961 177.542 176.600 -0.032 0.000 1.050 35 E CA 0.759 57.138 56.400 -0.034 0.000 0.878 35 E CB 1.275 30.958 29.700 -0.028 0.000 1.066 35 E HN 1.334 nan 8.360 nan 0.000 0.406 36 G N 4.716 113.496 108.800 -0.034 0.000 3.586 36 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.212 36 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.212 36 G C 1.209 176.089 174.900 -0.033 0.000 1.411 36 G CA 0.240 45.321 45.100 -0.031 0.000 0.898 36 G HN 0.498 nan 8.290 nan 0.000 0.575 37 I N 3.316 123.864 120.570 -0.036 0.000 2.068 37 I HA -0.156 4.014 4.170 -0.000 0.000 0.238 37 I C 0.736 176.830 176.117 -0.039 0.000 1.046 37 I CA 2.706 63.982 61.300 -0.039 0.000 1.306 37 I CB -2.598 35.376 38.000 -0.044 0.000 1.023 37 I HN 0.331 nan 8.210 nan 0.000 0.399 38 P HA -0.157 nan 4.420 nan 0.000 0.220 38 P C 1.424 178.706 177.300 -0.029 0.000 1.148 38 P CA 1.510 64.588 63.100 -0.038 0.000 0.803 38 P CB -0.012 31.657 31.700 -0.050 0.000 0.782 39 Q N -0.404 119.377 119.800 -0.032 0.000 2.269 39 Q HA 0.086 4.426 4.340 -0.000 0.000 0.201 39 Q C 2.457 178.445 176.000 -0.021 0.000 0.946 39 Q CA 1.438 57.224 55.803 -0.028 0.000 0.877 39 Q CB -1.101 27.617 28.738 -0.034 0.000 0.963 39 Q HN 0.255 nan 8.270 nan 0.000 0.472 40 G N 0.972 109.758 108.800 -0.023 0.000 2.404 40 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 40 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 40 G C 1.231 176.120 174.900 -0.017 0.000 1.189 40 G CA 0.374 45.461 45.100 -0.021 0.000 0.789 40 G HN 0.176 nan 8.290 nan 0.000 0.533 41 K N 0.311 120.696 120.400 -0.024 0.000 2.057 41 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 41 K C 2.720 179.320 176.600 -0.001 0.000 1.049 41 K CA 0.980 57.250 56.287 -0.029 0.000 0.931 41 K CB -0.413 32.064 32.500 -0.038 0.000 0.714 41 K HN 0.273 nan 8.250 nan 0.000 0.440 42 G N 1.514 110.325 108.800 0.018 0.000 2.422 42 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 42 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 42 G C 1.430 176.387 174.900 0.095 0.000 1.146 42 G CA 0.325 45.461 45.100 0.060 0.000 0.769 42 G HN 0.138 nan 8.290 nan 0.000 0.547 43 L N 0.101 121.357 121.223 0.055 0.000 2.156 43 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 43 L C 2.517 179.449 176.870 0.104 0.000 1.095 43 L CA 1.377 56.259 54.840 0.071 0.000 0.770 43 L CB -0.258 41.809 42.059 0.014 0.000 0.914 43 L HN 0.193 nan 8.230 nan 0.000 0.439 44 D N 0.267 120.696 120.400 0.049 0.000 2.092 44 D HA -0.255 4.385 4.640 -0.000 0.000 0.193 44 D C 2.267 178.590 176.300 0.038 0.000 0.994 44 D CA 1.749 55.759 54.000 0.016 0.000 0.828 44 D CB -0.036 40.740 40.800 -0.040 0.000 0.963 44 D HN 0.215 nan 8.370 nan 0.000 0.450 45 M N -1.023 118.608 119.600 0.052 0.000 2.108 45 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 45 M C 2.225 178.712 176.300 0.311 0.000 1.066 45 M CA 1.363 56.758 55.300 0.159 0.000 1.107 45 M CB -0.488 32.255 32.600 0.238 0.000 1.356 45 M HN 0.137 nan 8.290 nan 0.000 0.406 46 Y N 1.292 121.685 120.300 0.155 0.000 2.224 46 Y HA -0.196 4.354 4.550 -0.000 0.000 0.289 46 Y C 1.861 177.766 175.900 0.008 0.000 1.146 46 Y CA 1.639 59.806 58.100 0.111 0.000 1.182 46 Y CB -0.022 38.477 38.460 0.067 0.000 0.983 46 Y HN 0.246 nan 8.280 nan 0.000 0.524 47 E N -1.041 119.272 120.200 0.189 0.000 2.516 47 E HA -0.098 4.252 4.350 -0.000 0.000 0.199 47 E C 1.534 178.110 176.600 -0.041 0.000 1.069 47 E CA 1.030 57.480 56.400 0.084 0.000 0.876 47 E CB -0.014 29.744 29.700 0.097 0.000 0.843 47 E HN 0.442 nan 8.360 nan 0.000 0.530 48 T N -0.131 114.397 114.554 -0.043 0.000 3.054 48 T HA -0.011 4.339 4.350 -0.000 0.000 0.259 48 T C 1.915 176.422 174.700 -0.322 0.000 1.092 48 T CA 0.647 62.740 62.100 -0.011 0.000 1.121 48 T CB 0.011 69.051 68.868 0.288 0.000 0.912 48 T HN 0.354 nan 8.240 nan 0.000 0.489 49 G N 2.746 111.058 108.800 -0.814 0.000 2.503 49 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.221 49 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.221 49 G C -0.776 173.713 174.900 -0.686 0.000 1.131 49 G CA 0.620 44.877 45.100 -1.403 0.000 0.756 49 G HN 0.420 nan 8.290 nan 0.000 0.572 50 P HA 0.068 nan 4.420 nan 0.000 0.223 50 P C 1.707 178.923 177.300 -0.140 0.000 1.151 50 P CA 0.417 63.389 63.100 -0.212 0.000 0.787 50 P CB 0.266 31.886 31.700 -0.132 0.000 0.788 51 V N -1.016 118.823 119.914 -0.125 0.000 2.788 51 V HA 0.106 4.226 4.120 -0.000 0.000 0.241 51 V C 2.340 178.445 176.094 0.019 0.000 1.083 51 V CA 1.839 64.119 62.300 -0.033 0.000 1.103 51 V CB -1.231 30.595 31.823 0.005 0.000 0.800 51 V HN 0.072 nan 8.190 nan 0.000 0.476 52 G N -0.577 108.256 108.800 0.056 0.000 2.598 52 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.215 52 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.215 52 G C 0.922 175.971 174.900 0.248 0.000 1.131 52 G CA 0.279 45.539 45.100 0.267 0.000 0.785 52 G HN 0.460 nan 8.290 nan 0.000 0.539 53 L N -1.140 120.108 121.223 0.042 0.000 3.730 53 L HA -0.157 4.183 4.340 -0.000 0.000 0.410 53 L C 0.094 177.031 176.870 0.111 0.000 1.234 53 L CA -0.061 54.795 54.840 0.026 0.000 0.911 53 L CB -2.247 39.842 42.059 0.049 0.000 1.942 53 L HN 0.448 nan 8.230 nan 0.000 0.860 54 F N -3.193 116.722 119.950 -0.059 0.000 2.613 54 F HA 0.801 5.328 4.527 -0.000 0.000 0.342 54 F C 0.657 176.405 175.800 -0.087 0.000 1.066 54 F CA -1.043 56.918 58.000 -0.066 0.000 1.002 54 F CB 0.702 39.660 39.000 -0.070 0.000 1.319 54 F HN -0.228 nan 8.300 nan 0.000 0.495 55 D N -0.088 120.400 120.400 0.147 0.000 2.760 55 D HA 0.121 4.761 4.640 -0.000 0.000 0.314 55 D C -0.586 175.782 176.300 0.112 0.000 1.464 55 D CA 0.019 54.032 54.000 0.021 0.000 0.797 55 D CB 0.728 41.539 40.800 0.018 0.000 1.149 55 D HN 0.505 nan 8.370 nan 0.000 0.455 56 T N 1.316 116.018 114.554 0.246 0.000 2.870 56 T HA 0.089 4.439 4.350 -0.000 0.000 0.300 56 T C 0.682 175.527 174.700 0.241 0.000 0.989 56 T CA -0.194 62.034 62.100 0.214 0.000 1.139 56 T CB 1.351 70.341 68.868 0.203 0.000 0.920 56 T HN -0.259 nan 8.240 nan 0.000 0.537 57 K N 4.115 124.646 120.400 0.219 0.000 2.315 57 K HA 0.317 4.637 4.320 -0.000 0.000 0.291 57 K C -0.001 176.742 176.600 0.239 0.000 1.074 57 K CA 0.033 56.481 56.287 0.269 0.000 0.936 57 K CB 0.158 32.754 32.500 0.161 0.000 1.049 57 K HN 0.566 nan 8.250 nan 0.000 0.471 58 I N 1.818 122.594 120.570 0.343 0.000 2.607 58 I HA 0.369 4.539 4.170 -0.000 0.000 0.305 58 I C 0.426 176.622 176.117 0.131 0.000 0.995 58 I CA -0.761 60.681 61.300 0.237 0.000 1.148 58 I CB 2.037 40.219 38.000 0.304 0.000 1.323 58 I HN 0.504 nan 8.210 nan 0.000 0.461 59 T N 0.573 115.171 114.554 0.073 0.000 3.097 59 T HA 0.561 4.910 4.350 -0.000 0.000 0.332 59 T C -0.502 174.201 174.700 0.006 0.000 1.269 59 T CA -0.822 61.287 62.100 0.015 0.000 1.076 59 T CB 1.375 70.237 68.868 -0.010 0.000 1.209 59 T HN 0.843 nan 8.240 nan 0.000 0.474 60 G N 0.378 109.171 108.800 -0.012 0.000 2.451 60 G HA2 0.659 4.619 3.960 -0.000 0.000 0.303 60 G HA3 0.659 4.619 3.960 -0.000 0.000 0.303 60 G C -0.711 174.162 174.900 -0.045 0.000 1.166 60 G CA -0.539 44.547 45.100 -0.024 0.000 0.884 60 G HN 1.048 nan 8.290 nan 0.000 0.514 61 S N -0.953 114.709 115.700 -0.064 0.000 2.611 61 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 61 S C -0.157 174.373 174.600 -0.117 0.000 1.156 61 S CA -0.757 57.392 58.200 -0.085 0.000 0.817 61 S CB 1.123 64.268 63.200 -0.093 0.000 1.122 61 S HN 0.643 nan 8.310 nan 0.000 0.466 62 N N 0.119 118.744 118.700 -0.125 0.000 2.082 62 N HA 0.188 4.928 4.740 -0.000 0.000 0.228 62 N C -1.694 173.718 175.510 -0.163 0.000 1.341 62 N CA -0.134 52.830 53.050 -0.143 0.000 0.873 62 N CB 0.795 39.230 38.487 -0.086 0.000 1.137 62 N HN 0.510 nan 8.380 nan 0.000 0.505 63 D N -0.360 119.949 120.400 -0.152 0.000 2.440 63 D HA 0.128 4.768 4.640 -0.000 0.000 0.239 63 D C 0.237 176.451 176.300 -0.144 0.000 1.084 63 D CA -0.602 53.333 54.000 -0.109 0.000 0.843 63 D CB 0.580 41.342 40.800 -0.063 0.000 1.097 63 D HN 0.036 nan 8.370 nan 0.000 0.531 64 Y N 2.558 122.797 120.300 -0.101 0.000 2.639 64 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 64 Y C 2.256 177.844 175.900 -0.520 0.000 1.155 64 Y CA 0.947 58.938 58.100 -0.182 0.000 1.379 64 Y CB -0.016 38.434 38.460 -0.016 0.000 0.967 64 Y HN 0.616 nan 8.280 nan 0.000 0.569 65 A N -0.329 122.302 122.820 -0.315 0.000 2.066 65 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 65 A C 1.767 179.235 177.584 -0.193 0.000 1.157 65 A CA 1.558 53.373 52.037 -0.371 0.000 0.670 65 A CB -0.286 18.614 19.000 -0.167 0.000 0.804 65 A HN 0.322 nan 8.150 nan 0.000 0.453 66 D N -0.308 120.016 120.400 -0.126 0.000 2.347 66 D HA -0.066 4.573 4.640 -0.000 0.000 0.215 66 D C 1.578 177.858 176.300 -0.033 0.000 0.976 66 D CA 1.587 55.547 54.000 -0.066 0.000 0.884 66 D CB -0.216 40.548 40.800 -0.060 0.000 0.915 66 D HN 0.610 nan 8.370 nan 0.000 0.526 67 T N -1.901 112.638 114.554 -0.025 0.000 3.235 67 T HA 0.427 4.777 4.350 -0.000 0.000 0.251 67 T C 0.709 175.457 174.700 0.080 0.000 1.060 67 T CA -0.530 61.598 62.100 0.047 0.000 0.949 67 T CB 0.001 68.940 68.868 0.118 0.000 1.020 67 T HN 0.008 nan 8.240 nan 0.000 0.564 68 A N 1.918 124.770 122.820 0.055 0.000 2.477 68 A HA 0.402 4.722 4.320 -0.000 0.000 0.246 68 A C 0.664 178.292 177.584 0.073 0.000 1.078 68 A CA -0.141 51.953 52.037 0.094 0.000 0.770 68 A CB -0.333 18.712 19.000 0.074 0.000 1.011 68 A HN 0.596 nan 8.150 nan 0.000 0.494 69 D N 1.163 121.610 120.400 0.078 0.000 2.716 69 D HA -0.117 4.523 4.640 -0.000 0.000 0.239 69 D C -0.263 176.069 176.300 0.054 0.000 1.125 69 D CA 1.395 55.430 54.000 0.058 0.000 0.681 69 D CB -1.723 39.105 40.800 0.047 0.000 1.070 69 D HN 0.435 nan 8.370 nan 0.000 0.432 70 S N 0.207 115.944 115.700 0.062 0.000 2.562 70 S HA 0.166 4.636 4.470 -0.000 0.000 0.275 70 S C 1.215 175.846 174.600 0.052 0.000 1.281 70 S CA -0.720 57.514 58.200 0.057 0.000 1.045 70 S CB 1.770 65.010 63.200 0.067 0.000 0.962 70 S HN 0.078 nan 8.310 nan 0.000 0.503 71 D N 1.269 121.696 120.400 0.046 0.000 2.197 71 D HA 0.157 4.797 4.640 -0.000 0.000 0.212 71 D C 0.356 176.684 176.300 0.045 0.000 0.963 71 D CA 1.020 55.045 54.000 0.042 0.000 0.864 71 D CB 0.243 41.065 40.800 0.036 0.000 1.009 71 D HN 0.407 nan 8.370 nan 0.000 0.479 72 I N 1.102 121.700 120.570 0.045 0.000 2.474 72 I HA 0.287 4.456 4.170 -0.000 0.000 0.294 72 I C -0.756 175.392 176.117 0.053 0.000 1.005 72 I CA -0.828 60.501 61.300 0.047 0.000 1.113 72 I CB 2.889 40.913 38.000 0.040 0.000 1.289 72 I HN -0.373 nan 8.210 nan 0.000 0.436 73 V N 6.873 126.822 119.914 0.058 0.000 2.483 73 V HA 0.455 4.574 4.120 -0.000 0.000 0.297 73 V C -0.244 175.887 176.094 0.060 0.000 1.027 73 V CA -0.404 61.934 62.300 0.064 0.000 0.855 73 V CB 2.062 33.930 31.823 0.076 0.000 0.995 73 V HN 0.482 nan 8.190 nan 0.000 0.424 74 I N 5.843 126.446 120.570 0.056 0.000 2.359 74 I HA 0.447 4.617 4.170 -0.000 0.000 0.284 74 I C -0.314 175.834 176.117 0.050 0.000 1.018 74 I CA -0.293 61.037 61.300 0.051 0.000 1.173 74 I CB 1.384 39.410 38.000 0.044 0.000 1.326 74 I HN 0.430 nan 8.210 nan 0.000 0.462 75 I N 5.980 126.580 120.570 0.050 0.000 2.308 75 I HA 0.086 4.256 4.170 -0.000 0.000 0.293 75 I C 1.072 177.211 176.117 0.036 0.000 1.078 75 I CA 0.200 61.529 61.300 0.047 0.000 1.292 75 I CB 1.018 39.045 38.000 0.045 0.000 1.423 75 I HN 0.638 nan 8.210 nan 0.000 0.493 76 T N 2.680 117.253 114.554 0.032 0.000 3.252 76 T HA 0.424 4.773 4.350 -0.000 0.000 0.286 76 T C 0.317 175.028 174.700 0.018 0.000 1.013 76 T CA -0.450 61.665 62.100 0.026 0.000 0.914 76 T CB 0.140 69.023 68.868 0.025 0.000 1.131 76 T HN 0.501 nan 8.240 nan 0.000 0.529 77 A N 0.400 123.232 122.820 0.020 0.000 2.366 77 A HA 0.809 5.129 4.320 -0.000 0.000 0.272 77 A C 0.694 178.285 177.584 0.012 0.000 1.135 77 A CA -0.093 51.953 52.037 0.015 0.000 0.804 77 A CB -0.033 18.982 19.000 0.023 0.000 1.064 77 A HN 1.213 nan 8.150 nan 0.000 0.499 78 G N 1.322 110.127 108.800 0.008 0.000 2.433 78 G HA2 0.527 4.487 3.960 -0.000 0.000 0.306 78 G HA3 0.527 4.487 3.960 -0.000 0.000 0.306 78 G C -0.808 174.095 174.900 0.006 0.000 1.627 78 G CA -0.288 44.817 45.100 0.008 0.000 0.893 78 G HN 1.392 nan 8.290 nan 0.000 0.648 90 L N 0.349 121.576 121.223 0.006 0.000 2.089 90 L HA -0.104 4.236 4.340 -0.000 0.000 0.213 90 L C 1.733 178.605 176.870 0.004 0.000 1.079 90 L CA 1.721 56.564 54.840 0.006 0.000 0.758 90 L CB -0.613 41.451 42.059 0.009 0.000 0.891 90 L HN 0.324 nan 8.230 nan 0.000 0.433 91 L N -0.585 120.641 121.223 0.005 0.000 1.989 91 L HA -0.201 4.138 4.340 -0.000 0.000 0.211 91 L C 2.365 179.235 176.870 -0.000 0.000 1.071 91 L CA 2.255 57.097 54.840 0.004 0.000 0.749 91 L CB -0.452 41.611 42.059 0.007 0.000 0.890 91 L HN 0.355 nan 8.230 nan 0.000 0.431 92 M N -1.441 118.159 119.600 -0.000 0.000 2.492 92 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 92 M C 1.967 178.264 176.300 -0.005 0.000 1.090 92 M CA 0.932 56.230 55.300 -0.004 0.000 1.110 92 M CB -0.187 32.412 32.600 -0.002 0.000 1.407 92 M HN 0.193 nan 8.290 nan 0.000 0.470 93 K N 0.856 121.255 120.400 -0.002 0.000 1.967 93 K HA -0.063 4.257 4.320 -0.000 0.000 0.212 93 K C 1.623 178.222 176.600 -0.003 0.000 1.044 93 K CA 1.357 57.643 56.287 -0.001 0.000 0.942 93 K CB -0.288 32.212 32.500 0.001 0.000 0.726 93 K HN 0.401 nan 8.250 nan 0.000 0.440 94 N N 0.725 119.424 118.700 -0.002 0.000 2.309 94 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 94 N C 1.839 177.344 175.510 -0.010 0.000 1.018 94 N CA 0.784 53.832 53.050 -0.003 0.000 0.876 94 N CB -0.045 38.441 38.487 -0.002 0.000 0.972 94 N HN 0.196 nan 8.380 nan 0.000 0.434 95 A N 1.331 124.143 122.820 -0.014 0.000 1.908 95 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 95 A C 2.390 179.959 177.584 -0.026 0.000 1.181 95 A CA 1.917 53.940 52.037 -0.024 0.000 0.627 95 A CB -1.134 17.852 19.000 -0.023 0.000 0.818 95 A HN 0.367 nan 8.150 nan 0.000 0.445 96 G N -0.256 108.533 108.800 -0.019 0.000 2.422 96 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 96 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 96 G C 1.484 176.376 174.900 -0.013 0.000 1.140 96 G CA 0.985 46.074 45.100 -0.019 0.000 0.775 96 G HN 0.495 nan 8.290 nan 0.000 0.545 97 I N 0.631 121.198 120.570 -0.006 0.000 2.315 97 I HA -0.140 4.029 4.170 -0.000 0.000 0.248 97 I C 2.672 178.792 176.117 0.005 0.000 1.117 97 I CA 0.512 61.815 61.300 0.005 0.000 1.404 97 I CB -0.243 37.762 38.000 0.008 0.000 1.071 97 I HN 0.020 nan 8.210 nan 0.000 0.419 98 V N 0.962 120.872 119.914 -0.006 0.000 2.358 98 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 98 V C 2.518 178.599 176.094 -0.022 0.000 1.047 98 V CA 1.787 64.081 62.300 -0.010 0.000 1.035 98 V CB -0.781 31.028 31.823 -0.023 0.000 0.658 98 V HN 0.402 nan 8.190 nan 0.000 0.452 99 K N 0.288 120.667 120.400 -0.035 0.000 2.009 99 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 99 K C 2.332 178.902 176.600 -0.049 0.000 1.049 99 K CA 2.008 58.264 56.287 -0.051 0.000 0.929 99 K CB -0.224 32.243 32.500 -0.055 0.000 0.714 99 K HN 0.547 nan 8.250 nan 0.000 0.440 100 E N 0.305 120.485 120.200 -0.033 0.000 2.038 100 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 100 E C 1.938 178.512 176.600 -0.043 0.000 1.000 100 E CA 1.867 58.248 56.400 -0.033 0.000 0.803 100 E CB -0.033 29.666 29.700 -0.001 0.000 0.750 100 E HN 0.177 nan 8.360 nan 0.000 0.448 101 V N 1.129 121.048 119.914 0.008 0.000 2.282 101 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 101 V C 2.526 178.603 176.094 -0.028 0.000 1.057 101 V CA 2.343 64.673 62.300 0.051 0.000 1.032 101 V CB -1.087 30.791 31.823 0.092 0.000 0.645 101 V HN 0.375 nan 8.190 nan 0.000 0.447 102 T N -0.278 114.256 114.554 -0.034 0.000 2.622 102 T HA -0.223 4.126 4.350 -0.000 0.000 0.266 102 T C 1.678 176.317 174.700 -0.101 0.000 1.047 102 T CA 1.785 63.856 62.100 -0.049 0.000 1.159 102 T CB -0.520 68.321 68.868 -0.045 0.000 0.863 102 T HN 0.523 nan 8.240 nan 0.000 0.422 103 D N 1.374 121.701 120.400 -0.121 0.000 2.126 103 D HA -0.149 4.490 4.640 -0.000 0.000 0.190 103 D C 2.152 178.321 176.300 -0.219 0.000 1.001 103 D CA 1.057 54.967 54.000 -0.149 0.000 0.841 103 D CB -0.555 40.166 40.800 -0.133 0.000 0.949 103 D HN 0.329 nan 8.370 nan 0.000 0.446 104 N N 0.763 119.268 118.700 -0.325 0.000 2.036 104 N HA -0.136 4.604 4.740 -0.000 0.000 0.195 104 N C 2.285 177.565 175.510 -0.384 0.000 1.037 104 N CA 0.699 53.427 53.050 -0.536 0.000 0.855 104 N CB -0.384 37.350 38.487 -1.255 0.000 1.033 104 N HN 0.276 nan 8.380 nan 0.000 0.423 105 I N 1.332 121.752 120.570 -0.249 0.000 2.118 105 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 105 I C 2.165 178.263 176.117 -0.030 0.000 1.070 105 I CA 1.119 62.416 61.300 -0.004 0.000 1.327 105 I CB -0.230 37.800 38.000 0.051 0.000 1.034 105 I HN 0.105 nan 8.210 nan 0.000 0.405 106 M N 0.356 119.906 119.600 -0.085 0.000 2.435 106 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 106 M C 1.944 178.151 176.300 -0.155 0.000 1.065 106 M CA 1.541 56.789 55.300 -0.087 0.000 1.076 106 M CB -1.118 31.430 32.600 -0.086 0.000 1.403 106 M HN 0.232 nan 8.290 nan 0.000 0.454 107 K N -1.033 119.194 120.400 -0.287 0.000 2.365 107 K HA -0.085 4.235 4.320 -0.000 0.000 0.199 107 K C 1.100 177.311 176.600 -0.649 0.000 1.045 107 K CA 0.728 56.720 56.287 -0.492 0.000 0.962 107 K CB 0.097 32.179 32.500 -0.695 0.000 0.759 107 K HN 0.496 nan 8.250 nan 0.000 0.469 108 H N -1.607 117.453 119.070 -0.016 0.000 3.360 108 H HA 0.263 4.819 4.556 -0.000 0.000 0.262 108 H C -0.164 175.177 175.328 0.022 0.000 1.149 108 H CA -0.060 55.997 56.048 0.015 0.000 1.181 108 H CB 1.186 30.976 29.762 0.047 0.000 1.564 108 H HN -0.129 nan 8.280 nan 0.000 0.565 109 S N 1.485 117.238 115.700 0.088 0.000 2.561 109 S HA 0.239 4.709 4.470 -0.000 0.000 0.303 109 S C 0.938 175.557 174.600 0.031 0.000 1.110 109 S CA -0.794 57.447 58.200 0.069 0.000 1.034 109 S CB 2.870 66.117 63.200 0.078 0.000 1.010 109 S HN 0.049 nan 8.310 nan 0.000 0.482 110 K N 2.509 122.927 120.400 0.030 0.000 1.965 110 K HA -0.018 4.302 4.320 -0.000 0.000 0.214 110 K C 0.489 177.102 176.600 0.021 0.000 1.046 110 K CA 1.081 57.378 56.287 0.018 0.000 0.944 110 K CB -0.240 32.273 32.500 0.020 0.000 0.726 110 K HN 0.591 nan 8.250 nan 0.000 0.441 111 N N 1.306 120.024 118.700 0.030 0.000 2.664 111 N HA 0.215 4.955 4.740 -0.000 0.000 0.257 111 N C -2.785 172.751 175.510 0.043 0.000 1.108 111 N CA -0.916 52.155 53.050 0.035 0.000 0.822 111 N CB 1.808 40.315 38.487 0.034 0.000 1.199 111 N HN 0.009 nan 8.380 nan 0.000 0.529 112 P HA 0.501 nan 4.420 nan 0.000 0.292 112 P C -0.850 176.487 177.300 0.062 0.000 1.313 112 P CA -0.698 62.435 63.100 0.054 0.000 0.965 112 P CB 2.243 33.977 31.700 0.057 0.000 1.303 113 I N 1.443 122.049 120.570 0.061 0.000 2.440 113 I HA 0.368 4.537 4.170 -0.000 0.000 0.294 113 I C 0.654 176.813 176.117 0.071 0.000 0.995 113 I CA -0.619 60.722 61.300 0.067 0.000 1.306 113 I CB 0.607 38.642 38.000 0.058 0.000 1.407 113 I HN 0.260 nan 8.210 nan 0.000 0.501 114 I N 6.532 127.152 120.570 0.083 0.000 2.465 114 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 114 I C -0.433 175.732 176.117 0.080 0.000 1.014 114 I CA -0.537 60.812 61.300 0.081 0.000 1.093 114 I CB 2.311 40.364 38.000 0.090 0.000 1.267 114 I HN 0.300 nan 8.210 nan 0.000 0.431 115 I N 6.494 127.104 120.570 0.066 0.000 2.382 115 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 115 I C -0.401 175.746 176.117 0.050 0.000 1.007 115 I CA -0.798 60.537 61.300 0.060 0.000 1.142 115 I CB 1.735 39.767 38.000 0.052 0.000 1.289 115 I HN 0.168 nan 8.210 nan 0.000 0.453 116 V N 7.138 127.079 119.914 0.044 0.000 2.546 116 V HA 0.295 4.415 4.120 -0.000 0.000 0.284 116 V C 0.246 176.353 176.094 0.022 0.000 1.050 116 V CA -0.406 61.909 62.300 0.026 0.000 0.981 116 V CB 1.748 33.573 31.823 0.003 0.000 0.990 116 V HN 0.496 nan 8.190 nan 0.000 0.474 117 V N 3.573 123.499 119.914 0.020 0.000 2.546 117 V HA 0.410 4.530 4.120 -0.000 0.000 0.260 117 V C -0.058 176.047 176.094 0.018 0.000 0.933 117 V CA -0.072 62.242 62.300 0.024 0.000 0.994 117 V CB 0.240 32.085 31.823 0.037 0.000 1.160 117 V HN 0.888 nan 8.190 nan 0.000 0.523 118 S N 1.273 116.975 115.700 0.003 0.000 3.081 118 S HA 0.687 5.157 4.470 -0.000 0.000 0.316 118 S C -0.915 173.682 174.600 -0.006 0.000 1.089 118 S CA -0.869 57.333 58.200 0.002 0.000 0.897 118 S CB 1.794 64.991 63.200 -0.004 0.000 1.358 118 S HN 0.581 nan 8.310 nan 0.000 0.678 119 N N 1.873 120.570 118.700 -0.004 0.000 2.455 119 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 119 N C -3.193 172.314 175.510 -0.005 0.000 1.080 119 N CA -0.869 52.178 53.050 -0.006 0.000 0.932 119 N CB 1.952 40.449 38.487 0.018 0.000 1.610 119 N HN 0.310 nan 8.380 nan 0.000 0.493 120 P HA 0.087 nan 4.420 nan 0.000 0.276 120 P C 0.993 178.264 177.300 -0.047 0.000 1.230 120 P CA -0.513 62.571 63.100 -0.027 0.000 0.776 120 P CB 1.494 33.186 31.700 -0.014 0.000 0.888 121 L N 3.388 124.559 121.223 -0.086 0.000 1.994 121 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 121 L C 1.814 178.645 176.870 -0.066 0.000 1.071 121 L CA 2.099 56.887 54.840 -0.088 0.000 0.745 121 L CB -0.951 41.020 42.059 -0.146 0.000 0.892 121 L HN 0.256 nan 8.230 nan 0.000 0.431 122 D N -0.143 120.226 120.400 -0.051 0.000 2.104 122 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 122 D C 2.319 178.601 176.300 -0.030 0.000 0.994 122 D CA 2.174 56.174 54.000 -0.001 0.000 0.830 122 D CB -0.198 40.620 40.800 0.030 0.000 0.959 122 D HN 0.471 nan 8.370 nan 0.000 0.452 123 I N 0.600 121.163 120.570 -0.011 0.000 2.315 123 I HA -0.227 3.942 4.170 -0.000 0.000 0.248 123 I C 2.344 178.440 176.117 -0.035 0.000 1.117 123 I CA 0.623 61.933 61.300 0.016 0.000 1.404 123 I CB -0.130 37.888 38.000 0.028 0.000 1.071 123 I HN -0.036 nan 8.210 nan 0.000 0.419 124 M N 0.083 119.646 119.600 -0.060 0.000 2.159 124 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 124 M C 2.383 178.608 176.300 -0.124 0.000 1.063 124 M CA 1.797 57.053 55.300 -0.074 0.000 1.110 124 M CB -1.659 30.912 32.600 -0.049 0.000 1.374 124 M HN 0.206 nan 8.290 nan 0.000 0.411 125 T N -1.148 113.292 114.554 -0.191 0.000 2.867 125 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 125 T C 1.733 176.081 174.700 -0.587 0.000 1.057 125 T CA 1.557 63.477 62.100 -0.300 0.000 1.136 125 T CB -0.406 68.299 68.868 -0.271 0.000 0.874 125 T HN 0.385 nan 8.240 nan 0.000 0.466 126 H N 1.569 120.133 119.070 -0.844 0.000 2.299 126 H HA 0.024 4.580 4.556 -0.000 0.000 0.302 126 H C 2.080 177.318 175.328 -0.150 0.000 1.078 126 H CA 1.239 56.855 56.048 -0.720 0.000 1.323 126 H CB -0.794 28.767 29.762 -0.335 0.000 1.381 126 H HN 0.124 nan 8.280 nan 0.000 0.498 127 V N 1.021 120.786 119.914 -0.248 0.000 2.392 127 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 127 V C 2.803 178.812 176.094 -0.141 0.000 1.059 127 V CA 1.790 63.948 62.300 -0.237 0.000 1.051 127 V CB -1.422 30.314 31.823 -0.145 0.000 0.658 127 V HN 0.665 nan 8.190 nan 0.000 0.455 128 A N -1.000 121.767 122.820 -0.088 0.000 1.929 128 A HA -0.228 4.091 4.320 -0.000 0.000 0.216 128 A C 1.911 179.518 177.584 0.039 0.000 1.176 128 A CA 1.591 53.611 52.037 -0.028 0.000 0.628 128 A CB -0.732 18.262 19.000 -0.009 0.000 0.816 128 A HN 0.731 nan 8.150 nan 0.000 0.444 129 W N 0.297 121.536 121.300 -0.101 0.000 2.378 129 W HA -0.150 4.510 4.660 -0.000 0.000 0.313 129 W C 2.155 178.685 176.519 0.019 0.000 1.197 129 W CA 2.017 59.375 57.345 0.022 0.000 1.304 129 W CB -0.759 28.809 29.460 0.180 0.000 1.148 129 W HN 0.154 nan 8.180 nan 0.000 0.494 130 V N 2.686 122.437 119.914 -0.270 0.000 2.255 130 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 130 V C 2.539 178.417 176.094 -0.359 0.000 1.051 130 V CA 2.531 64.524 62.300 -0.511 0.000 1.018 130 V CB -0.589 31.037 31.823 -0.329 0.000 0.641 130 V HN 0.186 nan 8.190 nan 0.000 0.445 131 R N 0.209 120.576 120.500 -0.223 0.000 2.193 131 R HA -0.061 4.278 4.340 -0.000 0.000 0.229 131 R C 2.589 178.798 176.300 -0.151 0.000 1.110 131 R CA 1.441 57.442 56.100 -0.165 0.000 0.988 131 R CB -1.536 28.691 30.300 -0.121 0.000 0.871 131 R HN 0.662 nan 8.270 nan 0.000 0.458 132 S N -0.027 115.583 115.700 -0.149 0.000 2.356 132 S HA -0.081 4.389 4.470 -0.000 0.000 0.223 132 S C 1.442 175.963 174.600 -0.133 0.000 1.032 132 S CA 1.772 59.914 58.200 -0.097 0.000 1.005 132 S CB -0.326 62.865 63.200 -0.014 0.000 0.867 132 S HN 0.602 nan 8.310 nan 0.000 0.449 133 G N 0.432 109.085 108.800 -0.244 0.000 2.160 133 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.251 133 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.251 133 G C -0.048 174.776 174.900 -0.125 0.000 1.008 133 G CA 0.685 45.653 45.100 -0.220 0.000 0.724 133 G HN 0.550 nan 8.290 nan 0.000 0.514 134 L N -0.257 120.920 121.223 -0.075 0.000 2.331 134 L HA 0.571 4.910 4.340 -0.000 0.000 0.268 134 L C -1.901 175.105 176.870 0.227 0.000 1.015 134 L CA -2.651 52.232 54.840 0.072 0.000 0.807 134 L CB 1.387 43.517 42.059 0.117 0.000 1.293 134 L HN -0.158 nan 8.230 nan 0.000 0.451 135 P HA 0.049 nan 4.420 nan 0.000 0.271 135 P C -0.215 177.316 177.300 0.385 0.000 1.226 135 P CA -0.354 62.918 63.100 0.286 0.000 0.765 135 P CB 0.455 32.249 31.700 0.156 0.000 0.835 136 K N 2.421 123.095 120.400 0.457 0.000 2.304 136 K HA -0.260 4.060 4.320 -0.000 0.000 0.204 136 K C 0.764 177.368 176.600 0.007 0.000 1.044 136 K CA 1.775 58.071 56.287 0.015 0.000 0.932 136 K CB -0.377 31.838 32.500 -0.475 0.000 0.735 136 K HN 0.222 nan 8.250 nan 0.000 0.468 137 E N 0.652 120.884 120.200 0.055 0.000 2.409 137 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 137 E C 1.011 177.654 176.600 0.072 0.000 1.024 137 E CA 0.818 57.240 56.400 0.037 0.000 0.861 137 E CB 0.134 29.855 29.700 0.036 0.000 0.788 137 E HN 0.398 nan 8.360 nan 0.000 0.521 138 R N -0.425 120.148 120.500 0.121 0.000 2.472 138 R HA 0.254 4.594 4.340 -0.000 0.000 0.279 138 R C -0.647 175.741 176.300 0.147 0.000 0.953 138 R CA -0.056 56.116 56.100 0.120 0.000 1.088 138 R CB 1.295 31.664 30.300 0.114 0.000 1.197 138 R HN -0.102 nan 8.270 nan 0.000 0.536 139 V N 3.356 123.382 119.914 0.186 0.000 2.407 139 V HA 0.486 4.606 4.120 -0.000 0.000 0.291 139 V C -0.297 175.919 176.094 0.203 0.000 1.018 139 V CA -0.802 61.628 62.300 0.217 0.000 0.842 139 V CB 1.686 33.721 31.823 0.354 0.000 0.996 139 V HN 0.169 nan 8.190 nan 0.000 0.426 140 I N 1.725 122.387 120.570 0.153 0.000 2.994 140 I HA 1.015 5.185 4.170 -0.000 0.000 0.306 140 I C -0.032 176.148 176.117 0.104 0.000 1.195 140 I CA -0.841 60.543 61.300 0.140 0.000 1.001 140 I CB 2.633 40.690 38.000 0.095 0.000 1.244 140 I HN 0.606 nan 8.210 nan 0.000 0.437 141 G N 4.331 113.191 108.800 0.100 0.000 2.452 141 G HA2 0.585 4.545 3.960 -0.000 0.000 0.324 141 G HA3 0.585 4.545 3.960 -0.000 0.000 0.324 141 G C -0.944 173.984 174.900 0.047 0.000 1.214 141 G CA -0.690 44.445 45.100 0.058 0.000 0.947 141 G HN 0.559 nan 8.290 nan 0.000 0.478 142 M N 2.216 121.839 119.600 0.038 0.000 2.264 142 M HA 0.636 5.116 4.480 -0.000 0.000 0.352 142 M C 0.303 176.632 176.300 0.047 0.000 1.173 142 M CA -0.362 54.965 55.300 0.046 0.000 1.075 142 M CB 1.276 33.906 32.600 0.051 0.000 1.621 142 M HN 0.830 nan 8.290 nan 0.000 0.457 143 A N 3.832 126.697 122.820 0.075 0.000 1.544 143 A HA 0.241 4.561 4.320 -0.000 0.000 0.206 143 A C 1.306 179.005 177.584 0.192 0.000 1.895 143 A CA 0.549 52.680 52.037 0.156 0.000 1.585 143 A CB -1.204 17.778 19.000 -0.030 0.000 1.485 143 A HN 0.781 nan 8.150 nan 0.000 0.342 144 G N 0.544 109.409 108.800 0.108 0.000 2.491 144 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 144 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 144 G C 1.470 176.414 174.900 0.072 0.000 1.180 144 G CA 2.013 47.166 45.100 0.089 0.000 0.774 144 G HN 0.693 nan 8.290 nan 0.000 0.562 145 V N 0.696 120.643 119.914 0.056 0.000 2.453 145 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 145 V C 2.677 178.789 176.094 0.030 0.000 1.068 145 V CA 1.738 64.060 62.300 0.036 0.000 1.070 145 V CB -0.442 31.398 31.823 0.029 0.000 0.664 145 V HN 0.363 nan 8.190 nan 0.000 0.461 146 L N 0.128 121.380 121.223 0.048 0.000 2.023 146 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 146 L C 2.154 179.010 176.870 -0.023 0.000 1.073 146 L CA 1.996 56.847 54.840 0.019 0.000 0.745 146 L CB -0.906 41.181 42.059 0.047 0.000 0.900 146 L HN 0.267 nan 8.230 nan 0.000 0.435 147 D N -0.035 120.362 120.400 -0.006 0.000 2.182 147 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 147 D C 2.072 178.380 176.300 0.013 0.000 0.986 147 D CA 1.451 55.427 54.000 -0.040 0.000 0.847 147 D CB 0.056 40.856 40.800 0.000 0.000 0.942 147 D HN 0.535 nan 8.370 nan 0.000 0.467 148 A N 1.173 124.022 122.820 0.048 0.000 1.897 148 A HA 0.033 4.352 4.320 -0.000 0.000 0.215 148 A C 2.353 179.950 177.584 0.021 0.000 1.181 148 A CA 1.755 53.836 52.037 0.074 0.000 0.620 148 A CB -0.526 18.501 19.000 0.045 0.000 0.821 148 A HN 0.221 nan 8.150 nan 0.000 0.443 149 A N -0.202 122.603 122.820 -0.025 0.000 1.972 149 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 149 A C 2.245 179.746 177.584 -0.138 0.000 1.169 149 A CA 1.554 53.554 52.037 -0.061 0.000 0.635 149 A CB -0.417 18.550 19.000 -0.053 0.000 0.810 149 A HN 0.544 nan 8.150 nan 0.000 0.446 150 R N -2.256 118.113 120.500 -0.218 0.000 2.090 150 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 150 R C 1.935 177.805 176.300 -0.718 0.000 1.110 150 R CA 1.154 56.932 56.100 -0.537 0.000 0.973 150 R CB -0.346 29.627 30.300 -0.545 0.000 0.869 150 R HN 0.522 nan 8.270 nan 0.000 0.440 151 F N 1.956 121.659 119.950 -0.412 0.000 2.113 151 F HA -0.082 4.445 4.527 -0.000 0.000 0.297 151 F C 2.057 177.793 175.800 -0.107 0.000 1.103 151 F CA 1.328 59.220 58.000 -0.180 0.000 1.248 151 F CB -0.272 38.700 39.000 -0.048 0.000 0.999 151 F HN -0.170 nan 8.300 nan 0.000 0.475 152 R N -0.167 120.388 120.500 0.091 0.000 2.105 152 R HA -0.167 4.172 4.340 -0.000 0.000 0.239 152 R C 2.461 178.774 176.300 0.022 0.000 1.135 152 R CA 1.829 57.933 56.100 0.007 0.000 0.967 152 R CB -0.735 29.548 30.300 -0.030 0.000 0.861 152 R HN 0.416 nan 8.270 nan 0.000 0.442 153 S N 0.043 115.722 115.700 -0.036 0.000 2.414 153 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 153 S C 1.929 176.628 174.600 0.166 0.000 1.022 153 S CA 0.470 58.672 58.200 0.002 0.000 0.958 153 S CB -0.451 62.703 63.200 -0.076 0.000 0.797 153 S HN 0.294 nan 8.310 nan 0.000 0.493 154 F N 1.476 121.488 119.950 0.104 0.000 2.134 154 F HA 0.011 4.538 4.527 -0.000 0.000 0.299 154 F C 2.328 178.192 175.800 0.106 0.000 1.097 154 F CA 0.874 58.935 58.000 0.101 0.000 1.264 154 F CB -0.290 38.782 39.000 0.120 0.000 1.001 154 F HN 0.212 nan 8.300 nan 0.000 0.479 155 I N 0.109 120.875 120.570 0.327 0.000 2.202 155 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 155 I C 2.739 178.925 176.117 0.114 0.000 1.091 155 I CA 1.048 62.460 61.300 0.187 0.000 1.368 155 I CB -0.732 37.331 38.000 0.104 0.000 1.058 155 I HN 0.038 nan 8.210 nan 0.000 0.410 156 A N 0.516 123.392 122.820 0.095 0.000 1.948 156 A HA -0.258 4.061 4.320 -0.000 0.000 0.220 156 A C 2.364 179.987 177.584 0.064 0.000 1.177 156 A CA 1.829 53.901 52.037 0.059 0.000 0.636 156 A CB -0.663 18.362 19.000 0.042 0.000 0.815 156 A HN 0.389 nan 8.150 nan 0.000 0.449 157 M N -1.613 118.044 119.600 0.095 0.000 2.296 157 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 157 M C 2.068 178.404 176.300 0.059 0.000 1.064 157 M CA 1.733 57.081 55.300 0.079 0.000 1.109 157 M CB -0.059 32.606 32.600 0.109 0.000 1.396 157 M HN 0.544 nan 8.290 nan 0.000 0.430 158 E N 0.525 120.767 120.200 0.071 0.000 2.112 158 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 158 E C 1.518 178.140 176.600 0.037 0.000 0.979 158 E CA 1.103 57.535 56.400 0.052 0.000 0.814 158 E CB 0.106 29.848 29.700 0.069 0.000 0.762 158 E HN 0.480 nan 8.360 nan 0.000 0.460 159 L N -1.799 119.446 121.223 0.037 0.000 2.575 159 L HA 0.391 4.731 4.340 -0.000 0.000 0.228 159 L C 1.050 177.931 176.870 0.018 0.000 1.075 159 L CA 0.179 55.033 54.840 0.024 0.000 0.867 159 L CB 0.416 42.487 42.059 0.020 0.000 1.097 159 L HN 0.275 nan 8.230 nan 0.000 0.485 160 G N 1.954 110.766 108.800 0.021 0.000 2.291 160 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.271 160 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.271 160 G C -0.187 174.719 174.900 0.010 0.000 1.099 160 G CA 0.189 45.298 45.100 0.015 0.000 0.919 160 G HN 0.264 nan 8.290 nan 0.000 0.496 161 V N -2.872 117.048 119.914 0.011 0.000 2.962 161 V HA 0.916 5.036 4.120 -0.000 0.000 0.313 161 V C 0.838 176.933 176.094 0.002 0.000 1.099 161 V CA -0.322 61.980 62.300 0.004 0.000 0.971 161 V CB 1.522 33.346 31.823 0.001 0.000 1.028 161 V HN 1.488 nan 8.190 nan 0.000 0.430 162 S N 2.332 118.030 115.700 -0.004 0.000 2.554 162 S HA 0.099 4.569 4.470 -0.000 0.000 0.290 162 S C 0.875 175.470 174.600 -0.009 0.000 1.309 162 S CA 0.316 58.512 58.200 -0.007 0.000 1.047 162 S CB 0.067 63.261 63.200 -0.010 0.000 0.828 162 S HN 0.774 nan 8.310 nan 0.000 0.509 163 M N 3.140 122.733 119.600 -0.011 0.000 2.561 163 M HA 0.035 4.515 4.480 -0.000 0.000 0.238 163 M C 2.013 178.301 176.300 -0.021 0.000 1.131 163 M CA 0.448 55.739 55.300 -0.015 0.000 1.046 163 M CB -0.089 32.502 32.600 -0.016 0.000 1.532 163 M HN 0.806 nan 8.290 nan 0.000 0.497 164 Q N 0.503 120.291 119.800 -0.021 0.000 2.451 164 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 164 Q C 0.025 176.009 176.000 -0.026 0.000 0.947 164 Q CA 0.799 56.588 55.803 -0.023 0.000 0.937 164 Q CB 0.472 29.198 28.738 -0.021 0.000 1.025 164 Q HN 0.352 nan 8.270 nan 0.000 0.511 165 D N 0.054 120.440 120.400 -0.025 0.000 2.462 165 D HA 0.238 4.878 4.640 -0.000 0.000 0.221 165 D C -0.463 175.818 176.300 -0.032 0.000 1.173 165 D CA 0.093 54.077 54.000 -0.027 0.000 0.831 165 D CB 0.612 41.399 40.800 -0.021 0.000 1.001 165 D HN 0.235 nan 8.370 nan 0.000 0.499 166 I N 0.742 121.290 120.570 -0.037 0.000 2.404 166 I HA 0.262 4.431 4.170 -0.000 0.000 0.293 166 I C -0.165 175.915 176.117 -0.061 0.000 0.992 166 I CA -0.808 60.461 61.300 -0.050 0.000 1.149 166 I CB 1.803 39.775 38.000 -0.047 0.000 1.315 166 I HN -0.284 nan 8.210 nan 0.000 0.446 167 N N 4.376 123.031 118.700 -0.075 0.000 2.321 167 N HA 0.749 5.489 4.740 -0.000 0.000 0.299 167 N C -1.244 174.203 175.510 -0.105 0.000 1.048 167 N CA -0.319 52.686 53.050 -0.074 0.000 0.836 167 N CB 1.766 40.214 38.487 -0.064 0.000 1.269 167 N HN 0.749 nan 8.380 nan 0.000 0.486 168 A N 2.248 125.012 122.820 -0.093 0.000 2.386 168 A HA 0.567 4.887 4.320 -0.000 0.000 0.311 168 A C -1.169 176.397 177.584 -0.029 0.000 1.068 168 A CA -0.653 51.306 52.037 -0.130 0.000 0.743 168 A CB 1.046 19.953 19.000 -0.155 0.000 1.258 168 A HN 0.760 nan 8.150 nan 0.000 0.429 169 C N 2.736 122.037 119.300 0.003 0.000 2.281 169 C HA 0.743 5.203 4.460 -0.000 0.000 0.323 169 C C -0.847 174.199 174.990 0.094 0.000 1.270 169 C CA -0.117 58.946 59.018 0.074 0.000 1.559 169 C CB -0.578 27.251 27.740 0.148 0.000 2.239 169 C HN 0.681 nan 8.230 nan 0.000 0.488 170 V N 8.137 128.106 119.914 0.092 0.000 2.524 170 V HA 0.483 4.603 4.120 -0.000 0.000 0.297 170 V C -0.349 175.779 176.094 0.058 0.000 1.035 170 V CA -0.299 62.060 62.300 0.099 0.000 0.867 170 V CB 1.402 33.304 31.823 0.131 0.000 1.004 170 V HN 0.786 nan 8.190 nan 0.000 0.426 171 L N 3.544 124.785 121.223 0.030 0.000 2.303 171 L HA 1.015 5.355 4.340 -0.000 0.000 0.266 171 L C 0.961 177.819 176.870 -0.020 0.000 1.011 171 L CA -0.106 54.723 54.840 -0.019 0.000 0.818 171 L CB 1.903 43.914 42.059 -0.080 0.000 1.326 171 L HN 0.895 nan 8.230 nan 0.000 0.435 172 G N 0.367 109.138 108.800 -0.049 0.000 2.527 172 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.227 172 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.227 172 G C -0.142 174.758 174.900 -0.000 0.000 1.291 172 G CA -0.343 44.736 45.100 -0.034 0.000 0.904 172 G HN 1.058 nan 8.290 nan 0.000 0.577 173 G N -2.037 106.771 108.800 0.013 0.000 2.828 173 G HA2 0.680 4.640 3.960 -0.000 0.000 0.244 173 G HA3 0.680 4.640 3.960 -0.000 0.000 0.244 173 G C -0.232 174.748 174.900 0.133 0.000 1.365 173 G CA -0.118 44.990 45.100 0.012 0.000 1.041 173 G HN 0.884 nan 8.290 nan 0.000 0.560 174 H N -1.395 117.680 119.070 0.009 0.000 2.495 174 H HA 0.444 5.000 4.556 -0.000 0.000 0.350 174 H C 1.237 176.568 175.328 0.005 0.000 1.202 174 H CA -0.163 55.889 56.048 0.008 0.000 1.322 174 H CB 1.292 31.061 29.762 0.012 0.000 1.544 174 H HN 0.999 nan 8.280 nan 0.000 0.565 175 G N 1.188 110.059 108.800 0.118 0.000 2.574 175 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.301 175 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.301 175 G C 0.565 175.486 174.900 0.035 0.000 1.166 175 G CA 0.622 45.755 45.100 0.055 0.000 0.971 175 G HN 0.678 nan 8.290 nan 0.000 0.542 176 D N 1.750 122.168 120.400 0.031 0.000 2.349 176 D HA 0.390 5.030 4.640 -0.000 0.000 0.224 176 D C 2.061 178.374 176.300 0.022 0.000 1.029 176 D CA 1.176 55.188 54.000 0.020 0.000 0.879 176 D CB -0.033 40.776 40.800 0.015 0.000 0.906 176 D HN 0.754 nan 8.370 nan 0.000 0.528 177 A N -0.057 122.783 122.820 0.033 0.000 2.430 177 A HA 0.218 4.537 4.320 -0.000 0.000 0.243 177 A C 0.886 178.489 177.584 0.032 0.000 1.254 177 A CA -0.320 51.733 52.037 0.026 0.000 0.914 177 A CB -0.075 18.939 19.000 0.024 0.000 0.998 177 A HN 0.122 nan 8.150 nan 0.000 0.515 178 M N 1.177 120.803 119.600 0.043 0.000 2.235 178 M HA 0.372 4.852 4.480 -0.000 0.000 0.351 178 M C -1.372 174.945 176.300 0.029 0.000 1.178 178 M CA 0.268 55.597 55.300 0.049 0.000 1.143 178 M CB 0.960 33.589 32.600 0.048 0.000 1.530 178 M HN -0.016 nan 8.290 nan 0.000 0.461 179 V N 7.454 127.386 119.914 0.030 0.000 2.320 179 V HA 0.363 4.483 4.120 -0.000 0.000 0.268 179 V C -2.242 173.879 176.094 0.045 0.000 1.021 179 V CA -1.227 61.087 62.300 0.022 0.000 0.813 179 V CB 0.826 32.645 31.823 -0.006 0.000 1.054 179 V HN 0.728 nan 8.190 nan 0.000 0.444 180 P HA 0.231 nan 4.420 nan 0.000 0.281 180 P C -0.500 176.852 177.300 0.086 0.000 1.252 180 P CA -0.068 63.119 63.100 0.145 0.000 0.778 180 P CB 2.018 33.864 31.700 0.244 0.000 0.895 181 V N 5.104 125.048 119.914 0.051 0.000 2.259 181 V HA 0.009 4.128 4.120 -0.000 0.000 0.267 181 V C 1.933 177.997 176.094 -0.050 0.000 1.051 181 V CA -0.278 61.990 62.300 -0.053 0.000 0.830 181 V CB 0.574 32.307 31.823 -0.150 0.000 1.080 181 V HN 0.335 nan 8.190 nan 0.000 0.467 182 V N 4.533 124.438 119.914 -0.016 0.000 2.278 182 V HA -0.319 3.800 4.120 -0.000 0.000 0.251 182 V C 2.487 178.567 176.094 -0.024 0.000 1.062 182 V CA 2.647 64.945 62.300 -0.004 0.000 1.038 182 V CB -0.887 30.949 31.823 0.023 0.000 0.646 182 V HN 1.009 nan 8.190 nan 0.000 0.447 183 K N -0.433 119.927 120.400 -0.067 0.000 2.360 183 K HA -0.173 4.147 4.320 -0.000 0.000 0.201 183 K C 1.617 178.350 176.600 0.222 0.000 1.046 183 K CA 2.014 58.300 56.287 -0.002 0.000 0.940 183 K CB -0.430 32.023 32.500 -0.078 0.000 0.748 183 K HN 0.634 nan 8.250 nan 0.000 0.465 184 Y N 1.139 121.425 120.300 -0.024 0.000 2.507 184 Y HA 0.142 4.691 4.550 -0.000 0.000 0.254 184 Y C 0.012 175.869 175.900 -0.073 0.000 1.171 184 Y CA -0.937 57.140 58.100 -0.037 0.000 1.238 184 Y CB 1.061 39.508 38.460 -0.022 0.000 1.148 184 Y HN -0.076 nan 8.280 nan 0.000 0.525 185 T N 1.779 116.359 114.554 0.043 0.000 2.811 185 T HA 0.184 4.534 4.350 -0.000 0.000 0.309 185 T C 0.489 175.145 174.700 -0.073 0.000 1.005 185 T CA -0.256 61.786 62.100 -0.096 0.000 0.955 185 T CB 0.670 69.386 68.868 -0.253 0.000 0.970 185 T HN 0.276 nan 8.240 nan 0.000 0.496 186 T N -0.360 114.156 114.554 -0.065 0.000 2.870 186 T HA 0.774 5.124 4.350 -0.000 0.000 0.277 186 T C -0.547 174.119 174.700 -0.056 0.000 1.000 186 T CA -0.812 61.259 62.100 -0.048 0.000 0.982 186 T CB 1.392 70.239 68.868 -0.034 0.000 1.249 186 T HN 0.194 nan 8.240 nan 0.000 0.589 187 V N 1.069 120.960 119.914 -0.039 0.000 2.595 187 V HA 0.643 4.763 4.120 -0.000 0.000 0.269 187 V C 0.481 176.560 176.094 -0.026 0.000 0.982 187 V CA -0.205 62.075 62.300 -0.033 0.000 0.873 187 V CB 0.123 31.931 31.823 -0.025 0.000 1.051 187 V HN 1.731 nan 8.190 nan 0.000 0.466 188 A N 3.120 125.922 122.820 -0.029 0.000 2.905 188 A HA 0.082 4.402 4.320 -0.000 0.000 0.260 188 A C 1.833 179.402 177.584 -0.026 0.000 1.398 188 A CA 1.691 53.712 52.037 -0.026 0.000 0.840 188 A CB -1.462 17.526 19.000 -0.019 0.000 1.059 188 A HN 2.554 nan 8.150 nan 0.000 0.647 189 G N -2.548 106.234 108.800 -0.030 0.000 2.254 189 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.225 189 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.225 189 G C -0.006 174.881 174.900 -0.022 0.000 1.003 189 G CA 0.102 45.184 45.100 -0.030 0.000 0.622 189 G HN 1.395 nan 8.290 nan 0.000 0.507 190 I N 2.507 123.067 120.570 -0.018 0.000 2.416 190 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 190 I C -1.998 174.113 176.117 -0.009 0.000 1.051 190 I CA -2.867 58.427 61.300 -0.010 0.000 1.375 190 I CB 0.317 38.312 38.000 -0.009 0.000 1.407 190 I HN -0.111 nan 8.210 nan 0.000 0.516 191 P HA 0.115 nan 4.420 nan 0.000 0.269 191 P C 1.205 178.504 177.300 -0.003 0.000 1.209 191 P CA -0.067 63.038 63.100 0.008 0.000 0.776 191 P CB 0.602 32.316 31.700 0.023 0.000 0.876 192 I N -0.252 120.311 120.570 -0.013 0.000 3.564 192 I HA -0.057 4.113 4.170 -0.000 0.000 0.294 192 I C 1.240 177.360 176.117 0.005 0.000 1.289 192 I CA 0.861 62.154 61.300 -0.012 0.000 1.325 192 I CB -0.585 37.395 38.000 -0.034 0.000 1.039 192 I HN 0.158 nan 8.210 nan 0.000 0.474 193 S N -0.095 115.611 115.700 0.010 0.000 2.561 193 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 193 S C 0.995 175.603 174.600 0.013 0.000 0.977 193 S CA 0.346 58.556 58.200 0.016 0.000 0.926 193 S CB -0.328 62.882 63.200 0.017 0.000 0.769 193 S HN 0.491 nan 8.310 nan 0.000 0.533 194 D N 0.739 121.146 120.400 0.010 0.000 2.369 194 D HA 0.326 4.966 4.640 -0.000 0.000 0.211 194 D C 1.163 177.468 176.300 0.008 0.000 1.077 194 D CA 0.173 54.178 54.000 0.009 0.000 0.842 194 D CB 0.461 41.266 40.800 0.007 0.000 0.947 194 D HN 0.410 nan 8.370 nan 0.000 0.509 195 L N -0.882 120.347 121.223 0.009 0.000 2.730 195 L HA 0.283 4.623 4.340 -0.000 0.000 0.236 195 L C 0.438 177.317 176.870 0.014 0.000 1.061 195 L CA 0.311 55.156 54.840 0.009 0.000 0.898 195 L CB 0.841 42.904 42.059 0.007 0.000 1.270 195 L HN -0.175 nan 8.230 nan 0.000 0.500 196 L N -0.367 120.867 121.223 0.019 0.000 2.354 196 L HA 0.522 4.861 4.340 -0.000 0.000 0.264 196 L C -2.403 174.482 176.870 0.024 0.000 1.008 196 L CA -1.892 52.962 54.840 0.024 0.000 0.819 196 L CB 1.941 44.022 42.059 0.037 0.000 1.339 196 L HN -0.268 nan 8.230 nan 0.000 0.420 197 P HA 0.092 nan 4.420 nan 0.000 0.271 197 P C 0.006 177.322 177.300 0.025 0.000 1.233 197 P CA -0.187 62.925 63.100 0.019 0.000 0.789 197 P CB 0.793 32.502 31.700 0.015 0.000 0.951 198 A N 1.345 124.178 122.820 0.022 0.000 2.014 198 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 198 A C 1.794 179.392 177.584 0.023 0.000 1.163 198 A CA 1.313 53.365 52.037 0.025 0.000 0.652 198 A CB -0.836 18.175 19.000 0.019 0.000 0.808 198 A HN 0.622 nan 8.150 nan 0.000 0.449 199 E N -0.777 119.433 120.200 0.016 0.000 2.072 199 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 199 E C 1.938 178.545 176.600 0.011 0.000 0.982 199 E CA 1.451 57.857 56.400 0.010 0.000 0.803 199 E CB -0.279 29.424 29.700 0.004 0.000 0.755 199 E HN 0.538 nan 8.360 nan 0.000 0.453 200 T N 1.655 116.219 114.554 0.017 0.000 2.746 200 T HA -0.100 4.249 4.350 -0.000 0.000 0.267 200 T C 1.986 176.711 174.700 0.041 0.000 1.039 200 T CA 0.798 62.910 62.100 0.021 0.000 1.142 200 T CB -0.136 68.748 68.868 0.026 0.000 0.866 200 T HN 0.107 nan 8.240 nan 0.000 0.444 201 I N 1.209 121.816 120.570 0.061 0.000 2.226 201 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 201 I C 2.345 178.513 176.117 0.086 0.000 1.100 201 I CA 1.166 62.531 61.300 0.107 0.000 1.374 201 I CB -0.392 37.672 38.000 0.106 0.000 1.057 201 I HN 0.184 nan 8.210 nan 0.000 0.413 202 D N 1.412 121.839 120.400 0.044 0.000 2.149 202 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 202 D C 2.112 178.405 176.300 -0.012 0.000 0.990 202 D CA 1.550 55.561 54.000 0.018 0.000 0.839 202 D CB -0.059 40.746 40.800 0.008 0.000 0.948 202 D HN 0.538 nan 8.370 nan 0.000 0.460 203 K N 0.724 121.112 120.400 -0.020 0.000 2.116 203 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 203 K C 2.330 178.873 176.600 -0.095 0.000 1.052 203 K CA 0.599 56.851 56.287 -0.059 0.000 0.952 203 K CB -0.505 31.959 32.500 -0.061 0.000 0.729 203 K HN 0.089 nan 8.250 nan 0.000 0.446 204 L N 1.429 122.623 121.223 -0.049 0.000 2.191 204 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 204 L C 2.351 179.104 176.870 -0.194 0.000 1.103 204 L CA 0.620 55.430 54.840 -0.049 0.000 0.769 204 L CB -0.287 41.884 42.059 0.188 0.000 0.908 204 L HN 0.077 nan 8.230 nan 0.000 0.438 205 V N -0.967 118.844 119.914 -0.172 0.000 2.407 205 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 205 V C 2.495 178.477 176.094 -0.187 0.000 1.041 205 V CA 1.233 63.368 62.300 -0.275 0.000 1.040 205 V CB -0.259 31.517 31.823 -0.079 0.000 0.671 205 V HN 0.349 nan 8.190 nan 0.000 0.455 206 E N 0.434 120.563 120.200 -0.118 0.000 2.051 206 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 206 E C 2.396 178.938 176.600 -0.096 0.000 0.991 206 E CA 1.290 57.636 56.400 -0.090 0.000 0.799 206 E CB -0.261 29.394 29.700 -0.074 0.000 0.748 206 E HN 0.427 nan 8.360 nan 0.000 0.449 207 R N 0.095 120.511 120.500 -0.139 0.000 2.159 207 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 207 R C 2.017 178.351 176.300 0.057 0.000 1.131 207 R CA 1.634 57.642 56.100 -0.153 0.000 0.982 207 R CB -0.028 29.986 30.300 -0.476 0.000 0.868 207 R HN 0.092 nan 8.270 nan 0.000 0.453 208 T N -0.014 114.574 114.554 0.058 0.000 2.851 208 T HA -0.001 4.349 4.350 -0.000 0.000 0.262 208 T C 1.675 176.349 174.700 -0.044 0.000 1.043 208 T CA 0.806 62.938 62.100 0.052 0.000 1.140 208 T CB -0.077 68.637 68.868 -0.256 0.000 0.872 208 T HN 0.322 nan 8.240 nan 0.000 0.446 209 R N 1.665 122.123 120.500 -0.070 0.000 2.117 209 R HA -0.023 4.317 4.340 -0.000 0.000 0.243 209 R C 1.038 177.316 176.300 -0.036 0.000 1.143 209 R CA 1.201 57.270 56.100 -0.052 0.000 0.968 209 R CB -0.158 30.117 30.300 -0.042 0.000 0.863 209 R HN 0.357 nan 8.270 nan 0.000 0.444 210 N N -0.239 118.447 118.700 -0.024 0.000 2.279 210 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 210 N C 1.093 176.608 175.510 0.007 0.000 1.126 210 N CA 0.306 53.347 53.050 -0.014 0.000 0.846 210 N CB 0.933 39.409 38.487 -0.019 0.000 1.050 210 N HN 0.232 nan 8.380 nan 0.000 0.502 211 G N 0.946 109.756 108.800 0.016 0.000 2.469 211 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 211 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 211 G C 1.458 176.376 174.900 0.030 0.000 1.150 211 G CA 1.111 46.246 45.100 0.058 0.000 0.763 211 G HN 0.408 nan 8.290 nan 0.000 0.561 212 G N 0.639 109.428 108.800 -0.018 0.000 2.408 212 G HA2 0.182 4.141 3.960 -0.000 0.000 0.215 212 G HA3 0.182 4.141 3.960 -0.000 0.000 0.215 212 G C 1.924 176.842 174.900 0.029 0.000 1.156 212 G CA 1.202 46.304 45.100 0.003 0.000 0.793 212 G HN 0.632 nan 8.290 nan 0.000 0.535 213 A N 0.259 123.090 122.820 0.018 0.000 2.172 213 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 213 A C 2.004 179.593 177.584 0.007 0.000 1.154 213 A CA 1.623 53.668 52.037 0.014 0.000 0.701 213 A CB -0.208 18.793 19.000 0.002 0.000 0.789 213 A HN 0.457 nan 8.150 nan 0.000 0.465 214 E N -0.185 120.032 120.200 0.028 0.000 2.076 214 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 214 E C 1.596 178.263 176.600 0.111 0.000 0.979 214 E CA 0.764 57.184 56.400 0.032 0.000 0.807 214 E CB -0.030 29.719 29.700 0.081 0.000 0.761 214 E HN 0.516 nan 8.360 nan 0.000 0.454 215 I N 0.937 121.592 120.570 0.142 0.000 2.439 215 I HA -0.166 4.003 4.170 -0.000 0.000 0.251 215 I C 2.406 178.616 176.117 0.156 0.000 1.139 215 I CA 0.673 62.083 61.300 0.182 0.000 1.438 215 I CB -0.865 37.207 38.000 0.120 0.000 1.085 215 I HN 0.052 nan 8.210 nan 0.000 0.427 216 V N 0.821 120.792 119.914 0.095 0.000 2.379 216 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 216 V C 2.611 178.734 176.094 0.049 0.000 1.044 216 V CA 1.557 63.901 62.300 0.073 0.000 1.036 216 V CB -0.537 31.315 31.823 0.049 0.000 0.664 216 V HN 0.381 nan 8.190 nan 0.000 0.453 217 E N -0.768 119.430 120.200 -0.003 0.000 2.265 217 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 217 E C 2.022 178.585 176.600 -0.062 0.000 0.996 217 E CA 1.167 57.531 56.400 -0.060 0.000 0.832 217 E CB -0.078 29.542 29.700 -0.133 0.000 0.756 217 E HN 0.671 nan 8.360 nan 0.000 0.491 218 H N 0.391 119.479 119.070 0.030 0.000 2.266 218 H HA 0.033 4.589 4.556 -0.000 0.000 0.308 218 H C 2.414 177.765 175.328 0.038 0.000 1.057 218 H CA 1.170 57.237 56.048 0.032 0.000 1.330 218 H CB -0.463 29.320 29.762 0.035 0.000 1.400 218 H HN 0.135 nan 8.280 nan 0.000 0.503 219 L N 0.635 121.978 121.223 0.200 0.000 2.189 219 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 219 L C 1.533 178.460 176.870 0.094 0.000 1.097 219 L CA 1.212 56.132 54.840 0.133 0.000 0.764 219 L CB -0.419 41.720 42.059 0.134 0.000 0.900 219 L HN 0.325 nan 8.230 nan 0.000 0.436 220 K N -0.969 119.478 120.400 0.079 0.000 3.510 220 K HA -0.271 4.049 4.320 -0.000 0.000 0.312 220 K C 0.114 176.740 176.600 0.043 0.000 1.271 220 K CA 1.551 57.868 56.287 0.050 0.000 1.002 220 K CB -0.693 31.834 32.500 0.045 0.000 1.262 220 K HN 0.483 nan 8.250 nan 0.000 0.424 221 Q N -0.881 118.950 119.800 0.051 0.000 3.550 221 Q HA 0.417 4.757 4.340 -0.000 0.000 0.206 221 Q C -0.085 175.940 176.000 0.042 0.000 0.891 221 Q CA -0.040 55.786 55.803 0.038 0.000 0.737 221 Q CB 1.925 30.681 28.738 0.030 0.000 1.417 221 Q HN 0.375 nan 8.270 nan 0.000 0.460 222 G N 0.806 109.632 108.800 0.045 0.000 2.286 222 G HA2 0.194 4.154 3.960 -0.000 0.000 0.118 222 G HA3 0.194 4.154 3.960 -0.000 0.000 0.118 222 G C -1.088 173.856 174.900 0.072 0.000 1.267 222 G CA -0.032 45.096 45.100 0.047 0.000 1.171 222 G HN 0.953 nan 8.290 nan 0.000 0.465 223 S N -1.224 114.546 115.700 0.116 0.000 2.645 223 S HA 0.821 5.290 4.470 -0.000 0.000 0.268 223 S C -0.063 174.674 174.600 0.229 0.000 1.110 223 S CA 0.695 58.977 58.200 0.136 0.000 0.823 223 S CB 0.739 64.000 63.200 0.102 0.000 1.091 223 S HN 2.530 nan 8.310 nan 0.000 0.466 224 A N 0.519 123.442 122.820 0.173 0.000 2.429 224 A HA 0.707 5.027 4.320 -0.000 0.000 0.242 224 A C 0.402 178.127 177.584 0.236 0.000 1.088 224 A CA 0.458 52.578 52.037 0.139 0.000 0.784 224 A CB -0.658 18.375 19.000 0.055 0.000 1.038 224 A HN 2.072 nan 8.150 nan 0.000 0.501 225 F N -4.631 115.302 119.950 -0.028 0.000 2.958 225 F HA 0.183 4.709 4.527 -0.000 0.000 0.418 225 F C 0.871 176.606 175.800 -0.108 0.000 0.961 225 F CA -0.303 57.641 58.000 -0.093 0.000 0.919 225 F CB -0.294 38.605 39.000 -0.168 0.000 1.395 225 F HN 0.427 nan 8.300 nan 0.000 0.545 226 Y N 1.859 121.842 120.300 -0.528 0.000 2.153 226 Y HA 0.172 4.722 4.550 -0.000 0.000 0.289 226 Y C 2.767 178.597 175.900 -0.118 0.000 1.127 226 Y CA 1.876 59.797 58.100 -0.298 0.000 1.131 226 Y CB -0.498 37.739 38.460 -0.372 0.000 0.995 226 Y HN 0.251 nan 8.280 nan 0.000 0.505 227 A N 0.161 123.008 122.820 0.044 0.000 1.898 227 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 227 A C -0.312 177.289 177.584 0.030 0.000 1.181 227 A CA 1.395 53.444 52.037 0.021 0.000 0.620 227 A CB -1.786 17.205 19.000 -0.015 0.000 0.819 227 A HN 0.266 nan 8.150 nan 0.000 0.442 228 P HA -0.120 nan 4.420 nan 0.000 0.216 228 P C 1.603 178.943 177.300 0.067 0.000 1.150 228 P CA 1.914 65.050 63.100 0.060 0.000 0.837 228 P CB -0.027 31.723 31.700 0.083 0.000 0.786 229 A N -1.123 121.743 122.820 0.076 0.000 1.970 229 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 229 A C 2.258 179.880 177.584 0.063 0.000 1.170 229 A CA 1.543 53.628 52.037 0.080 0.000 0.645 229 A CB -1.223 17.843 19.000 0.109 0.000 0.816 229 A HN 0.086 nan 8.150 nan 0.000 0.447 230 S N 0.285 116.020 115.700 0.059 0.000 2.383 230 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 230 S C 2.238 176.852 174.600 0.024 0.000 1.026 230 S CA 1.307 59.530 58.200 0.038 0.000 0.981 230 S CB -0.226 62.994 63.200 0.033 0.000 0.818 230 S HN 0.608 nan 8.310 nan 0.000 0.472 231 S N 1.430 117.147 115.700 0.028 0.000 2.353 231 S HA -0.087 4.383 4.470 -0.000 0.000 0.222 231 S C 2.072 176.689 174.600 0.028 0.000 1.035 231 S CA 1.283 59.498 58.200 0.025 0.000 1.025 231 S CB -0.480 62.741 63.200 0.034 0.000 0.902 231 S HN 0.347 nan 8.310 nan 0.000 0.440 232 V N 1.682 121.618 119.914 0.036 0.000 2.392 232 V HA -0.136 3.983 4.120 -0.000 0.000 0.249 232 V C 2.247 178.357 176.094 0.025 0.000 1.059 232 V CA 1.415 63.736 62.300 0.035 0.000 1.051 232 V CB -0.805 31.044 31.823 0.042 0.000 0.658 232 V HN 0.352 nan 8.190 nan 0.000 0.455 233 V N -0.088 119.838 119.914 0.020 0.000 2.626 233 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 233 V C 2.462 178.556 176.094 -0.000 0.000 1.067 233 V CA 1.907 64.210 62.300 0.005 0.000 1.081 233 V CB -0.603 31.216 31.823 -0.006 0.000 0.686 233 V HN 0.583 nan 8.190 nan 0.000 0.468 234 E N 0.611 120.813 120.200 0.004 0.000 2.051 234 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 234 E C 2.150 178.752 176.600 0.004 0.000 0.991 234 E CA 1.811 58.211 56.400 -0.000 0.000 0.799 234 E CB -0.319 29.382 29.700 0.001 0.000 0.748 234 E HN 0.547 nan 8.360 nan 0.000 0.449 235 M N -0.780 118.827 119.600 0.012 0.000 2.117 235 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 235 M C 2.201 178.511 176.300 0.017 0.000 1.065 235 M CA 1.141 56.452 55.300 0.018 0.000 1.114 235 M CB -0.191 32.425 32.600 0.027 0.000 1.361 235 M HN 0.033 nan 8.290 nan 0.000 0.408 236 V N 0.420 120.343 119.914 0.015 0.000 2.287 236 V HA -0.295 3.824 4.120 -0.000 0.000 0.248 236 V C 2.290 178.387 176.094 0.006 0.000 1.053 236 V CA 2.240 64.548 62.300 0.013 0.000 1.027 236 V CB -0.779 31.049 31.823 0.010 0.000 0.646 236 V HN 0.538 nan 8.190 nan 0.000 0.447 237 E N -0.199 120.000 120.200 -0.002 0.000 2.085 237 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 237 E C 2.442 179.041 176.600 -0.002 0.000 0.994 237 E CA 1.655 58.050 56.400 -0.007 0.000 0.801 237 E CB -0.222 29.470 29.700 -0.015 0.000 0.743 237 E HN 0.525 nan 8.360 nan 0.000 0.453 238 S N -0.051 115.650 115.700 0.002 0.000 2.359 238 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 238 S C 1.978 176.585 174.600 0.011 0.000 1.035 238 S CA 1.356 59.559 58.200 0.006 0.000 1.018 238 S CB -0.276 62.929 63.200 0.008 0.000 0.876 238 S HN 0.323 nan 8.310 nan 0.000 0.448 239 I N 0.918 121.497 120.570 0.015 0.000 2.163 239 I HA -0.136 4.034 4.170 -0.000 0.000 0.240 239 I C 2.295 178.421 176.117 0.016 0.000 1.081 239 I CA 1.062 62.374 61.300 0.020 0.000 1.353 239 I CB -0.562 37.453 38.000 0.025 0.000 1.054 239 I HN 0.202 nan 8.210 nan 0.000 0.407 240 V N 1.063 120.984 119.914 0.012 0.000 2.237 240 V HA -0.272 3.847 4.120 -0.000 0.000 0.245 240 V C 2.236 178.335 176.094 0.007 0.000 1.046 240 V CA 1.792 64.097 62.300 0.009 0.000 1.007 240 V CB -0.578 31.247 31.823 0.003 0.000 0.638 240 V HN 0.379 nan 8.190 nan 0.000 0.445 241 L N -0.249 120.976 121.223 0.003 0.000 2.552 241 L HA 0.059 4.398 4.340 -0.000 0.000 0.227 241 L C 0.891 177.763 176.870 0.005 0.000 1.146 241 L CA 0.615 55.456 54.840 0.002 0.000 0.858 241 L CB -0.477 41.580 42.059 -0.004 0.000 0.969 241 L HN 0.485 nan 8.230 nan 0.000 0.451 242 D N 0.306 120.711 120.400 0.008 0.000 2.697 242 D HA -0.204 4.435 4.640 -0.000 0.000 0.238 242 D C 1.254 177.559 176.300 0.009 0.000 1.152 242 D CA 0.477 54.483 54.000 0.011 0.000 0.666 242 D CB -0.235 40.572 40.800 0.012 0.000 1.037 242 D HN 0.272 nan 8.370 nan 0.000 0.423 243 R N 0.941 121.445 120.500 0.006 0.000 2.093 243 R HA 0.005 4.345 4.340 -0.000 0.000 0.224 243 R C 0.915 177.219 176.300 0.006 0.000 1.101 243 R CA 0.876 56.977 56.100 0.003 0.000 0.979 243 R CB 0.095 30.393 30.300 -0.002 0.000 0.877 243 R HN 0.113 nan 8.270 nan 0.000 0.441 244 K N 0.199 120.606 120.400 0.012 0.000 3.368 244 K HA -0.094 4.225 4.320 -0.000 0.000 0.287 244 K C -0.738 175.868 176.600 0.010 0.000 1.316 244 K CA 0.345 56.644 56.287 0.020 0.000 0.841 244 K CB -1.188 31.326 32.500 0.024 0.000 1.492 244 K HN 0.160 nan 8.250 nan 0.000 0.511 245 R N 0.163 120.663 120.500 -0.000 0.000 2.817 245 R HA 0.135 4.475 4.340 -0.000 0.000 0.264 245 R C 0.581 176.865 176.300 -0.028 0.000 1.009 245 R CA 0.046 56.136 56.100 -0.017 0.000 1.133 245 R CB 0.323 30.614 30.300 -0.014 0.000 1.013 245 R HN -0.010 nan 8.270 nan 0.000 0.453 246 V N 4.589 124.463 119.914 -0.067 0.000 2.376 246 V HA 0.411 4.530 4.120 -0.000 0.000 0.287 246 V C -0.104 175.935 176.094 -0.093 0.000 1.015 246 V CA -0.501 61.726 62.300 -0.121 0.000 0.834 246 V CB 1.127 32.796 31.823 -0.257 0.000 1.001 246 V HN 0.453 nan 8.190 nan 0.000 0.428 247 L N 6.370 127.562 121.223 -0.053 0.000 2.393 247 L HA 0.634 4.974 4.340 -0.000 0.000 0.260 247 L C -2.661 174.206 176.870 -0.005 0.000 1.002 247 L CA -1.938 52.887 54.840 -0.026 0.000 0.818 247 L CB 3.253 45.307 42.059 -0.007 0.000 1.369 247 L HN 0.327 nan 8.230 nan 0.000 0.412 248 P HA 0.199 nan 4.420 nan 0.000 0.279 248 P C -1.042 176.275 177.300 0.028 0.000 1.318 248 P CA -0.179 62.933 63.100 0.021 0.000 0.819 248 P CB 0.607 32.323 31.700 0.027 0.000 0.927 249 C N 2.828 122.146 119.300 0.029 0.000 2.719 249 C HA 0.761 5.221 4.460 -0.000 0.000 0.327 249 C C 0.678 175.687 174.990 0.033 0.000 1.238 249 C CA -0.669 58.370 59.018 0.036 0.000 1.727 249 C CB 1.774 29.538 27.740 0.041 0.000 2.256 249 C HN 0.591 nan 8.230 nan 0.000 0.489 250 A N 1.515 124.366 122.820 0.052 0.000 2.347 250 A HA 0.625 4.945 4.320 -0.000 0.000 0.287 250 A C -0.058 177.599 177.584 0.122 0.000 1.199 250 A CA -0.065 52.021 52.037 0.081 0.000 0.851 250 A CB -0.178 18.886 19.000 0.105 0.000 1.118 250 A HN 1.457 nan 8.150 nan 0.000 0.525 251 V N 0.308 120.220 119.914 -0.003 0.000 3.141 251 V HA 0.955 5.075 4.120 -0.000 0.000 0.312 251 V C 0.377 176.043 176.094 -0.713 0.000 1.157 251 V CA -0.466 61.712 62.300 -0.204 0.000 1.041 251 V CB 1.354 33.079 31.823 -0.164 0.000 1.071 251 V HN 1.159 nan 8.190 nan 0.000 0.441 252 G N 1.387 109.431 108.800 -1.260 0.000 2.339 252 G HA2 0.593 4.552 3.960 -0.000 0.000 0.287 252 G HA3 0.593 4.552 3.960 -0.000 0.000 0.287 252 G C -0.685 173.795 174.900 -0.700 0.000 1.163 252 G CA -0.613 43.569 45.100 -1.531 0.000 0.872 252 G HN 0.760 nan 8.290 nan 0.000 0.464 253 L N 1.684 122.614 121.223 -0.488 0.000 2.343 253 L HA 0.456 4.795 4.340 -0.000 0.000 0.275 253 L C 0.290 177.038 176.870 -0.203 0.000 1.056 253 L CA -0.569 54.119 54.840 -0.255 0.000 0.804 253 L CB 1.835 43.810 42.059 -0.140 0.000 1.203 253 L HN 0.617 nan 8.230 nan 0.000 0.440 254 E N 1.427 121.549 120.200 -0.131 0.000 3.858 254 E HA 0.366 4.716 4.350 -0.000 0.000 0.208 254 E C 0.588 177.156 176.600 -0.053 0.000 1.041 254 E CA 0.124 56.471 56.400 -0.089 0.000 1.368 254 E CB 1.118 30.768 29.700 -0.083 0.000 1.176 254 E HN 0.970 nan 8.360 nan 0.000 0.448 255 G N 0.659 109.436 108.800 -0.038 0.000 3.180 255 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.197 255 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.197 255 G C 0.114 175.012 174.900 -0.003 0.000 1.149 255 G CA -0.864 44.223 45.100 -0.021 0.000 0.847 255 G HN 0.221 nan 8.290 nan 0.000 0.469 256 Q N -0.136 119.665 119.800 0.002 0.000 2.380 256 Q HA 0.309 4.648 4.340 -0.000 0.000 0.338 256 Q C 0.563 176.649 176.000 0.145 0.000 1.193 256 Q CA 1.139 56.950 55.803 0.014 0.000 1.023 256 Q CB -0.271 28.523 28.738 0.093 0.000 1.252 256 Q HN 0.753 nan 8.270 nan 0.000 0.422 257 Y N -0.537 119.750 120.300 -0.021 0.000 4.396 257 Y HA -0.334 4.216 4.550 -0.000 0.000 0.216 257 Y C 1.395 177.285 175.900 -0.017 0.000 1.080 257 Y CA 1.263 59.355 58.100 -0.014 0.000 1.811 257 Y CB -1.950 36.503 38.460 -0.012 0.000 1.591 257 Y HN 0.977 nan 8.280 nan 0.000 0.626 258 G N -0.608 108.238 108.800 0.076 0.000 2.184 258 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 258 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 258 G C 0.187 175.112 174.900 0.043 0.000 0.975 258 G CA 0.215 45.341 45.100 0.043 0.000 0.642 258 G HN 0.520 nan 8.290 nan 0.000 0.536 259 I N 0.745 121.352 120.570 0.061 0.000 2.396 259 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 259 I C -0.228 175.887 176.117 -0.004 0.000 0.999 259 I CA -0.537 60.777 61.300 0.024 0.000 1.310 259 I CB 1.555 39.563 38.000 0.015 0.000 1.404 259 I HN 0.077 nan 8.210 nan 0.000 0.496 260 D N 5.603 125.992 120.400 -0.019 0.000 2.738 260 D HA 0.291 4.931 4.640 -0.000 0.000 0.237 260 D C -0.940 175.331 176.300 -0.047 0.000 1.123 260 D CA -0.350 53.629 54.000 -0.035 0.000 0.856 260 D CB 0.989 41.779 40.800 -0.017 0.000 1.552 260 D HN 0.209 nan 8.370 nan 0.000 0.480 261 K N 1.541 121.896 120.400 -0.076 0.000 3.653 261 K HA -0.096 4.224 4.320 -0.000 0.000 0.275 261 K C -0.975 175.559 176.600 -0.111 0.000 0.962 261 K CA 0.683 56.923 56.287 -0.078 0.000 0.773 261 K CB -2.365 30.135 32.500 -0.001 0.000 1.463 261 K HN 0.600 nan 8.250 nan 0.000 0.450 262 T N -0.406 114.044 114.554 -0.172 0.000 2.786 262 T HA 0.588 4.938 4.350 -0.000 0.000 0.316 262 T C -0.947 173.661 174.700 -0.152 0.000 1.503 262 T CA -0.730 61.298 62.100 -0.119 0.000 1.019 262 T CB 0.980 69.810 68.868 -0.063 0.000 1.415 262 T HN 0.079 nan 8.240 nan 0.000 0.496 263 F N 1.620 121.451 119.950 -0.199 0.000 2.436 263 F HA 0.769 5.295 4.527 -0.000 0.000 0.340 263 F C 0.166 175.901 175.800 -0.108 0.000 1.113 263 F CA -0.614 57.297 58.000 -0.148 0.000 1.022 263 F CB 1.714 40.650 39.000 -0.106 0.000 1.128 263 F HN 0.334 nan 8.300 nan 0.000 0.466 264 V N 2.207 122.123 119.914 0.004 0.000 3.120 264 V HA 0.811 4.930 4.120 -0.000 0.000 0.303 264 V C -0.575 175.484 176.094 -0.057 0.000 1.238 264 V CA -0.690 61.590 62.300 -0.033 0.000 1.008 264 V CB 2.063 33.835 31.823 -0.085 0.000 1.064 264 V HN 0.822 nan 8.190 nan 0.000 0.434 265 G N 3.441 112.209 108.800 -0.054 0.000 2.354 265 G HA2 0.576 4.536 3.960 -0.000 0.000 0.266 265 G HA3 0.576 4.536 3.960 -0.000 0.000 0.266 265 G C -0.459 174.386 174.900 -0.092 0.000 1.242 265 G CA 0.447 45.520 45.100 -0.046 0.000 0.923 265 G HN 1.766 nan 8.290 nan 0.000 0.476 266 V N 0.365 120.245 119.914 -0.057 0.000 3.120 266 V HA 0.731 4.850 4.120 -0.000 0.000 0.303 266 V C -2.931 173.190 176.094 0.045 0.000 1.238 266 V CA -2.786 59.489 62.300 -0.041 0.000 1.008 266 V CB 2.185 33.975 31.823 -0.055 0.000 1.064 266 V HN 0.499 nan 8.190 nan 0.000 0.434 267 P HA 0.406 nan 4.420 nan 0.000 0.265 267 P C -0.480 176.907 177.300 0.146 0.000 1.193 267 P CA 0.302 63.442 63.100 0.067 0.000 0.765 267 P CB 0.885 32.606 31.700 0.035 0.000 0.823 268 V N -0.074 119.900 119.914 0.099 0.000 3.206 268 V HA 0.626 4.746 4.120 -0.000 0.000 0.305 268 V C -1.070 175.112 176.094 0.147 0.000 1.257 268 V CA -1.238 61.179 62.300 0.196 0.000 1.057 268 V CB 2.373 34.264 31.823 0.113 0.000 1.075 268 V HN 0.327 nan 8.190 nan 0.000 0.443 269 K N 1.769 122.303 120.400 0.223 0.000 2.339 269 K HA 0.681 5.001 4.320 -0.000 0.000 0.264 269 K C -1.751 174.903 176.600 0.091 0.000 0.986 269 K CA -0.699 55.683 56.287 0.158 0.000 0.866 269 K CB 1.431 34.083 32.500 0.253 0.000 1.103 269 K HN 0.654 nan 8.250 nan 0.000 0.441 270 L N 3.746 125.003 121.223 0.056 0.000 2.264 270 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 270 L C 0.556 177.448 176.870 0.035 0.000 1.044 270 L CA 0.168 55.033 54.840 0.043 0.000 0.807 270 L CB 1.185 43.264 42.059 0.033 0.000 1.192 270 L HN 0.860 nan 8.230 nan 0.000 0.425 271 G N 2.737 111.558 108.800 0.035 0.000 3.211 271 G HA2 0.429 4.389 3.960 -0.000 0.000 0.262 271 G HA3 0.429 4.389 3.960 -0.000 0.000 0.262 271 G C 0.749 175.666 174.900 0.028 0.000 1.352 271 G CA -0.309 44.808 45.100 0.029 0.000 1.004 271 G HN 0.617 nan 8.290 nan 0.000 0.559 272 R N -0.766 119.749 120.500 0.025 0.000 2.105 272 R HA -0.059 4.281 4.340 -0.000 0.000 0.239 272 R C 0.715 177.033 176.300 0.029 0.000 1.135 272 R CA 1.756 57.871 56.100 0.025 0.000 0.967 272 R CB -0.306 30.007 30.300 0.022 0.000 0.861 272 R HN 0.334 nan 8.270 nan 0.000 0.442 273 N N 0.871 119.589 118.700 0.030 0.000 2.313 273 N HA 0.126 4.866 4.740 -0.000 0.000 0.207 273 N C 0.701 176.234 175.510 0.039 0.000 1.141 273 N CA 0.846 53.916 53.050 0.034 0.000 0.830 273 N CB 1.151 39.656 38.487 0.030 0.000 1.008 273 N HN 0.564 nan 8.380 nan 0.000 0.481 274 G N 0.424 109.247 108.800 0.039 0.000 2.603 274 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.245 274 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.245 274 G C -0.460 174.464 174.900 0.040 0.000 1.195 274 G CA -0.233 44.893 45.100 0.043 0.000 0.953 274 G HN 0.076 nan 8.290 nan 0.000 0.566 275 V N 2.256 122.192 119.914 0.037 0.000 2.359 275 V HA 0.252 4.372 4.120 -0.000 0.000 0.248 275 V C 1.265 177.374 176.094 0.025 0.000 1.091 275 V CA 1.427 63.746 62.300 0.031 0.000 1.103 275 V CB 0.432 32.261 31.823 0.010 0.000 1.176 275 V HN 0.648 nan 8.190 nan 0.000 0.488 276 E N 3.239 123.461 120.200 0.037 0.000 2.479 276 E HA 0.125 4.475 4.350 -0.000 0.000 0.193 276 E C 0.535 177.141 176.600 0.010 0.000 1.049 276 E CA 0.049 56.464 56.400 0.025 0.000 0.870 276 E CB 0.571 30.291 29.700 0.033 0.000 0.944 276 E HN 0.782 nan 8.360 nan 0.000 0.492 277 Q N 0.550 120.361 119.800 0.019 0.000 2.766 277 Q HA 0.231 4.571 4.340 -0.000 0.000 0.240 277 Q C -1.973 174.021 176.000 -0.010 0.000 0.993 277 Q CA -0.230 55.542 55.803 -0.052 0.000 1.006 277 Q CB 1.086 29.754 28.738 -0.118 0.000 1.804 277 Q HN 0.042 nan 8.270 nan 0.000 0.464 278 I N 3.507 124.018 120.570 -0.097 0.000 2.441 278 I HA 0.413 4.583 4.170 -0.000 0.000 0.295 278 I C -1.057 175.002 176.117 -0.097 0.000 0.994 278 I CA -0.881 60.431 61.300 0.019 0.000 1.144 278 I CB 1.092 39.099 38.000 0.011 0.000 1.314 278 I HN 0.560 nan 8.210 nan 0.000 0.445 279 Y N 3.306 123.635 120.300 0.050 0.000 2.342 279 Y HA 0.320 4.870 4.550 -0.000 0.000 0.334 279 Y C 0.245 176.201 175.900 0.092 0.000 1.067 279 Y CA -0.879 57.251 58.100 0.050 0.000 1.128 279 Y CB 1.228 39.720 38.460 0.053 0.000 1.200 279 Y HN 0.467 nan 8.280 nan 0.000 0.464 280 E N 5.279 125.520 120.200 0.069 0.000 2.173 280 E HA 0.344 4.694 4.350 -0.000 0.000 0.249 280 E C -0.691 175.854 176.600 -0.091 0.000 0.923 280 E CA -0.419 55.856 56.400 -0.208 0.000 0.754 280 E CB 0.156 29.640 29.700 -0.360 0.000 1.177 280 E HN 0.692 nan 8.360 nan 0.000 0.430 281 I N 0.657 121.296 120.570 0.115 0.000 2.945 281 I HA 0.302 4.471 4.170 -0.000 0.000 0.292 281 I C -0.011 176.190 176.117 0.140 0.000 1.093 281 I CA -0.779 60.643 61.300 0.203 0.000 1.336 281 I CB 0.865 39.093 38.000 0.380 0.000 1.435 281 I HN 0.238 nan 8.210 nan 0.000 0.593 282 N N 5.415 124.224 118.700 0.182 0.000 2.739 282 N HA 0.320 5.060 4.740 -0.000 0.000 0.266 282 N C -0.398 175.153 175.510 0.068 0.000 1.168 282 N CA -0.060 53.056 53.050 0.110 0.000 1.055 282 N CB 0.284 38.840 38.487 0.116 0.000 1.393 282 N HN 0.505 nan 8.380 nan 0.000 0.514 283 L N 0.798 122.057 121.223 0.059 0.000 2.475 283 L HA 0.190 4.530 4.340 -0.000 0.000 0.253 283 L C 0.984 177.851 176.870 -0.005 0.000 1.198 283 L CA -0.535 54.309 54.840 0.006 0.000 0.814 283 L CB 0.444 42.548 42.059 0.076 0.000 1.134 283 L HN 0.380 nan 8.230 nan 0.000 0.478 284 D N 0.352 120.736 120.400 -0.027 0.000 2.163 284 D HA 0.006 4.645 4.640 -0.000 0.000 0.248 284 D C 0.439 176.739 176.300 0.000 0.000 1.035 284 D CA -0.645 53.346 54.000 -0.015 0.000 0.872 284 D CB 1.673 42.456 40.800 -0.027 0.000 1.183 284 D HN 0.424 nan 8.370 nan 0.000 0.445 285 Q N 1.521 121.324 119.800 0.005 0.000 2.340 285 Q HA -0.300 4.040 4.340 -0.000 0.000 0.215 285 Q C 1.650 177.655 176.000 0.008 0.000 0.998 285 Q CA 2.247 58.055 55.803 0.009 0.000 0.921 285 Q CB -0.322 28.419 28.738 0.006 0.000 0.926 285 Q HN 0.733 nan 8.270 nan 0.000 0.426 286 A N 0.611 123.433 122.820 0.003 0.000 1.854 286 A HA -0.164 4.155 4.320 -0.000 0.000 0.214 286 A C 1.769 179.356 177.584 0.004 0.000 1.192 286 A CA 1.624 53.662 52.037 0.002 0.000 0.611 286 A CB -0.423 18.576 19.000 -0.001 0.000 0.832 286 A HN 0.367 nan 8.150 nan 0.000 0.442 287 D N -0.060 120.340 120.400 0.000 0.000 2.123 287 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 287 D C 1.959 178.266 176.300 0.013 0.000 0.976 287 D CA 0.642 54.643 54.000 0.001 0.000 0.831 287 D CB -0.472 40.322 40.800 -0.011 0.000 0.974 287 D HN 0.233 nan 8.370 nan 0.000 0.469 288 L N 1.681 122.922 121.223 0.029 0.000 2.021 288 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 288 L C 1.771 178.665 176.870 0.039 0.000 1.074 288 L CA 2.013 56.888 54.840 0.057 0.000 0.760 288 L CB -0.831 41.269 42.059 0.068 0.000 0.889 288 L HN -0.040 nan 8.230 nan 0.000 0.433 289 D N -0.466 119.950 120.400 0.025 0.000 2.144 289 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 289 D C 2.381 178.689 176.300 0.013 0.000 0.984 289 D CA 1.202 55.213 54.000 0.019 0.000 0.834 289 D CB -0.058 40.750 40.800 0.014 0.000 0.955 289 D HN 0.463 nan 8.370 nan 0.000 0.465 290 L N -0.302 120.926 121.223 0.009 0.000 2.109 290 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 290 L C 2.409 179.277 176.870 -0.003 0.000 1.086 290 L CA 0.348 55.190 54.840 0.003 0.000 0.760 290 L CB -0.385 41.676 42.059 0.003 0.000 0.910 290 L HN 0.132 nan 8.230 nan 0.000 0.437 291 L N -0.178 121.040 121.223 -0.009 0.000 2.201 291 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 291 L C 2.497 179.352 176.870 -0.024 0.000 1.105 291 L CA 1.623 56.443 54.840 -0.035 0.000 0.775 291 L CB -0.437 41.581 42.059 -0.070 0.000 0.913 291 L HN 0.249 nan 8.230 nan 0.000 0.440 292 Q N -0.695 119.105 119.800 0.000 0.000 2.123 292 Q HA -0.162 4.177 4.340 -0.000 0.000 0.199 292 Q C 1.968 177.970 176.000 0.003 0.000 0.966 292 Q CA 1.365 57.172 55.803 0.008 0.000 0.845 292 Q CB -0.115 28.635 28.738 0.021 0.000 0.907 292 Q HN 0.498 nan 8.270 nan 0.000 0.439 293 K N 0.318 120.721 120.400 0.004 0.000 2.365 293 K HA -0.020 4.299 4.320 -0.000 0.000 0.199 293 K C 2.195 178.797 176.600 0.002 0.000 1.045 293 K CA 0.728 57.017 56.287 0.004 0.000 0.962 293 K CB 0.037 32.541 32.500 0.006 0.000 0.759 293 K HN -0.001 nan 8.250 nan 0.000 0.469 294 S N 1.176 116.874 115.700 -0.004 0.000 2.335 294 S HA -0.079 4.391 4.470 -0.000 0.000 0.217 294 S C 2.098 176.695 174.600 -0.005 0.000 1.032 294 S CA 1.085 59.282 58.200 -0.005 0.000 0.985 294 S CB -0.170 63.022 63.200 -0.014 0.000 0.896 294 S HN 0.332 nan 8.310 nan 0.000 0.445 295 A N 1.051 123.864 122.820 -0.013 0.000 2.178 295 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 295 A C 2.040 179.624 177.584 -0.001 0.000 1.157 295 A CA 1.210 53.241 52.037 -0.011 0.000 0.689 295 A CB -0.479 18.506 19.000 -0.023 0.000 0.787 295 A HN 0.617 nan 8.150 nan 0.000 0.465 296 K N -0.324 120.078 120.400 0.003 0.000 2.002 296 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 296 K C 1.560 178.167 176.600 0.012 0.000 1.048 296 K CA 1.524 57.816 56.287 0.008 0.000 0.930 296 K CB -0.221 32.284 32.500 0.008 0.000 0.714 296 K HN 0.466 nan 8.250 nan 0.000 0.438 297 I N 0.587 121.165 120.570 0.012 0.000 2.716 297 I HA -0.101 4.069 4.170 -0.000 0.000 0.259 297 I C 1.748 177.878 176.117 0.021 0.000 1.172 297 I CA 0.906 62.216 61.300 0.016 0.000 1.478 297 I CB -0.702 37.307 38.000 0.014 0.000 1.104 297 I HN -0.152 nan 8.210 nan 0.000 0.439 298 V N 1.751 121.676 119.914 0.018 0.000 3.611 298 V HA -0.040 4.080 4.120 -0.000 0.000 0.281 298 V C 0.406 176.518 176.094 0.030 0.000 1.247 298 V CA 0.498 62.812 62.300 0.024 0.000 1.198 298 V CB -1.414 30.420 31.823 0.017 0.000 0.977 298 V HN 0.380 nan 8.190 nan 0.000 0.445 299 D N 0.000 120.417 120.400 0.028 0.000 6.856 299 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 299 D CA 0.000 54.018 54.000 0.030 0.000 0.868 299 D CB 0.000 40.810 40.800 0.017 0.000 0.688 299 D HN 0.000 nan 8.370 nan 0.000 0.683