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 1h5i_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 1 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 2 L N 1.301 122.498 121.223 -0.044 0.000 2.426 2 L HA 0.576 5.556 4.340 1.066 0.000 0.271 2 L C 0.677 177.533 176.870 -0.023 0.000 1.169 2 L CA 0.179 54.976 54.840 -0.071 0.000 0.836 2 L CB 0.898 42.915 42.059 -0.070 0.000 1.112 2 L HN 0.618 nan 8.230 nan 0.000 0.465 3 T N 2.061 116.608 114.554 -0.011 0.000 2.952 3 T HA 0.388 5.378 4.350 1.066 0.000 0.305 3 T C -2.243 172.480 174.700 0.039 0.000 1.064 3 T CA -1.555 60.563 62.100 0.031 0.000 1.008 3 T CB 2.052 70.956 68.868 0.059 0.000 1.078 3 T HN 0.232 nan 8.240 nan 0.000 0.459 4 P HA -0.001 nan 4.420 nan 0.000 0.222 4 P C 1.167 178.496 177.300 0.049 0.000 1.147 4 P CA 0.973 64.097 63.100 0.040 0.000 0.790 4 P CB 0.030 31.755 31.700 0.041 0.000 0.780 5 T N -5.674 108.907 114.554 0.045 0.000 3.144 5 T HA 0.081 5.071 4.350 1.066 0.000 0.249 5 T C 1.345 176.046 174.700 0.003 0.000 1.089 5 T CA -0.354 61.763 62.100 0.028 0.000 0.989 5 T CB -1.280 67.592 68.868 0.008 0.000 0.992 5 T HN -0.117 nan 8.240 nan 0.000 0.540 6 F N 2.104 121.949 119.950 -0.176 0.000 2.147 6 F HA -0.136 5.031 4.527 1.067 0.000 0.301 6 F C 0.939 176.495 175.800 -0.406 0.000 1.084 6 F CA 1.294 59.082 58.000 -0.354 0.000 1.268 6 F CB -0.185 38.466 39.000 -0.581 0.000 1.009 6 F HN 0.278 nan 8.300 nan 0.000 0.486 7 Y N -0.733 119.598 120.300 0.052 0.000 2.555 7 Y HA 0.159 5.348 4.550 1.065 0.000 0.259 7 Y C 1.469 177.342 175.900 -0.045 0.000 1.179 7 Y CA -0.632 57.451 58.100 -0.028 0.000 1.230 7 Y CB -0.719 37.777 38.460 0.060 0.000 1.146 7 Y HN -0.047 nan 8.280 nan 0.000 0.526 8 D N -0.017 120.412 120.400 0.049 0.000 2.309 8 D HA -0.138 5.141 4.640 1.066 0.000 0.212 8 D C 1.311 177.613 176.300 0.004 0.000 0.968 8 D CA 1.129 55.145 54.000 0.026 0.000 0.882 8 D CB 0.190 40.992 40.800 0.003 0.000 0.918 8 D HN 0.355 nan 8.370 nan 0.000 0.503 9 N N -0.889 117.799 118.700 -0.020 0.000 2.545 9 N HA -0.036 5.343 4.740 1.066 0.000 0.190 9 N C 1.735 177.238 175.510 -0.012 0.000 1.043 9 N CA 0.709 53.742 53.050 -0.027 0.000 0.879 9 N CB 0.062 38.515 38.487 -0.057 0.000 1.210 9 N HN 0.091 nan 8.380 nan 0.000 0.437 10 S N -1.005 114.694 115.700 -0.002 0.000 2.436 10 S HA 0.051 5.160 4.470 1.066 0.000 0.228 10 S C 1.193 175.821 174.600 0.046 0.000 1.014 10 S CA 0.099 58.315 58.200 0.027 0.000 0.950 10 S CB -0.046 63.183 63.200 0.047 0.000 0.784 10 S HN 0.299 nan 8.310 nan 0.000 0.504 11 c N 2.685 121.327 118.600 0.070 0.000 3.079 11 c HA 0.416 5.626 4.570 1.066 0.000 0.246 11 c C -1.964 172.143 174.090 0.028 0.000 1.025 11 c CA -1.111 55.226 56.329 0.013 0.000 1.081 11 c CB 0.801 43.263 42.510 -0.080 0.000 1.757 11 c HN 0.335 nan 8.230 nan 0.000 0.646 12 P HA -0.128 nan 4.420 nan 0.000 0.221 12 P C 0.685 177.986 177.300 0.003 0.000 1.145 12 P CA 1.599 64.712 63.100 0.022 0.000 0.795 12 P CB 0.004 31.710 31.700 0.010 0.000 0.775 13 N N -0.603 118.088 118.700 -0.015 0.000 2.336 13 N HA 0.005 5.385 4.740 1.066 0.000 0.189 13 N C 1.700 177.183 175.510 -0.044 0.000 1.113 13 N CA -0.327 52.707 53.050 -0.027 0.000 0.858 13 N CB 0.046 38.517 38.487 -0.027 0.000 0.970 13 N HN -0.059 nan 8.380 nan 0.000 0.471 14 V N 0.586 120.465 119.914 -0.059 0.000 2.252 14 V HA -0.308 4.452 4.120 1.066 0.000 0.249 14 V C 2.359 178.406 176.094 -0.078 0.000 1.056 14 V CA 2.091 64.334 62.300 -0.095 0.000 1.022 14 V CB -0.427 31.296 31.823 -0.167 0.000 0.641 14 V HN 0.282 nan 8.190 nan 0.000 0.445 15 S N -0.103 115.561 115.700 -0.060 0.000 2.370 15 S HA -0.214 4.895 4.470 1.066 0.000 0.226 15 S C 1.827 176.386 174.600 -0.069 0.000 1.033 15 S CA 1.947 60.104 58.200 -0.072 0.000 1.011 15 S CB -0.603 62.555 63.200 -0.070 0.000 0.852 15 S HN 0.791 nan 8.310 nan 0.000 0.457 16 N N 1.116 119.784 118.700 -0.053 0.000 2.188 16 N HA 0.022 5.402 4.740 1.066 0.000 0.184 16 N C 1.785 177.268 175.510 -0.045 0.000 1.018 16 N CA 1.306 54.328 53.050 -0.046 0.000 0.858 16 N CB -0.374 38.093 38.487 -0.034 0.000 0.989 16 N HN 0.474 nan 8.380 nan 0.000 0.426 17 I N 0.619 121.159 120.570 -0.049 0.000 2.252 17 I HA -0.185 4.625 4.170 1.066 0.000 0.245 17 I C 2.146 178.233 176.117 -0.050 0.000 1.102 17 I CA 0.674 61.946 61.300 -0.047 0.000 1.385 17 I CB -0.203 37.766 38.000 -0.052 0.000 1.064 17 I HN -0.114 nan 8.210 nan 0.000 0.414 18 V N 0.963 120.840 119.914 -0.062 0.000 2.295 18 V HA -0.286 4.473 4.120 1.066 0.000 0.246 18 V C 2.663 178.720 176.094 -0.061 0.000 1.049 18 V CA 2.010 64.271 62.300 -0.066 0.000 1.024 18 V CB -0.763 31.010 31.823 -0.085 0.000 0.648 18 V HN 0.422 nan 8.190 nan 0.000 0.447 19 R N 0.114 120.576 120.500 -0.063 0.000 2.083 19 R HA -0.216 4.763 4.340 1.066 0.000 0.237 19 R C 2.065 178.341 176.300 -0.040 0.000 1.137 19 R CA 2.294 58.361 56.100 -0.056 0.000 0.951 19 R CB -0.459 29.807 30.300 -0.057 0.000 0.851 19 R HN 0.480 nan 8.270 nan 0.000 0.434 20 D N -0.396 119.983 120.400 -0.035 0.000 2.123 20 D HA -0.136 5.143 4.640 1.066 0.000 0.196 20 D C 1.778 178.064 176.300 -0.024 0.000 0.992 20 D CA 1.885 55.869 54.000 -0.026 0.000 0.833 20 D CB -0.423 40.362 40.800 -0.024 0.000 0.954 20 D HN 0.306 nan 8.370 nan 0.000 0.455 21 T N 0.739 115.277 114.554 -0.028 0.000 2.708 21 T HA -0.076 4.914 4.350 1.066 0.000 0.266 21 T C 2.198 176.884 174.700 -0.023 0.000 1.037 21 T CA 0.670 62.756 62.100 -0.025 0.000 1.146 21 T CB -0.185 68.667 68.868 -0.028 0.000 0.865 21 T HN 0.183 nan 8.240 nan 0.000 0.435 22 I N 0.833 121.386 120.570 -0.028 0.000 2.252 22 I HA -0.130 4.680 4.170 1.066 0.000 0.245 22 I C 2.467 178.575 176.117 -0.016 0.000 1.102 22 I CA 0.773 62.057 61.300 -0.026 0.000 1.385 22 I CB -0.543 37.438 38.000 -0.032 0.000 1.064 22 I HN 0.085 nan 8.210 nan 0.000 0.414 23 V N 1.423 121.328 119.914 -0.015 0.000 2.287 23 V HA -0.291 4.469 4.120 1.066 0.000 0.248 23 V C 2.236 178.327 176.094 -0.005 0.000 1.053 23 V CA 1.992 64.287 62.300 -0.007 0.000 1.027 23 V CB -0.863 30.955 31.823 -0.008 0.000 0.646 23 V HN 0.469 nan 8.190 nan 0.000 0.447 24 N N 0.051 118.747 118.700 -0.008 0.000 2.084 24 N HA -0.202 5.178 4.740 1.066 0.000 0.190 24 N C 1.964 177.471 175.510 -0.005 0.000 1.030 24 N CA 1.663 54.709 53.050 -0.006 0.000 0.849 24 N CB -0.303 38.179 38.487 -0.007 0.000 1.012 24 N HN 0.527 nan 8.380 nan 0.000 0.423 25 E N 1.368 121.563 120.200 -0.008 0.000 2.110 25 E HA -0.012 4.978 4.350 1.066 0.000 0.193 25 E C 2.078 178.674 176.600 -0.007 0.000 0.988 25 E CA 0.589 56.983 56.400 -0.009 0.000 0.804 25 E CB -0.394 29.297 29.700 -0.016 0.000 0.745 25 E HN 0.298 nan 8.360 nan 0.000 0.458 26 L N 0.094 121.313 121.223 -0.005 0.000 2.187 26 L HA -0.181 4.798 4.340 1.066 0.000 0.213 26 L C 2.543 179.416 176.870 0.005 0.000 1.100 26 L CA 1.166 56.007 54.840 0.001 0.000 0.765 26 L CB -0.279 41.786 42.059 0.009 0.000 0.904 26 L HN 0.127 nan 8.230 nan 0.000 0.437 27 R N -0.459 120.044 120.500 0.005 0.000 2.081 27 R HA -0.131 4.848 4.340 1.066 0.000 0.235 27 R C 2.451 178.755 176.300 0.006 0.000 1.131 27 R CA 1.816 57.920 56.100 0.007 0.000 0.960 27 R CB -0.325 29.978 30.300 0.006 0.000 0.856 27 R HN 0.476 nan 8.270 nan 0.000 0.436 28 S N -0.647 115.055 115.700 0.003 0.000 2.486 28 S HA -0.023 5.087 4.470 1.066 0.000 0.220 28 S C 0.284 174.885 174.600 0.001 0.000 1.011 28 S CA 0.039 58.240 58.200 0.003 0.000 0.921 28 S CB 0.440 63.642 63.200 0.002 0.000 0.785 28 S HN 0.106 nan 8.310 nan 0.000 0.517 29 D N 1.853 122.251 120.400 -0.002 0.000 2.346 29 D HA 0.346 5.626 4.640 1.066 0.000 0.255 29 D C -2.268 174.025 176.300 -0.011 0.000 1.276 29 D CA -2.110 51.885 54.000 -0.007 0.000 0.941 29 D CB 1.825 42.617 40.800 -0.014 0.000 1.199 29 D HN -0.030 nan 8.370 nan 0.000 0.537 30 P HA -0.079 nan 4.420 nan 0.000 0.239 30 P C 1.019 178.309 177.300 -0.018 0.000 1.184 30 P CA 0.317 63.419 63.100 0.003 0.000 0.760 30 P CB 0.367 32.078 31.700 0.018 0.000 0.884 31 R N -0.505 119.971 120.500 -0.040 0.000 2.290 31 R HA 0.096 5.075 4.340 1.066 0.000 0.197 31 R C 2.006 178.230 176.300 -0.127 0.000 0.913 31 R CA -0.142 55.907 56.100 -0.085 0.000 1.040 31 R CB -0.463 29.803 30.300 -0.057 0.000 0.992 31 R HN -0.050 nan 8.270 nan 0.000 0.500 32 I N 1.435 121.951 120.570 -0.088 0.000 2.335 32 I HA -0.212 4.597 4.170 1.066 0.000 0.251 32 I C 1.978 178.027 176.117 -0.114 0.000 1.129 32 I CA 1.484 62.728 61.300 -0.093 0.000 1.402 32 I CB -0.214 37.751 38.000 -0.059 0.000 1.069 32 I HN 0.250 nan 8.210 nan 0.000 0.424 33 A N 0.242 122.996 122.820 -0.110 0.000 1.877 33 A HA -0.097 4.863 4.320 1.066 0.000 0.216 33 A C 2.518 179.975 177.584 -0.211 0.000 1.186 33 A CA 1.859 53.851 52.037 -0.075 0.000 0.620 33 A CB -1.305 17.728 19.000 0.055 0.000 0.822 33 A HN 0.504 nan 8.150 nan 0.000 0.443 34 A N -0.462 122.002 122.820 -0.594 0.000 1.877 34 A HA -0.082 4.877 4.320 1.066 0.000 0.216 34 A C 2.447 179.839 177.584 -0.320 0.000 1.186 34 A CA 2.132 53.632 52.037 -0.895 0.000 0.620 34 A CB -0.962 17.402 19.000 -1.061 0.000 0.822 34 A HN 0.464 nan 8.150 nan 0.000 0.443 35 S N -0.113 115.447 115.700 -0.233 0.000 2.370 35 S HA -0.134 4.975 4.470 1.066 0.000 0.226 35 S C 1.795 176.312 174.600 -0.138 0.000 1.033 35 S CA 1.571 59.674 58.200 -0.161 0.000 1.011 35 S CB -0.500 62.608 63.200 -0.154 0.000 0.852 35 S HN 0.539 nan 8.310 nan 0.000 0.457 36 I N 0.902 121.405 120.570 -0.111 0.000 2.315 36 I HA -0.148 4.662 4.170 1.066 0.000 0.248 36 I C 2.294 178.419 176.117 0.012 0.000 1.117 36 I CA 0.697 61.956 61.300 -0.068 0.000 1.404 36 I CB -0.291 37.675 38.000 -0.056 0.000 1.071 36 I HN 0.241 nan 8.210 nan 0.000 0.419 37 L N 1.043 122.303 121.223 0.061 0.000 2.046 37 L HA -0.199 4.781 4.340 1.066 0.000 0.208 37 L C 2.581 179.564 176.870 0.189 0.000 1.077 37 L CA 1.811 56.760 54.840 0.181 0.000 0.747 37 L CB -0.709 41.537 42.059 0.313 0.000 0.896 37 L HN 0.088 nan 8.230 nan 0.000 0.432 38 R N -0.730 119.822 120.500 0.087 0.000 2.092 38 R HA -0.112 4.868 4.340 1.066 0.000 0.231 38 R C 2.281 178.558 176.300 -0.038 0.000 1.119 38 R CA 1.497 57.620 56.100 0.039 0.000 0.970 38 R CB -0.276 29.974 30.300 -0.084 0.000 0.864 38 R HN 0.460 nan 8.270 nan 0.000 0.440 39 L N -0.577 120.624 121.223 -0.035 0.000 2.083 39 L HA -0.215 4.765 4.340 1.066 0.000 0.209 39 L C 2.517 179.454 176.870 0.112 0.000 1.083 39 L CA 1.560 56.391 54.840 -0.015 0.000 0.752 39 L CB -0.595 41.417 42.059 -0.077 0.000 0.899 39 L HN 0.345 nan 8.230 nan 0.000 0.433 40 H N -0.208 118.899 119.070 0.061 0.000 2.357 40 H HA -0.248 4.948 4.556 1.067 0.000 0.301 40 H C 1.922 177.353 175.328 0.171 0.000 1.082 40 H CA 1.760 57.869 56.048 0.102 0.000 1.342 40 H CB -0.200 29.620 29.762 0.096 0.000 1.389 40 H HN 0.273 nan 8.280 nan 0.000 0.511 41 F N 0.738 120.661 119.950 -0.046 0.000 2.075 41 F HA -0.180 4.980 4.527 1.056 0.000 0.297 41 F C 2.138 177.946 175.800 0.013 0.000 1.113 41 F CA 2.196 60.133 58.000 -0.106 0.000 1.218 41 F CB -1.105 37.823 39.000 -0.119 0.000 0.984 41 F HN 0.348 nan 8.300 nan 0.000 0.472 42 H N -1.391 117.383 119.070 -0.494 0.000 2.521 42 H HA -0.120 5.073 4.556 1.061 0.000 0.286 42 H C 1.594 176.801 175.328 -0.201 0.000 1.034 42 H CA 0.740 56.474 56.048 -0.524 0.000 1.278 42 H CB 0.002 29.571 29.762 -0.322 0.000 1.386 42 H HN 0.367 nan 8.280 nan 0.000 0.567 43 D N 0.245 120.660 120.400 0.025 0.000 2.110 43 D HA -0.105 5.175 4.640 1.066 0.000 0.202 43 D C 2.152 178.451 176.300 -0.002 0.000 0.975 43 D CA 0.776 54.801 54.000 0.043 0.000 0.839 43 D CB -0.441 40.412 40.800 0.090 0.000 0.996 43 D HN 0.220 nan 8.370 nan 0.000 0.464 44 c N -0.130 118.444 118.600 -0.043 0.000 2.422 44 c HA -0.037 5.172 4.570 1.066 0.000 0.279 44 c C 2.291 176.394 174.090 0.021 0.000 1.305 44 c CA 0.124 56.433 56.329 -0.033 0.000 1.757 44 c CB -1.537 40.920 42.510 -0.088 0.000 1.962 44 c HN 0.274 nan 8.230 nan 0.000 0.499 45 F N 0.462 120.286 119.950 -0.211 0.000 2.802 45 F HA 0.147 5.314 4.527 1.068 0.000 0.300 45 F C 0.754 176.431 175.800 -0.205 0.000 1.168 45 F CA 0.655 58.520 58.000 -0.226 0.000 1.433 45 F CB -0.012 38.792 39.000 -0.327 0.000 1.115 45 F HN -0.049 nan 8.300 nan 0.000 0.582 46 V N 0.387 120.267 119.914 -0.056 0.000 2.340 46 V HA 0.227 4.987 4.120 1.066 0.000 0.277 46 V C 0.223 176.197 176.094 -0.201 0.000 1.017 46 V CA -0.955 61.278 62.300 -0.110 0.000 0.820 46 V CB 0.892 32.692 31.823 -0.038 0.000 1.028 46 V HN 0.296 nan 8.190 nan 0.000 0.436 47 N N 3.489 121.991 118.700 -0.330 0.000 2.753 47 N HA -0.156 5.224 4.740 1.066 0.000 0.251 47 N C 0.363 175.728 175.510 -0.241 0.000 1.097 47 N CA 1.966 54.755 53.050 -0.436 0.000 0.786 47 N CB -0.767 37.183 38.487 -0.894 0.000 1.137 47 N HN 1.825 nan 8.380 nan 0.000 0.566 48 G N -1.977 106.718 108.800 -0.174 0.000 2.756 48 G HA2 -0.224 4.375 3.960 1.066 0.000 0.678 48 G HA3 -0.224 4.375 3.960 1.066 0.000 0.678 48 G C -0.008 174.856 174.900 -0.060 0.000 1.349 48 G CA -0.410 44.621 45.100 -0.116 0.000 0.847 48 G HN 0.865 nan 8.290 nan 0.000 0.548 49 c N 1.395 119.975 118.600 -0.033 0.000 2.305 49 c HA 0.487 5.696 4.570 1.066 0.000 0.378 49 c C 0.893 175.005 174.090 0.036 0.000 1.047 49 c CA 0.159 56.498 56.329 0.018 0.000 1.385 49 c CB -1.249 41.299 42.510 0.062 0.000 1.825 49 c HN 0.794 nan 8.230 nan 0.000 0.508 50 D N 0.588 121.014 120.400 0.042 0.000 2.563 50 D HA 0.250 5.530 4.640 1.066 0.000 0.237 50 D C 1.063 177.406 176.300 0.071 0.000 1.282 50 D CA 0.235 54.264 54.000 0.050 0.000 0.816 50 D CB -0.257 40.571 40.800 0.048 0.000 1.066 50 D HN 0.592 nan 8.370 nan 0.000 0.501 51 A N 0.747 123.618 122.820 0.086 0.000 2.816 51 A HA -0.295 4.664 4.320 1.066 0.000 0.270 51 A C 1.891 179.528 177.584 0.088 0.000 1.413 51 A CA 1.457 53.552 52.037 0.095 0.000 0.866 51 A CB -2.589 16.461 19.000 0.082 0.000 1.032 51 A HN 0.789 nan 8.150 nan 0.000 0.642 52 S N -0.635 115.122 115.700 0.096 0.000 2.399 52 S HA -0.086 5.023 4.470 1.066 0.000 0.231 52 S C 1.724 176.365 174.600 0.069 0.000 1.022 52 S CA 1.227 59.478 58.200 0.084 0.000 0.983 52 S CB -0.510 62.822 63.200 0.220 0.000 0.803 52 S HN 1.243 nan 8.310 nan 0.000 0.480 53 I N 0.909 121.544 120.570 0.108 0.000 2.614 53 I HA -0.026 4.783 4.170 1.066 0.000 0.258 53 I C 1.675 177.866 176.117 0.124 0.000 1.189 53 I CA 1.001 62.378 61.300 0.129 0.000 1.462 53 I CB -0.059 38.055 38.000 0.190 0.000 1.092 53 I HN 0.316 nan 8.210 nan 0.000 0.442 54 L N 0.525 121.822 121.223 0.125 0.000 2.492 54 L HA 0.043 5.022 4.340 1.066 0.000 0.223 54 L C 0.797 177.664 176.870 -0.005 0.000 1.132 54 L CA 0.010 54.909 54.840 0.099 0.000 0.850 54 L CB -0.381 41.764 42.059 0.143 0.000 0.966 54 L HN 0.128 nan 8.230 nan 0.000 0.454 55 L N 0.565 121.797 121.223 0.014 0.000 2.416 55 L HA 0.079 5.058 4.340 1.066 0.000 0.272 55 L C 0.111 176.988 176.870 0.012 0.000 1.161 55 L CA -0.025 54.841 54.840 0.043 0.000 0.845 55 L CB 0.363 42.487 42.059 0.108 0.000 1.119 55 L HN 0.047 nan 8.230 nan 0.000 0.464 56 D N 1.324 121.723 120.400 -0.002 0.000 2.432 56 D HA 0.157 5.436 4.640 1.066 0.000 0.258 56 D C 0.084 176.365 176.300 -0.032 0.000 1.146 56 D CA -0.482 53.486 54.000 -0.053 0.000 1.015 56 D CB 0.598 41.349 40.800 -0.081 0.000 1.107 56 D HN 0.366 nan 8.370 nan 0.000 0.529 57 N N -0.137 118.513 118.700 -0.083 0.000 2.395 57 N HA 0.059 5.438 4.740 1.066 0.000 0.246 57 N C -0.062 175.285 175.510 -0.272 0.000 1.246 57 N CA 0.592 53.556 53.050 -0.142 0.000 0.879 57 N CB 0.465 38.885 38.487 -0.113 0.000 1.098 57 N HN 0.426 nan 8.380 nan 0.000 0.444 58 T N -3.522 110.764 114.554 -0.447 0.000 2.841 58 T HA 0.297 5.286 4.350 1.066 0.000 0.296 58 T C 1.035 175.510 174.700 -0.375 0.000 1.166 58 T CA -0.543 61.256 62.100 -0.501 0.000 1.007 58 T CB 0.882 69.218 68.868 -0.887 0.000 1.253 58 T HN 0.415 nan 8.240 nan 0.000 0.511 59 T N -1.271 113.121 114.554 -0.269 0.000 3.118 59 T HA 0.037 5.026 4.350 1.066 0.000 0.260 59 T C 1.802 176.407 174.700 -0.158 0.000 1.139 59 T CA 1.069 63.065 62.100 -0.173 0.000 1.085 59 T CB -0.590 68.208 68.868 -0.118 0.000 0.934 59 T HN 0.792 nan 8.240 nan 0.000 0.518 60 S N 0.652 116.214 115.700 -0.230 0.000 2.497 60 S HA 0.364 5.473 4.470 1.066 0.000 0.221 60 S C 0.213 174.804 174.600 -0.016 0.000 1.037 60 S CA -0.822 57.311 58.200 -0.112 0.000 0.920 60 S CB -0.427 62.735 63.200 -0.064 0.000 0.800 60 S HN 0.690 nan 8.310 nan 0.000 0.505 61 F N 0.285 120.187 119.950 -0.079 0.000 2.608 61 F HA 0.818 5.984 4.527 1.064 0.000 0.309 61 F C -0.672 175.071 175.800 -0.095 0.000 1.103 61 F CA -1.603 56.337 58.000 -0.099 0.000 0.954 61 F CB 0.912 39.820 39.000 -0.154 0.000 1.267 61 F HN -0.302 nan 8.300 nan 0.000 0.444 62 R N 1.134 121.748 120.500 0.190 0.000 2.531 62 R HA 0.366 5.345 4.340 1.066 0.000 0.273 62 R C -0.040 176.355 176.300 0.158 0.000 1.070 62 R CA -0.583 55.574 56.100 0.096 0.000 1.112 62 R CB 1.293 31.613 30.300 0.032 0.000 1.049 62 R HN 0.935 nan 8.270 nan 0.000 0.508 63 T N 0.179 114.777 114.554 0.073 0.000 2.913 63 T HA 0.057 5.047 4.350 1.066 0.000 0.297 63 T C 0.986 175.689 174.700 0.005 0.000 1.029 63 T CA -0.222 61.908 62.100 0.049 0.000 1.104 63 T CB 0.475 69.331 68.868 -0.021 0.000 0.964 63 T HN 0.472 nan 8.240 nan 0.000 0.532 64 E N 2.064 122.267 120.200 0.004 0.000 2.418 64 E HA -0.047 4.943 4.350 1.066 0.000 0.197 64 E C 1.798 178.401 176.600 0.005 0.000 1.026 64 E CA 0.563 56.969 56.400 0.009 0.000 0.862 64 E CB 0.167 29.890 29.700 0.040 0.000 0.799 64 E HN 0.638 nan 8.360 nan 0.000 0.518 65 K N 0.638 121.023 120.400 -0.025 0.000 2.362 65 K HA -0.094 4.866 4.320 1.066 0.000 0.200 65 K C 0.700 177.294 176.600 -0.009 0.000 1.046 65 K CA 0.722 56.997 56.287 -0.020 0.000 0.952 65 K CB 0.206 32.612 32.500 -0.156 0.000 0.753 65 K HN 0.028 nan 8.250 nan 0.000 0.466 66 D N 0.460 120.832 120.400 -0.047 0.000 2.388 66 D HA 0.103 5.383 4.640 1.066 0.000 0.221 66 D C -0.114 176.081 176.300 -0.176 0.000 1.133 66 D CA 0.075 54.023 54.000 -0.085 0.000 0.831 66 D CB 0.341 41.087 40.800 -0.091 0.000 0.962 66 D HN 0.123 nan 8.370 nan 0.000 0.502 67 A N -0.258 122.486 122.820 -0.127 0.000 2.332 67 A HA 0.239 5.198 4.320 1.066 0.000 0.258 67 A C 0.802 178.294 177.584 -0.155 0.000 1.087 67 A CA -0.344 51.582 52.037 -0.186 0.000 0.802 67 A CB 0.171 19.136 19.000 -0.060 0.000 1.042 67 A HN -0.002 nan 8.150 nan 0.000 0.489 68 F N 1.335 121.331 119.950 0.077 0.000 2.202 68 F HA -0.064 5.127 4.527 1.107 0.000 0.301 68 F C 2.395 178.264 175.800 0.116 0.000 1.082 68 F CA 1.968 60.035 58.000 0.112 0.000 1.313 68 F CB -0.550 38.529 39.000 0.131 0.000 1.024 68 F HN 0.622 nan 8.300 nan 0.000 0.495 69 G N -1.251 107.665 108.800 0.195 0.000 2.813 69 G HA2 -0.094 4.505 3.960 1.066 0.000 0.209 69 G HA3 -0.094 4.505 3.960 1.066 0.000 0.209 69 G C 1.463 176.477 174.900 0.189 0.000 1.150 69 G CA 0.326 45.492 45.100 0.111 0.000 0.785 69 G HN 0.238 nan 8.290 nan 0.000 0.535 70 N N 0.430 119.227 118.700 0.162 0.000 2.516 70 N HA 0.138 5.517 4.740 1.066 0.000 0.197 70 N C 1.215 176.841 175.510 0.192 0.000 1.064 70 N CA 0.292 53.471 53.050 0.215 0.000 0.866 70 N CB 0.131 38.734 38.487 0.194 0.000 1.255 70 N HN 0.179 nan 8.380 nan 0.000 0.447 71 A N 1.851 124.753 122.820 0.137 0.000 2.566 71 A HA 0.057 5.016 4.320 1.066 0.000 0.245 71 A C 0.782 178.459 177.584 0.155 0.000 1.056 71 A CA 0.199 52.306 52.037 0.117 0.000 0.757 71 A CB -0.493 18.543 19.000 0.060 0.000 0.979 71 A HN 0.480 nan 8.150 nan 0.000 0.508 72 N N 0.477 119.259 118.700 0.136 0.000 2.721 72 N HA -0.189 5.190 4.740 1.066 0.000 0.249 72 N C 0.342 175.950 175.510 0.162 0.000 1.072 72 N CA 1.681 54.809 53.050 0.130 0.000 0.710 72 N CB -1.033 37.518 38.487 0.106 0.000 0.993 72 N HN 0.786 nan 8.380 nan 0.000 0.547 73 S N -2.239 113.570 115.700 0.181 0.000 4.193 73 S HA 0.527 5.637 4.470 1.066 0.000 0.211 73 S C 0.040 174.722 174.600 0.137 0.000 1.162 73 S CA 0.473 58.788 58.200 0.191 0.000 1.039 73 S CB -0.449 62.904 63.200 0.256 0.000 1.371 73 S HN 0.681 nan 8.310 nan 0.000 0.550 74 A N 3.221 126.137 122.820 0.159 0.000 2.498 74 A HA 0.582 5.542 4.320 1.066 0.000 0.239 74 A C 0.325 177.921 177.584 0.020 0.000 1.068 74 A CA 0.078 52.164 52.037 0.082 0.000 0.766 74 A CB -0.137 19.002 19.000 0.231 0.000 1.003 74 A HN 0.732 nan 8.150 nan 0.000 0.497 75 R N 0.411 120.773 120.500 -0.231 0.000 2.766 75 R HA 0.717 5.697 4.340 1.066 0.000 0.270 75 R C 0.414 176.438 176.300 -0.461 0.000 1.035 75 R CA -0.401 55.547 56.100 -0.254 0.000 0.911 75 R CB 0.565 30.821 30.300 -0.073 0.000 1.243 75 R HN 2.023 nan 8.270 nan 0.000 0.460 76 G N -0.274 108.354 108.800 -0.287 0.000 2.176 76 G HA2 -0.259 4.340 3.960 1.066 0.000 0.232 76 G HA3 -0.259 4.340 3.960 1.066 0.000 0.232 76 G C 0.194 174.976 174.900 -0.198 0.000 0.986 76 G CA 0.240 45.203 45.100 -0.228 0.000 0.643 76 G HN 0.451 nan 8.290 nan 0.000 0.522 77 F N 1.324 121.283 119.950 0.015 0.000 2.161 77 F HA 0.047 5.210 4.527 1.060 0.000 0.300 77 F C 0.626 176.432 175.800 0.010 0.000 1.089 77 F CA 1.900 59.910 58.000 0.016 0.000 1.282 77 F CB -1.447 37.565 39.000 0.021 0.000 1.010 77 F HN 0.252 nan 8.300 nan 0.000 0.485 78 P HA -0.096 nan 4.420 nan 0.000 0.219 78 P C 1.891 179.223 177.300 0.054 0.000 1.150 78 P CA 1.101 64.260 63.100 0.097 0.000 0.814 78 P CB 0.030 31.775 31.700 0.074 0.000 0.787 79 V N -0.167 119.765 119.914 0.029 0.000 2.427 79 V HA -0.196 4.563 4.120 1.066 0.000 0.248 79 V C 2.266 178.364 176.094 0.007 0.000 1.051 79 V CA 1.424 63.726 62.300 0.004 0.000 1.048 79 V CB -1.016 30.793 31.823 -0.023 0.000 0.666 79 V HN 0.056 nan 8.190 nan 0.000 0.456 80 I N 0.218 120.801 120.570 0.022 0.000 2.252 80 I HA -0.170 4.639 4.170 1.066 0.000 0.245 80 I C 2.296 178.436 176.117 0.038 0.000 1.102 80 I CA 1.493 62.811 61.300 0.030 0.000 1.385 80 I CB -1.259 36.780 38.000 0.066 0.000 1.064 80 I HN 0.347 nan 8.210 nan 0.000 0.414 81 D N 0.511 120.945 120.400 0.056 0.000 2.123 81 D HA -0.206 5.074 4.640 1.066 0.000 0.196 81 D C 2.268 178.581 176.300 0.022 0.000 0.992 81 D CA 1.033 55.059 54.000 0.044 0.000 0.833 81 D CB -0.192 40.639 40.800 0.051 0.000 0.954 81 D HN 0.304 nan 8.370 nan 0.000 0.455 82 R N 0.561 121.071 120.500 0.017 0.000 2.073 82 R HA -0.121 4.858 4.340 1.066 0.000 0.234 82 R C 2.592 178.889 176.300 -0.005 0.000 1.134 82 R CA 1.595 57.698 56.100 0.005 0.000 0.952 82 R CB -0.154 30.148 30.300 0.003 0.000 0.850 82 R HN 0.232 nan 8.270 nan 0.000 0.433 83 M N -0.291 119.303 119.600 -0.009 0.000 2.175 83 M HA -0.043 5.077 4.480 1.066 0.000 0.264 83 M C 2.027 178.312 176.300 -0.025 0.000 1.063 83 M CA 1.704 56.991 55.300 -0.022 0.000 1.119 83 M CB -0.304 32.277 32.600 -0.030 0.000 1.377 83 M HN -0.144 nan 8.290 nan 0.000 0.415 84 K N 1.569 121.961 120.400 -0.014 0.000 2.057 84 K HA -0.000 4.959 4.320 1.066 0.000 0.207 84 K C 2.048 178.638 176.600 -0.017 0.000 1.049 84 K CA 2.107 58.384 56.287 -0.015 0.000 0.931 84 K CB -0.760 31.741 32.500 0.003 0.000 0.714 84 K HN 0.434 nan 8.250 nan 0.000 0.440 85 A N 0.505 123.320 122.820 -0.009 0.000 1.902 85 A HA -0.038 4.921 4.320 1.066 0.000 0.217 85 A C 2.388 179.962 177.584 -0.016 0.000 1.181 85 A CA 2.070 54.102 52.037 -0.009 0.000 0.623 85 A CB -1.072 17.926 19.000 -0.003 0.000 0.818 85 A HN 0.452 nan 8.150 nan 0.000 0.443 86 A N -0.672 122.137 122.820 -0.020 0.000 1.898 86 A HA 0.029 4.988 4.320 1.066 0.000 0.216 86 A C 2.202 179.766 177.584 -0.034 0.000 1.181 86 A CA 1.742 53.764 52.037 -0.024 0.000 0.620 86 A CB -0.809 18.175 19.000 -0.025 0.000 0.819 86 A HN 0.387 nan 8.150 nan 0.000 0.442 87 V N 0.107 119.995 119.914 -0.044 0.000 2.453 87 V HA -0.156 4.603 4.120 1.066 0.000 0.247 87 V C 2.481 178.542 176.094 -0.055 0.000 1.048 87 V CA 1.861 64.123 62.300 -0.063 0.000 1.049 87 V CB -0.643 31.127 31.823 -0.089 0.000 0.672 87 V HN 0.473 nan 8.190 nan 0.000 0.457 88 E N -0.024 120.152 120.200 -0.039 0.000 2.153 88 E HA -0.170 4.819 4.350 1.066 0.000 0.194 88 E C 2.492 179.078 176.600 -0.023 0.000 0.988 88 E CA 1.501 57.885 56.400 -0.028 0.000 0.811 88 E CB -0.346 29.345 29.700 -0.016 0.000 0.746 88 E HN 0.552 nan 8.360 nan 0.000 0.466 89 S N 0.197 115.884 115.700 -0.022 0.000 2.355 89 S HA -0.080 5.029 4.470 1.066 0.000 0.222 89 S C 2.022 176.610 174.600 -0.020 0.000 1.031 89 S CA 1.260 59.449 58.200 -0.018 0.000 0.993 89 S CB 0.003 63.193 63.200 -0.016 0.000 0.859 89 S HN 0.284 nan 8.310 nan 0.000 0.453 90 A N -0.414 122.390 122.820 -0.027 0.000 1.929 90 A HA 0.140 5.099 4.320 1.066 0.000 0.216 90 A C 1.110 178.677 177.584 -0.029 0.000 1.176 90 A CA 1.015 53.035 52.037 -0.028 0.000 0.628 90 A CB -0.421 18.557 19.000 -0.035 0.000 0.816 90 A HN 0.627 nan 8.150 nan 0.000 0.444 91 c N -0.141 118.437 118.600 -0.037 0.000 3.287 91 c HA 0.415 5.624 4.570 1.066 0.000 0.260 91 c C -2.922 171.151 174.090 -0.027 0.000 1.133 91 c CA -1.629 54.680 56.329 -0.034 0.000 1.402 91 c CB 0.302 42.779 42.510 -0.054 0.000 1.832 91 c HN 0.236 nan 8.230 nan 0.000 0.509 92 P HA 0.085 nan 4.420 nan 0.000 0.262 92 P C 0.347 177.649 177.300 0.005 0.000 1.182 92 P CA 0.711 63.808 63.100 -0.006 0.000 0.761 92 P CB 0.275 31.974 31.700 -0.002 0.000 0.795 93 R N 0.582 121.087 120.500 0.009 0.000 3.387 93 R HA -0.190 4.789 4.340 1.066 0.000 0.254 93 R C 0.414 176.742 176.300 0.047 0.000 1.006 93 R CA 0.962 57.078 56.100 0.026 0.000 0.677 93 R CB -2.674 27.643 30.300 0.028 0.000 1.063 93 R HN 0.533 nan 8.270 nan 0.000 0.453 94 T N -1.533 113.043 114.554 0.036 0.000 3.114 94 T HA 0.126 5.115 4.350 1.066 0.000 0.240 94 T C 0.693 175.462 174.700 0.116 0.000 0.983 94 T CA 0.392 62.542 62.100 0.083 0.000 1.151 94 T CB 0.609 69.499 68.868 0.037 0.000 0.974 94 T HN 0.048 nan 8.240 nan 0.000 0.442 95 V N 4.337 124.198 119.914 -0.088 0.000 2.406 95 V HA 0.437 5.196 4.120 1.066 0.000 0.272 95 V C 0.504 176.591 176.094 -0.013 0.000 1.043 95 V CA -1.081 61.087 62.300 -0.220 0.000 0.915 95 V CB 0.862 32.402 31.823 -0.471 0.000 0.988 95 V HN 0.576 nan 8.190 nan 0.000 0.466 96 S N 3.367 119.133 115.700 0.110 0.000 2.593 96 S HA 0.062 5.172 4.470 1.066 0.000 0.269 96 S C 1.202 175.829 174.600 0.046 0.000 1.334 96 S CA -0.430 57.821 58.200 0.085 0.000 1.015 96 S CB 0.858 64.118 63.200 0.100 0.000 0.912 96 S HN 0.724 nan 8.310 nan 0.000 0.541 97 c N 1.370 119.997 118.600 0.045 0.000 2.435 97 c HA 0.061 5.270 4.570 1.066 0.000 0.279 97 c C 3.124 177.247 174.090 0.056 0.000 1.321 97 c CA 0.812 57.167 56.329 0.043 0.000 1.752 97 c CB -2.087 40.455 42.510 0.054 0.000 1.959 97 c HN 1.010 nan 8.230 nan 0.000 0.500 98 A N 0.878 123.736 122.820 0.063 0.000 1.883 98 A HA -0.218 4.741 4.320 1.066 0.000 0.217 98 A C 1.814 179.440 177.584 0.070 0.000 1.186 98 A CA 2.239 54.322 52.037 0.076 0.000 0.624 98 A CB -0.571 18.464 19.000 0.060 0.000 0.822 98 A HN 0.509 nan 8.150 nan 0.000 0.444 99 D N -0.692 119.746 120.400 0.063 0.000 2.123 99 D HA -0.083 5.196 4.640 1.066 0.000 0.200 99 D C 1.865 178.177 176.300 0.019 0.000 0.976 99 D CA 1.023 55.066 54.000 0.070 0.000 0.831 99 D CB -0.371 40.549 40.800 0.200 0.000 0.974 99 D HN 0.312 nan 8.370 nan 0.000 0.469 100 L N 0.554 121.777 121.223 0.001 0.000 2.042 100 L HA -0.152 4.827 4.340 1.066 0.000 0.210 100 L C 2.075 178.916 176.870 -0.048 0.000 1.076 100 L CA 1.329 56.145 54.840 -0.040 0.000 0.749 100 L CB -0.523 41.516 42.059 -0.034 0.000 0.893 100 L HN 0.031 nan 8.230 nan 0.000 0.432 101 L N -1.277 119.938 121.223 -0.014 0.000 2.141 101 L HA -0.133 4.846 4.340 1.066 0.000 0.209 101 L C 2.264 179.044 176.870 -0.151 0.000 1.094 101 L CA 2.227 57.057 54.840 -0.015 0.000 0.763 101 L CB -0.961 41.151 42.059 0.088 0.000 0.908 101 L HN 0.326 nan 8.230 nan 0.000 0.437 102 T N -0.199 114.232 114.554 -0.205 0.000 2.737 102 T HA -0.106 4.883 4.350 1.066 0.000 0.265 102 T C 1.977 176.445 174.700 -0.387 0.000 1.038 102 T CA 1.915 63.708 62.100 -0.511 0.000 1.144 102 T CB -0.256 68.484 68.868 -0.212 0.000 0.866 102 T HN 0.310 nan 8.240 nan 0.000 0.434 103 I N 1.470 121.903 120.570 -0.228 0.000 2.226 103 I HA -0.159 4.651 4.170 1.066 0.000 0.245 103 I C 2.957 178.939 176.117 -0.226 0.000 1.100 103 I CA 1.037 62.203 61.300 -0.224 0.000 1.374 103 I CB -0.525 37.391 38.000 -0.141 0.000 1.057 103 I HN 0.187 nan 8.210 nan 0.000 0.413 104 A N 0.896 123.612 122.820 -0.174 0.000 1.940 104 A HA -0.182 4.778 4.320 1.066 0.000 0.219 104 A C 2.555 180.056 177.584 -0.138 0.000 1.176 104 A CA 1.949 53.907 52.037 -0.133 0.000 0.631 104 A CB -0.778 18.169 19.000 -0.088 0.000 0.814 104 A HN 0.441 nan 8.150 nan 0.000 0.446 105 A N -1.051 121.662 122.820 -0.179 0.000 1.873 105 A HA -0.202 4.757 4.320 1.066 0.000 0.215 105 A C 2.225 179.731 177.584 -0.131 0.000 1.186 105 A CA 1.786 53.756 52.037 -0.111 0.000 0.616 105 A CB -0.527 18.380 19.000 -0.156 0.000 0.823 105 A HN 0.561 nan 8.150 nan 0.000 0.442 106 Q N -0.658 118.961 119.800 -0.302 0.000 2.050 106 Q HA -0.213 4.767 4.340 1.066 0.000 0.202 106 Q C 2.027 177.784 176.000 -0.404 0.000 0.980 106 Q CA 1.790 57.270 55.803 -0.538 0.000 0.840 106 Q CB -0.330 27.818 28.738 -0.984 0.000 0.898 106 Q HN 0.651 nan 8.270 nan 0.000 0.424 107 Q N 0.015 119.636 119.800 -0.299 0.000 2.124 107 Q HA -0.057 4.922 4.340 1.066 0.000 0.202 107 Q C 2.220 178.147 176.000 -0.123 0.000 0.977 107 Q CA 1.335 57.017 55.803 -0.201 0.000 0.850 107 Q CB -0.218 28.426 28.738 -0.157 0.000 0.901 107 Q HN 0.299 nan 8.270 nan 0.000 0.429 108 S N 0.371 116.020 115.700 -0.085 0.000 2.368 108 S HA -0.093 5.016 4.470 1.066 0.000 0.225 108 S C 2.192 176.810 174.600 0.030 0.000 1.030 108 S CA 1.066 59.267 58.200 0.002 0.000 0.999 108 S CB -0.187 63.037 63.200 0.041 0.000 0.844 108 S HN 0.140 nan 8.310 nan 0.000 0.459 109 V N 1.717 121.590 119.914 -0.069 0.000 2.343 109 V HA -0.183 4.577 4.120 1.066 0.000 0.247 109 V C 2.512 178.411 176.094 -0.325 0.000 1.051 109 V CA 2.116 64.219 62.300 -0.329 0.000 1.036 109 V CB -1.272 30.283 31.823 -0.446 0.000 0.654 109 V HN 0.514 nan 8.190 nan 0.000 0.451 110 T N 0.284 114.714 114.554 -0.206 0.000 2.746 110 T HA -0.112 4.878 4.350 1.066 0.000 0.267 110 T C 1.894 176.553 174.700 -0.068 0.000 1.039 110 T CA 1.391 63.404 62.100 -0.144 0.000 1.142 110 T CB -0.297 68.496 68.868 -0.125 0.000 0.866 110 T HN 0.285 nan 8.240 nan 0.000 0.444 111 L N 0.714 121.913 121.223 -0.040 0.000 2.131 111 L HA -0.040 4.939 4.340 1.066 0.000 0.210 111 L C 2.641 179.545 176.870 0.056 0.000 1.092 111 L CA 0.943 55.788 54.840 0.008 0.000 0.759 111 L CB -0.462 41.604 42.059 0.012 0.000 0.903 111 L HN 0.235 nan 8.230 nan 0.000 0.435 112 A N -0.771 122.102 122.820 0.090 0.000 2.259 112 A HA 0.326 5.285 4.320 1.066 0.000 0.208 112 A C 1.625 179.294 177.584 0.142 0.000 1.201 112 A CA 0.725 52.868 52.037 0.177 0.000 0.824 112 A CB -0.358 18.862 19.000 0.367 0.000 0.838 112 A HN 0.526 nan 8.150 nan 0.000 0.485 113 G N -2.239 106.609 108.800 0.081 0.000 2.179 113 G HA2 -0.023 4.577 3.960 1.066 0.000 0.220 113 G HA3 -0.023 4.577 3.960 1.066 0.000 0.220 113 G C 0.728 175.703 174.900 0.124 0.000 0.990 113 G CA 0.173 45.344 45.100 0.118 0.000 0.646 113 G HN 1.271 nan 8.290 nan 0.000 0.517 114 G N 0.235 108.972 108.800 -0.106 0.000 2.535 114 G HA2 0.707 5.306 3.960 1.066 0.000 0.282 114 G HA3 0.707 5.306 3.960 1.066 0.000 0.282 114 G C -1.591 172.961 174.900 -0.580 0.000 1.350 114 G CA -0.415 44.357 45.100 -0.547 0.000 1.039 114 G HN 0.288 nan 8.290 nan 0.000 0.509 115 P HA 0.171 nan 4.420 nan 0.000 0.272 115 P C -0.555 176.773 177.300 0.046 0.000 1.230 115 P CA 0.013 62.902 63.100 -0.352 0.000 0.788 115 P CB 1.407 32.832 31.700 -0.458 0.000 0.949 116 S N 1.591 117.382 115.700 0.152 0.000 2.473 116 S HA 0.753 5.863 4.470 1.066 0.000 0.307 116 S C -1.441 173.357 174.600 0.329 0.000 1.094 116 S CA -0.590 57.713 58.200 0.172 0.000 1.070 116 S CB 0.059 63.290 63.200 0.051 0.000 1.019 116 S HN 0.630 nan 8.310 nan 0.000 0.480 117 W N 3.440 124.689 121.300 -0.086 0.000 3.059 117 W HA 0.599 5.898 4.660 1.064 0.000 0.329 117 W C -1.822 174.665 176.519 -0.054 0.000 1.246 117 W CA -1.084 56.224 57.345 -0.063 0.000 1.190 117 W CB 0.573 29.991 29.460 -0.070 0.000 1.423 117 W HN 0.497 nan 8.180 nan 0.000 0.571 118 R N 2.696 123.179 120.500 -0.029 0.000 2.207 118 R HA 0.455 5.434 4.340 1.066 0.000 0.334 118 R C 0.117 176.356 176.300 -0.102 0.000 1.013 118 R CA -0.810 55.204 56.100 -0.144 0.000 0.858 118 R CB 1.406 31.692 30.300 -0.022 0.000 1.094 118 R HN 0.531 nan 8.270 nan 0.000 0.457 119 V N 1.410 121.163 119.914 -0.268 0.000 2.775 119 V HA 0.331 5.090 4.120 1.066 0.000 0.299 119 V C -2.225 173.870 176.094 0.002 0.000 1.062 119 V CA -2.242 60.009 62.300 -0.083 0.000 1.063 119 V CB 0.582 32.302 31.823 -0.171 0.000 0.994 119 V HN 0.541 nan 8.190 nan 0.000 0.483 120 P HA 0.419 nan 4.420 nan 0.000 0.268 120 P C -0.681 176.608 177.300 -0.019 0.000 1.205 120 P CA 0.158 63.271 63.100 0.022 0.000 0.771 120 P CB 0.513 32.230 31.700 0.030 0.000 0.858 121 L N 1.150 122.336 121.223 -0.061 0.000 2.303 121 L HA 0.769 5.749 4.340 1.066 0.000 0.256 121 L C 1.099 177.681 176.870 -0.481 0.000 1.034 121 L CA -0.525 54.219 54.840 -0.160 0.000 0.832 121 L CB 1.956 43.984 42.059 -0.052 0.000 1.403 121 L HN 0.620 nan 8.230 nan 0.000 0.419 122 G N 0.131 108.414 108.800 -0.862 0.000 2.273 122 G HA2 -0.130 4.470 3.960 1.066 0.000 0.162 122 G HA3 -0.130 4.470 3.960 1.066 0.000 0.162 122 G C 0.067 174.562 174.900 -0.674 0.000 1.006 122 G CA -0.682 43.528 45.100 -1.484 0.000 0.704 122 G HN 0.440 nan 8.290 nan 0.000 0.487 123 R N 0.272 120.563 120.500 -0.348 0.000 2.641 123 R HA 0.675 5.654 4.340 1.066 0.000 0.269 123 R C 0.552 176.794 176.300 -0.098 0.000 1.074 123 R CA 0.152 56.157 56.100 -0.157 0.000 1.133 123 R CB 0.571 30.835 30.300 -0.060 0.000 1.029 123 R HN 0.260 nan 8.270 nan 0.000 0.488 124 R N 0.250 120.723 120.500 -0.045 0.000 2.919 124 R HA 0.267 5.246 4.340 1.066 0.000 0.260 124 R C -1.023 175.290 176.300 0.021 0.000 1.067 124 R CA -0.996 55.104 56.100 0.001 0.000 1.003 124 R CB 1.341 31.643 30.300 0.004 0.000 1.192 124 R HN 0.516 nan 8.270 nan 0.000 0.488 125 D N 0.914 121.335 120.400 0.036 0.000 2.255 125 D HA 0.087 5.366 4.640 1.066 0.000 0.249 125 D C 0.076 176.398 176.300 0.037 0.000 1.078 125 D CA -0.032 53.992 54.000 0.041 0.000 0.896 125 D CB 1.511 42.338 40.800 0.045 0.000 1.194 125 D HN 0.484 nan 8.370 nan 0.000 0.429 126 S N 1.056 116.782 115.700 0.043 0.000 2.584 126 S HA 0.114 5.224 4.470 1.066 0.000 0.270 126 S C 1.002 175.599 174.600 -0.004 0.000 1.346 126 S CA -0.435 57.791 58.200 0.043 0.000 1.018 126 S CB 0.620 63.874 63.200 0.090 0.000 0.899 126 S HN 0.451 nan 8.310 nan 0.000 0.542 127 L N 1.006 122.212 121.223 -0.028 0.000 2.667 127 L HA 0.291 5.270 4.340 1.066 0.000 0.232 127 L C 0.813 177.580 176.870 -0.170 0.000 1.138 127 L CA -0.167 54.647 54.840 -0.044 0.000 0.921 127 L CB -0.694 41.361 42.059 -0.007 0.000 1.180 127 L HN 0.849 nan 8.230 nan 0.000 0.487 128 Q N -1.073 118.474 119.800 -0.422 0.000 2.756 128 Q HA 0.716 5.695 4.340 1.066 0.000 0.295 128 Q C -1.696 173.518 176.000 -1.310 0.000 0.903 128 Q CA -0.911 54.225 55.803 -1.110 0.000 0.768 128 Q CB 2.036 30.182 28.738 -0.985 0.000 1.472 128 Q HN -0.088 nan 8.270 nan 0.000 0.416 129 A N 0.619 122.363 122.820 -1.792 0.000 2.330 129 A HA 0.841 5.800 4.320 1.066 0.000 0.329 129 A C -1.378 175.563 177.584 -1.073 0.000 1.135 129 A CA -0.690 50.746 52.037 -1.002 0.000 0.817 129 A CB 0.709 19.440 19.000 -0.448 0.000 1.269 129 A HN 0.524 nan 8.150 nan 0.000 0.469 130 F N 1.986 121.836 119.950 -0.167 0.000 2.564 130 F HA 0.268 5.432 4.527 1.062 0.000 0.361 130 F C 0.809 176.579 175.800 -0.051 0.000 1.161 130 F CA -0.476 57.465 58.000 -0.099 0.000 1.198 130 F CB 1.119 40.065 39.000 -0.090 0.000 1.424 130 F HN 0.494 nan 8.300 nan 0.000 0.517 131 L N 1.065 122.330 121.223 0.069 0.000 2.017 131 L HA -0.122 4.857 4.340 1.066 0.000 0.208 131 L C 1.837 178.744 176.870 0.063 0.000 1.073 131 L CA 2.133 57.000 54.840 0.045 0.000 0.745 131 L CB -0.359 41.709 42.059 0.013 0.000 0.894 131 L HN 0.346 nan 8.230 nan 0.000 0.432 132 D N -0.592 119.859 120.400 0.085 0.000 2.144 132 D HA -0.186 5.093 4.640 1.066 0.000 0.199 132 D C 2.204 178.564 176.300 0.100 0.000 0.984 132 D CA 1.388 55.445 54.000 0.095 0.000 0.834 132 D CB -0.130 40.726 40.800 0.093 0.000 0.955 132 D HN 0.311 nan 8.370 nan 0.000 0.465 133 L N 0.885 122.174 121.223 0.109 0.000 2.093 133 L HA -0.041 4.939 4.340 1.066 0.000 0.208 133 L C 2.142 179.040 176.870 0.047 0.000 1.085 133 L CA 1.363 56.242 54.840 0.064 0.000 0.755 133 L CB -0.588 41.487 42.059 0.027 0.000 0.904 133 L HN -0.064 nan 8.230 nan 0.000 0.435 134 A N -0.633 122.220 122.820 0.056 0.000 1.898 134 A HA -0.188 4.771 4.320 1.066 0.000 0.216 134 A C 2.067 179.671 177.584 0.033 0.000 1.181 134 A CA 1.690 53.732 52.037 0.008 0.000 0.620 134 A CB -0.678 18.320 19.000 -0.003 0.000 0.819 134 A HN 0.552 nan 8.150 nan 0.000 0.442 135 N N 0.333 119.090 118.700 0.095 0.000 2.223 135 N HA -0.069 5.310 4.740 1.066 0.000 0.185 135 N C 1.732 177.360 175.510 0.197 0.000 1.016 135 N CA 1.456 54.631 53.050 0.209 0.000 0.863 135 N CB -0.395 38.271 38.487 0.298 0.000 0.983 135 N HN 0.495 nan 8.380 nan 0.000 0.429 136 A N 0.504 123.409 122.820 0.142 0.000 1.935 136 A HA 0.054 5.013 4.320 1.066 0.000 0.214 136 A C 1.886 179.552 177.584 0.136 0.000 1.178 136 A CA 0.885 53.004 52.037 0.136 0.000 0.640 136 A CB -0.069 18.990 19.000 0.099 0.000 0.825 136 A HN 0.160 nan 8.150 nan 0.000 0.447 137 N N -0.325 118.431 118.700 0.092 0.000 2.409 137 N HA 0.157 5.536 4.740 1.066 0.000 0.174 137 N C 0.174 175.768 175.510 0.141 0.000 1.037 137 N CA 0.195 53.308 53.050 0.104 0.000 0.898 137 N CB -0.191 38.316 38.487 0.033 0.000 1.010 137 N HN 0.376 nan 8.380 nan 0.000 0.445 138 L N 3.248 124.475 121.223 0.006 0.000 2.410 138 L HA 0.226 5.205 4.340 1.066 0.000 0.273 138 L C -1.827 174.973 176.870 -0.116 0.000 1.144 138 L CA -1.437 53.309 54.840 -0.156 0.000 0.863 138 L CB 0.366 42.176 42.059 -0.414 0.000 1.140 138 L HN -0.011 nan 8.230 nan 0.000 0.463 139 P HA 0.252 nan 4.420 nan 0.000 0.274 139 P C -1.067 175.735 177.300 -0.830 0.000 1.246 139 P CA -0.454 62.364 63.100 -0.470 0.000 0.795 139 P CB 1.378 33.065 31.700 -0.023 0.000 1.006 140 A N 2.198 123.967 122.820 -1.751 0.000 2.356 140 A HA 0.584 5.543 4.320 1.066 0.000 0.323 140 A C -1.718 175.299 177.584 -0.945 0.000 1.119 140 A CA -1.717 49.557 52.037 -1.272 0.000 0.790 140 A CB 0.824 18.812 19.000 -1.687 0.000 1.273 140 A HN 0.351 nan 8.150 nan 0.000 0.452 141 P HA -0.141 nan 4.420 nan 0.000 0.221 141 P C 0.749 178.071 177.300 0.038 0.000 1.145 141 P CA 1.337 64.348 63.100 -0.147 0.000 0.795 141 P CB -0.155 31.516 31.700 -0.049 0.000 0.775 142 F N -3.551 116.510 119.950 0.185 0.000 2.732 142 F HA 0.366 4.992 4.527 0.165 0.000 0.303 142 F C 0.612 176.643 175.800 0.385 0.000 1.110 142 F CA -1.534 56.630 58.000 0.274 0.000 1.355 142 F CB -1.296 37.841 39.000 0.229 0.000 1.081 142 F HN -0.363 nan 8.300 nan 0.000 0.565 143 F N 2.712 122.645 119.950 -0.028 0.000 2.518 143 F HA 0.249 5.420 4.527 1.074 0.000 0.359 143 F C 1.395 177.274 175.800 0.132 0.000 1.118 143 F CA -1.300 56.737 58.000 0.061 0.000 1.287 143 F CB 0.491 39.487 39.000 -0.006 0.000 1.132 143 F HN 0.084 nan 8.300 nan 0.000 0.587 144 T N 0.940 115.639 114.554 0.242 0.000 2.788 144 T HA 0.233 5.222 4.350 1.066 0.000 0.280 144 T C 1.144 175.935 174.700 0.153 0.000 0.984 144 T CA -0.785 61.420 62.100 0.175 0.000 0.972 144 T CB 0.804 69.732 68.868 0.100 0.000 1.039 144 T HN 0.471 nan 8.240 nan 0.000 0.530 145 L N 1.359 122.653 121.223 0.118 0.000 2.046 145 L HA 0.162 5.142 4.340 1.066 0.000 0.208 145 L C -0.903 176.008 176.870 0.069 0.000 1.077 145 L CA 1.561 56.455 54.840 0.091 0.000 0.747 145 L CB -1.690 40.407 42.059 0.063 0.000 0.896 145 L HN 0.523 nan 8.230 nan 0.000 0.432 146 P HA -0.174 nan 4.420 nan 0.000 0.217 146 P C 1.474 178.788 177.300 0.024 0.000 1.150 146 P CA 1.458 64.576 63.100 0.029 0.000 0.832 146 P CB -0.015 31.693 31.700 0.013 0.000 0.787 147 Q N -0.984 118.812 119.800 -0.006 0.000 2.119 147 Q HA -0.075 4.905 4.340 1.066 0.000 0.201 147 Q C 2.144 178.216 176.000 0.120 0.000 0.972 147 Q CA 1.032 56.769 55.803 -0.111 0.000 0.847 147 Q CB -0.594 27.871 28.738 -0.455 0.000 0.903 147 Q HN 0.288 nan 8.270 nan 0.000 0.433 148 L N 0.590 121.962 121.223 0.250 0.000 2.017 148 L HA -0.212 4.768 4.340 1.066 0.000 0.208 148 L C 2.285 179.308 176.870 0.255 0.000 1.073 148 L CA 1.318 56.362 54.840 0.340 0.000 0.745 148 L CB -0.316 41.854 42.059 0.185 0.000 0.894 148 L HN 0.130 nan 8.230 nan 0.000 0.432 149 K N -0.198 120.280 120.400 0.130 0.000 2.057 149 K HA -0.180 4.780 4.320 1.066 0.000 0.207 149 K C 1.745 178.454 176.600 0.182 0.000 1.049 149 K CA 1.530 57.883 56.287 0.111 0.000 0.931 149 K CB -0.191 32.343 32.500 0.057 0.000 0.714 149 K HN 0.243 nan 8.250 nan 0.000 0.440 150 D N 0.369 120.858 120.400 0.148 0.000 2.117 150 D HA -0.147 5.133 4.640 1.066 0.000 0.197 150 D C 2.118 178.538 176.300 0.200 0.000 0.987 150 D CA 1.740 55.817 54.000 0.127 0.000 0.829 150 D CB -0.329 40.506 40.800 0.058 0.000 0.961 150 D HN 0.197 nan 8.370 nan 0.000 0.460 151 S N -0.078 115.817 115.700 0.325 0.000 2.368 151 S HA -0.175 4.934 4.470 1.066 0.000 0.225 151 S C 2.083 176.931 174.600 0.413 0.000 1.030 151 S CA 0.725 59.180 58.200 0.425 0.000 0.999 151 S CB -0.788 62.800 63.200 0.647 0.000 0.844 151 S HN 0.091 nan 8.310 nan 0.000 0.459 152 F N 2.334 122.438 119.950 0.256 0.000 2.146 152 F HA 0.198 5.358 4.527 1.056 0.000 0.298 152 F C 2.776 178.579 175.800 0.005 0.000 1.096 152 F CA 0.849 58.958 58.000 0.182 0.000 1.275 152 F CB -0.507 38.636 39.000 0.237 0.000 1.008 152 F HN 0.108 nan 8.300 nan 0.000 0.480 153 R N -0.190 120.441 120.500 0.217 0.000 2.096 153 R HA -0.199 4.780 4.340 1.066 0.000 0.235 153 R C 1.901 178.206 176.300 0.008 0.000 1.127 153 R CA 1.441 57.595 56.100 0.090 0.000 0.968 153 R CB -0.719 29.633 30.300 0.086 0.000 0.861 153 R HN 0.236 nan 8.270 nan 0.000 0.440 154 N N 0.681 119.387 118.700 0.010 0.000 2.205 154 N HA -0.139 5.240 4.740 1.066 0.000 0.186 154 N C 1.469 176.900 175.510 -0.132 0.000 1.015 154 N CA 1.507 54.534 53.050 -0.038 0.000 0.862 154 N CB 0.165 38.653 38.487 0.001 0.000 0.986 154 N HN 0.176 nan 8.380 nan 0.000 0.429 155 V N -4.609 115.151 119.914 -0.257 0.000 3.647 155 V HA 0.557 5.316 4.120 1.066 0.000 0.279 155 V C 1.214 177.131 176.094 -0.295 0.000 1.314 155 V CA 0.528 62.599 62.300 -0.382 0.000 1.125 155 V CB -0.082 31.265 31.823 -0.794 0.000 0.907 155 V HN 0.308 nan 8.190 nan 0.000 0.434 156 G N 0.636 109.324 108.800 -0.186 0.000 2.192 156 G HA2 -0.152 4.447 3.960 1.066 0.000 0.193 156 G HA3 -0.152 4.447 3.960 1.066 0.000 0.193 156 G C -0.145 174.717 174.900 -0.063 0.000 0.999 156 G CA -0.065 44.966 45.100 -0.115 0.000 0.659 156 G HN 0.480 nan 8.290 nan 0.000 0.503 157 L N 1.747 122.945 121.223 -0.042 0.000 2.314 157 L HA 0.405 5.385 4.340 1.066 0.000 0.275 157 L C 1.005 177.958 176.870 0.139 0.000 1.068 157 L CA -0.899 53.988 54.840 0.077 0.000 0.894 157 L CB 0.846 43.009 42.059 0.173 0.000 1.275 157 L HN -0.035 nan 8.230 nan 0.000 0.432 158 N N 1.694 120.445 118.700 0.085 0.000 2.354 158 N HA 0.002 5.381 4.740 1.066 0.000 0.179 158 N C 0.466 176.026 175.510 0.082 0.000 1.021 158 N CA 0.598 53.695 53.050 0.078 0.000 0.887 158 N CB 0.209 38.722 38.487 0.044 0.000 0.974 158 N HN 0.472 nan 8.380 nan 0.000 0.437 159 R N 0.341 120.895 120.500 0.090 0.000 2.438 159 R HA 0.231 5.210 4.340 1.066 0.000 0.287 159 R C 1.085 177.431 176.300 0.077 0.000 1.077 159 R CA -0.128 56.017 56.100 0.076 0.000 1.034 159 R CB 0.705 31.049 30.300 0.074 0.000 0.993 159 R HN -0.043 nan 8.270 nan 0.000 0.459 160 S N 0.841 116.567 115.700 0.045 0.000 2.419 160 S HA -0.165 4.945 4.470 1.066 0.000 0.233 160 S C 1.849 176.477 174.600 0.047 0.000 1.016 160 S CA 1.425 59.637 58.200 0.020 0.000 0.974 160 S CB -0.041 63.159 63.200 0.000 0.000 0.786 160 S HN 0.697 nan 8.310 nan 0.000 0.492 161 S N 1.337 117.088 115.700 0.084 0.000 2.402 161 S HA -0.143 4.966 4.470 1.066 0.000 0.229 161 S C 1.472 176.195 174.600 0.203 0.000 1.021 161 S CA 1.165 59.462 58.200 0.163 0.000 0.974 161 S CB -0.394 62.905 63.200 0.165 0.000 0.800 161 S HN 0.426 nan 8.310 nan 0.000 0.484 162 D N 1.184 121.682 120.400 0.163 0.000 2.092 162 D HA -0.100 5.179 4.640 1.066 0.000 0.193 162 D C 1.941 178.376 176.300 0.224 0.000 0.994 162 D CA 1.129 55.259 54.000 0.217 0.000 0.828 162 D CB -0.595 40.376 40.800 0.286 0.000 0.963 162 D HN 0.378 nan 8.370 nan 0.000 0.450 163 L N 0.885 122.116 121.223 0.014 0.000 2.017 163 L HA -0.145 4.835 4.340 1.066 0.000 0.208 163 L C 2.292 179.116 176.870 -0.077 0.000 1.073 163 L CA 1.414 56.019 54.840 -0.392 0.000 0.745 163 L CB -0.538 41.191 42.059 -0.550 0.000 0.894 163 L HN -0.129 nan 8.230 nan 0.000 0.432 164 V N 0.064 120.038 119.914 0.101 0.000 2.358 164 V HA -0.230 4.529 4.120 1.066 0.000 0.246 164 V C 2.776 179.210 176.094 0.566 0.000 1.047 164 V CA 1.559 64.036 62.300 0.296 0.000 1.035 164 V CB -1.429 30.523 31.823 0.214 0.000 0.658 164 V HN 0.600 nan 8.190 nan 0.000 0.452 165 A N -0.185 122.991 122.820 0.593 0.000 1.873 165 A HA -0.093 4.866 4.320 1.066 0.000 0.215 165 A C 2.195 180.130 177.584 0.585 0.000 1.186 165 A CA 1.566 53.980 52.037 0.628 0.000 0.616 165 A CB -0.522 18.697 19.000 0.365 0.000 0.823 165 A HN 0.487 nan 8.150 nan 0.000 0.442 166 L N -0.274 121.151 121.223 0.337 0.000 2.201 166 L HA -0.111 4.868 4.340 1.066 0.000 0.212 166 L C 2.560 179.460 176.870 0.051 0.000 1.105 166 L CA 1.127 56.105 54.840 0.229 0.000 0.775 166 L CB -0.303 41.858 42.059 0.169 0.000 0.913 166 L HN 0.279 nan 8.230 nan 0.000 0.440 167 S N 0.137 115.816 115.700 -0.034 0.000 2.469 167 S HA -0.097 5.013 4.470 1.066 0.000 0.238 167 S C 1.943 176.093 174.600 -0.750 0.000 0.998 167 S CA 0.946 58.924 58.200 -0.371 0.000 0.957 167 S CB -0.350 62.774 63.200 -0.127 0.000 0.764 167 S HN 0.620 nan 8.310 nan 0.000 0.514 168 G N 1.057 109.655 108.800 -0.337 0.000 2.625 168 G HA2 0.010 4.610 3.960 1.066 0.000 0.214 168 G HA3 0.010 4.610 3.960 1.066 0.000 0.214 168 G C 1.241 175.793 174.900 -0.580 0.000 1.132 168 G CA 0.573 45.308 45.100 -0.608 0.000 0.782 168 G HN 0.550 nan 8.290 nan 0.000 0.538 169 G N -0.449 108.158 108.800 -0.321 0.000 2.498 169 G HA2 -0.126 4.473 3.960 1.066 0.000 0.219 169 G HA3 -0.126 4.473 3.960 1.066 0.000 0.219 169 G C 1.104 175.920 174.900 -0.140 0.000 1.119 169 G CA 0.259 45.315 45.100 -0.075 0.000 0.766 169 G HN 0.682 nan 8.290 nan 0.000 0.552 170 H N -0.551 118.138 119.070 -0.634 0.000 2.592 170 H HA 0.129 5.322 4.556 1.062 0.000 0.291 170 H C 1.995 177.126 175.328 -0.328 0.000 1.052 170 H CA 0.222 55.866 56.048 -0.672 0.000 1.175 170 H CB 0.494 29.737 29.762 -0.865 0.000 1.378 170 H HN 0.249 nan 8.280 nan 0.000 0.576 171 T N 0.748 115.122 114.554 -0.301 0.000 3.148 171 T HA -0.013 4.977 4.350 1.066 0.000 0.253 171 T C -0.194 174.530 174.700 0.041 0.000 1.134 171 T CA 0.135 62.092 62.100 -0.237 0.000 1.051 171 T CB -0.086 68.407 68.868 -0.626 0.000 0.959 171 T HN 0.338 nan 8.240 nan 0.000 0.525 172 F N -1.665 118.272 119.950 -0.021 0.000 2.831 172 F HA 0.706 5.872 4.527 1.064 0.000 0.318 172 F C -0.000 175.876 175.800 0.127 0.000 1.174 172 F CA -1.779 56.267 58.000 0.076 0.000 0.918 172 F CB 0.772 39.826 39.000 0.091 0.000 1.364 172 F HN 0.133 nan 8.300 nan 0.000 0.475 173 G N 1.393 110.273 108.800 0.133 0.000 2.712 173 G HA2 0.210 4.809 3.960 1.066 0.000 0.683 173 G HA3 0.210 4.809 3.960 1.066 0.000 0.683 173 G C -1.685 173.372 174.900 0.261 0.000 1.320 173 G CA -0.764 44.370 45.100 0.056 0.000 0.847 173 G HN 0.783 nan 8.290 nan 0.000 0.553 174 K N 0.009 120.536 120.400 0.212 0.000 2.281 174 K HA 0.700 5.659 4.320 1.066 0.000 0.242 174 K C -0.211 176.449 176.600 0.100 0.000 0.971 174 K CA -1.007 55.355 56.287 0.125 0.000 0.834 174 K CB 2.080 34.614 32.500 0.056 0.000 1.181 174 K HN 0.801 nan 8.250 nan 0.000 0.435 175 N N 0.562 119.172 118.700 -0.149 0.000 2.336 175 N HA 0.099 5.479 4.740 1.066 0.000 0.290 175 N C -1.413 174.077 175.510 -0.033 0.000 1.058 175 N CA -0.372 52.569 53.050 -0.182 0.000 0.865 175 N CB 1.458 39.461 38.487 -0.807 0.000 1.581 175 N HN 0.302 nan 8.380 nan 0.000 0.480 176 Q N 1.775 121.656 119.800 0.134 0.000 2.327 176 Q HA 0.184 5.164 4.340 1.066 0.000 0.254 176 Q C 0.670 176.636 176.000 -0.057 0.000 0.952 176 Q CA -0.507 55.299 55.803 0.005 0.000 0.884 176 Q CB 1.030 29.714 28.738 -0.091 0.000 1.224 176 Q HN 0.745 nan 8.270 nan 0.000 0.422 177 c N 1.680 120.232 118.600 -0.079 0.000 2.403 177 c HA -0.215 4.995 4.570 1.066 0.000 0.277 177 c C 2.458 176.497 174.090 -0.084 0.000 1.248 177 c CA 1.347 57.638 56.329 -0.063 0.000 1.762 177 c CB -1.176 41.309 42.510 -0.041 0.000 2.014 177 c HN 0.960 nan 8.230 nan 0.000 0.486 178 R N 0.262 120.635 120.500 -0.212 0.000 2.154 178 R HA -0.188 4.792 4.340 1.066 0.000 0.248 178 R C 1.543 177.720 176.300 -0.204 0.000 1.155 178 R CA 2.131 58.062 56.100 -0.280 0.000 0.979 178 R CB -0.953 29.049 30.300 -0.496 0.000 0.869 178 R HN 0.415 nan 8.270 nan 0.000 0.452 179 F N 1.447 121.439 119.950 0.069 0.000 2.748 179 F HA 0.196 5.280 4.527 0.930 0.000 0.299 179 F C 1.863 177.721 175.800 0.096 0.000 1.154 179 F CA 0.028 58.089 58.000 0.102 0.000 1.446 179 F CB 0.042 39.093 39.000 0.086 0.000 1.112 179 F HN 0.143 nan 8.300 nan 0.000 0.584 180 I N -5.120 115.557 120.570 0.177 0.000 4.338 180 I HA 0.101 4.911 4.170 1.066 0.000 0.329 180 I C 1.587 177.751 176.117 0.079 0.000 1.378 180 I CA 0.030 61.396 61.300 0.110 0.000 1.170 180 I CB -0.077 37.926 38.000 0.005 0.000 1.206 180 I HN -0.201 nan 8.210 nan 0.000 0.432 181 M N 2.699 122.364 119.600 0.109 0.000 2.144 181 M HA -0.181 4.938 4.480 1.066 0.000 0.260 181 M C 1.972 178.385 176.300 0.189 0.000 1.067 181 M CA 2.105 57.504 55.300 0.165 0.000 1.095 181 M CB -1.156 31.539 32.600 0.158 0.000 1.365 181 M HN 0.583 nan 8.290 nan 0.000 0.406 182 D N 0.028 120.543 120.400 0.192 0.000 2.117 182 D HA -0.192 5.087 4.640 1.066 0.000 0.198 182 D C 1.910 178.383 176.300 0.288 0.000 0.982 182 D CA 1.252 55.394 54.000 0.236 0.000 0.828 182 D CB -0.718 40.225 40.800 0.239 0.000 0.967 182 D HN 0.381 nan 8.370 nan 0.000 0.464 183 R N 0.097 120.740 120.500 0.238 0.000 2.120 183 R HA 0.034 5.013 4.340 1.066 0.000 0.234 183 R C 2.645 178.868 176.300 -0.128 0.000 1.123 183 R CA 0.827 56.938 56.100 0.018 0.000 0.975 183 R CB -0.272 29.967 30.300 -0.101 0.000 0.866 183 R HN 0.306 nan 8.270 nan 0.000 0.446 184 L N -1.385 119.706 121.223 -0.220 0.000 2.209 184 L HA -0.054 4.926 4.340 1.066 0.000 0.207 184 L C 1.295 177.705 176.870 -0.766 0.000 1.094 184 L CA 1.123 55.613 54.840 -0.584 0.000 0.790 184 L CB -0.054 41.473 42.059 -0.887 0.000 0.932 184 L HN 0.167 nan 8.230 nan 0.000 0.447 185 Y N -2.424 117.901 120.300 0.042 0.000 2.572 185 Y HA 0.238 5.424 4.550 1.060 0.000 0.274 185 Y C 0.584 176.521 175.900 0.060 0.000 1.135 185 Y CA -0.742 57.381 58.100 0.039 0.000 1.230 185 Y CB 0.483 38.956 38.460 0.022 0.000 1.293 185 Y HN 0.039 nan 8.280 nan 0.000 0.501 186 N N 0.190 119.021 118.700 0.219 0.000 2.732 186 N HA 0.104 5.483 4.740 1.066 0.000 0.247 186 N C -2.026 173.595 175.510 0.185 0.000 1.305 186 N CA -0.304 52.847 53.050 0.168 0.000 0.762 186 N CB -0.021 38.541 38.487 0.124 0.000 1.361 186 N HN 0.008 nan 8.380 nan 0.000 0.545 187 F N 3.111 123.083 119.950 0.038 0.000 2.420 187 F HA 0.395 5.557 4.527 1.058 0.000 0.352 187 F C 1.270 177.091 175.800 0.036 0.000 1.108 187 F CA 0.067 58.090 58.000 0.038 0.000 1.162 187 F CB 0.977 39.995 39.000 0.031 0.000 1.118 187 F HN 0.527 nan 8.300 nan 0.000 0.510 188 S N 5.609 120.969 115.700 -0.566 0.000 3.549 188 S HA -0.295 4.814 4.470 1.066 0.000 0.366 188 S C 0.450 174.955 174.600 -0.158 0.000 1.012 188 S CA 0.943 58.891 58.200 -0.419 0.000 1.141 188 S CB -1.688 61.215 63.200 -0.495 0.000 0.910 188 S HN 0.993 nan 8.310 nan 0.000 0.471 189 N N -1.301 117.344 118.700 -0.092 0.000 2.725 189 N HA -0.209 5.170 4.740 1.066 0.000 0.249 189 N C 0.705 176.213 175.510 -0.003 0.000 1.103 189 N CA 1.547 54.576 53.050 -0.035 0.000 0.707 189 N CB -2.057 36.403 38.487 -0.046 0.000 1.043 189 N HN 0.960 nan 8.380 nan 0.000 0.553 190 T N -4.475 110.093 114.554 0.024 0.000 3.044 190 T HA 0.344 5.333 4.350 1.066 0.000 0.250 190 T C 1.497 176.231 174.700 0.057 0.000 1.081 190 T CA 1.098 63.227 62.100 0.048 0.000 1.040 190 T CB 0.560 69.478 68.868 0.083 0.000 0.962 190 T HN 0.622 nan 8.240 nan 0.000 0.506 191 G N 1.200 110.039 108.800 0.065 0.000 2.155 191 G HA2 -0.203 4.397 3.960 1.066 0.000 0.257 191 G HA3 -0.203 4.397 3.960 1.066 0.000 0.257 191 G C -0.130 174.821 174.900 0.085 0.000 0.983 191 G CA 0.570 45.712 45.100 0.069 0.000 0.676 191 G HN 0.648 nan 8.290 nan 0.000 0.528 192 L N 0.434 121.717 121.223 0.099 0.000 2.327 192 L HA 0.605 5.584 4.340 1.066 0.000 0.258 192 L C -2.010 174.923 176.870 0.104 0.000 1.024 192 L CA -2.686 52.208 54.840 0.089 0.000 0.825 192 L CB 2.495 44.597 42.059 0.073 0.000 1.386 192 L HN -0.133 nan 8.230 nan 0.000 0.417 193 P HA -0.001 nan 4.420 nan 0.000 0.274 193 P C -1.126 176.151 177.300 -0.038 0.000 1.246 193 P CA -0.290 62.798 63.100 -0.019 0.000 0.795 193 P CB 0.640 32.282 31.700 -0.097 0.000 1.006 194 D N 1.961 122.232 120.400 -0.216 0.000 2.412 194 D HA -0.001 5.278 4.640 1.066 0.000 0.257 194 D C -1.046 175.106 176.300 -0.247 0.000 1.217 194 D CA -1.814 51.878 54.000 -0.513 0.000 0.897 194 D CB 0.299 40.482 40.800 -1.029 0.000 1.132 194 D HN 0.193 nan 8.370 nan 0.000 0.493 195 P HA -0.123 nan 4.420 nan 0.000 0.225 195 P C 0.875 178.136 177.300 -0.064 0.000 1.148 195 P CA 0.950 64.013 63.100 -0.061 0.000 0.779 195 P CB -0.093 31.603 31.700 -0.007 0.000 0.780 196 T N -3.465 111.028 114.554 -0.102 0.000 3.129 196 T HA 0.151 5.140 4.350 1.066 0.000 0.251 196 T C 0.556 175.225 174.700 -0.053 0.000 1.117 196 T CA -0.358 61.709 62.100 -0.055 0.000 1.034 196 T CB -0.588 68.255 68.868 -0.042 0.000 0.968 196 T HN -0.087 nan 8.240 nan 0.000 0.526 197 L N 3.048 124.219 121.223 -0.086 0.000 2.272 197 L HA 0.436 5.416 4.340 1.066 0.000 0.289 197 L C -0.045 176.817 176.870 -0.012 0.000 1.032 197 L CA -0.975 53.834 54.840 -0.051 0.000 0.810 197 L CB 0.825 42.815 42.059 -0.115 0.000 1.205 197 L HN 0.160 nan 8.230 nan 0.000 0.422 198 N N 2.489 121.212 118.700 0.038 0.000 2.294 198 N HA -0.140 5.239 4.740 1.066 0.000 0.263 198 N C 0.929 176.463 175.510 0.040 0.000 1.281 198 N CA 0.958 54.032 53.050 0.040 0.000 0.846 198 N CB 1.043 39.559 38.487 0.049 0.000 1.061 198 N HN 0.890 nan 8.380 nan 0.000 0.478 199 T N 0.597 115.159 114.554 0.013 0.000 2.881 199 T HA -0.112 4.878 4.350 1.066 0.000 0.270 199 T C 1.648 176.357 174.700 0.016 0.000 1.068 199 T CA 1.606 63.706 62.100 0.001 0.000 1.131 199 T CB -0.252 68.614 68.868 -0.004 0.000 0.871 199 T HN 0.509 nan 8.240 nan 0.000 0.479 200 T N 0.583 115.160 114.554 0.038 0.000 2.851 200 T HA 0.018 5.008 4.350 1.066 0.000 0.262 200 T C 1.444 176.205 174.700 0.101 0.000 1.043 200 T CA 0.916 63.044 62.100 0.048 0.000 1.140 200 T CB -0.522 68.367 68.868 0.036 0.000 0.872 200 T HN 0.422 nan 8.240 nan 0.000 0.446 201 Y N 1.933 122.204 120.300 -0.049 0.000 2.293 201 Y HA 0.014 5.204 4.550 1.067 0.000 0.291 201 Y C 2.046 177.908 175.900 -0.063 0.000 1.137 201 Y CA 0.060 58.127 58.100 -0.054 0.000 1.202 201 Y CB -0.745 37.678 38.460 -0.062 0.000 0.990 201 Y HN 0.107 nan 8.280 nan 0.000 0.537 202 L N 0.369 121.566 121.223 -0.043 0.000 2.042 202 L HA -0.248 4.731 4.340 1.066 0.000 0.210 202 L C 2.074 178.857 176.870 -0.146 0.000 1.076 202 L CA 1.974 56.719 54.840 -0.158 0.000 0.749 202 L CB -0.919 41.072 42.059 -0.112 0.000 0.893 202 L HN 0.107 nan 8.230 nan 0.000 0.432 203 Q N -0.533 119.228 119.800 -0.065 0.000 2.050 203 Q HA -0.149 4.831 4.340 1.066 0.000 0.202 203 Q C 2.262 178.236 176.000 -0.043 0.000 0.980 203 Q CA 2.363 58.142 55.803 -0.039 0.000 0.840 203 Q CB -1.083 27.653 28.738 -0.005 0.000 0.898 203 Q HN 0.557 nan 8.270 nan 0.000 0.424 204 T N 1.040 115.576 114.554 -0.031 0.000 2.684 204 T HA -0.106 4.883 4.350 1.066 0.000 0.267 204 T C 1.840 176.481 174.700 -0.098 0.000 1.036 204 T CA 1.152 63.239 62.100 -0.021 0.000 1.148 204 T CB -0.326 68.588 68.868 0.076 0.000 0.863 204 T HN 0.171 nan 8.240 nan 0.000 0.436 205 L N 0.219 121.298 121.223 -0.240 0.000 2.131 205 L HA -0.047 4.933 4.340 1.066 0.000 0.210 205 L C 2.850 179.629 176.870 -0.152 0.000 1.092 205 L CA 1.240 55.916 54.840 -0.272 0.000 0.759 205 L CB -0.464 41.319 42.059 -0.459 0.000 0.903 205 L HN 0.149 nan 8.230 nan 0.000 0.435 206 R N -0.147 120.275 120.500 -0.130 0.000 2.115 206 R HA -0.091 4.889 4.340 1.066 0.000 0.230 206 R C 2.340 178.671 176.300 0.052 0.000 1.111 206 R CA 1.112 57.202 56.100 -0.017 0.000 0.976 206 R CB -0.494 29.799 30.300 -0.012 0.000 0.870 206 R HN 0.422 nan 8.270 nan 0.000 0.445 207 G N 0.455 109.258 108.800 0.006 0.000 2.421 207 G HA2 -0.163 4.437 3.960 1.066 0.000 0.217 207 G HA3 -0.163 4.437 3.960 1.066 0.000 0.217 207 G C 1.341 176.246 174.900 0.009 0.000 1.143 207 G CA 0.238 45.346 45.100 0.014 0.000 0.784 207 G HN 0.139 nan 8.290 nan 0.000 0.541 208 L N -0.392 120.825 121.223 -0.010 0.000 2.270 208 L HA 0.171 5.151 4.340 1.066 0.000 0.210 208 L C 0.557 177.425 176.870 -0.004 0.000 1.104 208 L CA 0.160 54.992 54.840 -0.013 0.000 0.804 208 L CB 0.283 42.321 42.059 -0.035 0.000 0.937 208 L HN 0.113 nan 8.230 nan 0.000 0.450 209 c N 1.036 119.645 118.600 0.015 0.000 3.273 209 c HA 0.339 5.549 4.570 1.066 0.000 0.227 209 c C -2.095 172.082 174.090 0.146 0.000 1.409 209 c CA -1.584 54.776 56.329 0.051 0.000 1.516 209 c CB -0.322 42.208 42.510 0.034 0.000 1.853 209 c HN 0.106 nan 8.230 nan 0.000 0.472 210 P HA 0.051 nan 4.420 nan 0.000 0.269 210 P C -0.041 177.216 177.300 -0.072 0.000 1.215 210 P CA 0.093 63.231 63.100 0.063 0.000 0.780 210 P CB 1.127 32.831 31.700 0.007 0.000 0.898 211 L N 2.952 123.951 121.223 -0.372 0.000 2.490 211 L HA -0.036 4.944 4.340 1.066 0.000 0.274 211 L C 0.999 177.728 176.870 -0.234 0.000 1.201 211 L CA 0.646 55.166 54.840 -0.532 0.000 0.869 211 L CB -0.800 40.778 42.059 -0.801 0.000 1.123 211 L HN 0.627 nan 8.230 nan 0.000 0.484 212 N N 1.394 119.996 118.700 -0.163 0.000 2.800 212 N HA -0.170 5.209 4.740 1.066 0.000 0.250 212 N C 0.319 175.788 175.510 -0.068 0.000 1.078 212 N CA 0.304 53.295 53.050 -0.098 0.000 0.804 212 N CB -0.879 37.550 38.487 -0.096 0.000 1.135 212 N HN 0.809 nan 8.380 nan 0.000 0.565 213 G N 0.482 109.246 108.800 -0.060 0.000 2.531 213 G HA2 0.225 4.825 3.960 1.066 0.000 0.281 213 G HA3 0.225 4.825 3.960 1.066 0.000 0.281 213 G C -0.222 174.659 174.900 -0.030 0.000 1.382 213 G CA -0.438 44.640 45.100 -0.037 0.000 1.045 213 G HN 0.293 nan 8.290 nan 0.000 0.533 214 N N 0.153 118.839 118.700 -0.024 0.000 2.406 214 N HA 0.039 5.418 4.740 1.066 0.000 0.265 214 N C 1.413 176.903 175.510 -0.033 0.000 1.203 214 N CA -0.424 52.611 53.050 -0.025 0.000 0.945 214 N CB 0.208 38.683 38.487 -0.019 0.000 1.165 214 N HN 0.325 nan 8.380 nan 0.000 0.485 215 L N 2.299 123.496 121.223 -0.045 0.000 2.362 215 L HA -0.082 4.897 4.340 1.066 0.000 0.219 215 L C 1.763 178.577 176.870 -0.094 0.000 1.134 215 L CA 0.624 55.421 54.840 -0.071 0.000 0.807 215 L CB -0.111 41.897 42.059 -0.084 0.000 0.927 215 L HN 0.531 nan 8.230 nan 0.000 0.447 216 S N -0.194 115.468 115.700 -0.063 0.000 2.593 216 S HA 0.229 5.339 4.470 1.066 0.000 0.217 216 S C 1.055 175.636 174.600 -0.032 0.000 0.966 216 S CA -0.070 58.099 58.200 -0.052 0.000 0.914 216 S CB -0.044 63.141 63.200 -0.026 0.000 0.776 216 S HN 0.362 nan 8.310 nan 0.000 0.523 217 A N 1.670 124.471 122.820 -0.032 0.000 2.531 217 A HA 0.393 5.352 4.320 1.066 0.000 0.236 217 A C 0.009 177.579 177.584 -0.024 0.000 1.062 217 A CA 0.122 52.146 52.037 -0.022 0.000 0.760 217 A CB -0.013 18.974 19.000 -0.020 0.000 0.995 217 A HN 0.465 nan 8.150 nan 0.000 0.501 218 L N 2.452 123.666 121.223 -0.015 0.000 2.325 218 L HA 0.640 5.620 4.340 1.066 0.000 0.279 218 L C -0.012 176.840 176.870 -0.030 0.000 1.054 218 L CA -0.605 54.225 54.840 -0.017 0.000 0.804 218 L CB 1.410 43.470 42.059 0.001 0.000 1.200 218 L HN 0.528 nan 8.230 nan 0.000 0.436 219 V N 1.787 121.665 119.914 -0.061 0.000 2.914 219 V HA 0.407 5.167 4.120 1.066 0.000 0.314 219 V C -0.908 175.135 176.094 -0.086 0.000 1.084 219 V CA -0.691 61.567 62.300 -0.070 0.000 0.963 219 V CB 2.552 34.313 31.823 -0.103 0.000 1.025 219 V HN 0.668 nan 8.190 nan 0.000 0.432 220 D N 3.809 124.198 120.400 -0.019 0.000 2.350 220 D HA 0.155 5.434 4.640 1.066 0.000 0.249 220 D C 0.496 176.818 176.300 0.038 0.000 1.119 220 D CA 0.276 54.301 54.000 0.040 0.000 0.886 220 D CB 1.381 42.233 40.800 0.087 0.000 1.195 220 D HN 0.525 nan 8.370 nan 0.000 0.437 221 F N 0.549 120.541 119.950 0.070 0.000 2.186 221 F HA -0.140 5.018 4.527 1.052 0.000 0.299 221 F C 1.345 177.217 175.800 0.121 0.000 1.090 221 F CA 0.931 58.978 58.000 0.078 0.000 1.307 221 F CB 0.251 39.280 39.000 0.049 0.000 1.019 221 F HN 0.199 nan 8.300 nan 0.000 0.489 222 D N 0.136 120.712 120.400 0.293 0.000 2.453 222 D HA 0.142 5.421 4.640 1.066 0.000 0.238 222 D C 0.940 177.294 176.300 0.091 0.000 1.088 222 D CA -0.237 53.864 54.000 0.169 0.000 0.854 222 D CB 0.813 41.700 40.800 0.145 0.000 1.076 222 D HN 0.234 nan 8.370 nan 0.000 0.533 223 L N 1.868 123.107 121.223 0.027 0.000 2.362 223 L HA 0.114 5.094 4.340 1.066 0.000 0.219 223 L C 1.704 178.556 176.870 -0.029 0.000 1.134 223 L CA 0.421 55.258 54.840 -0.005 0.000 0.807 223 L CB 0.073 42.067 42.059 -0.109 0.000 0.927 223 L HN 0.132 nan 8.230 nan 0.000 0.447 224 R N 0.915 121.389 120.500 -0.044 0.000 2.052 224 R HA 0.048 5.027 4.340 1.066 0.000 0.224 224 R C 0.448 176.747 176.300 -0.002 0.000 1.149 224 R CA 1.536 57.612 56.100 -0.040 0.000 0.962 224 R CB -0.143 30.120 30.300 -0.063 0.000 0.856 224 R HN 0.546 nan 8.270 nan 0.000 0.433 225 T N -1.824 112.741 114.554 0.018 0.000 3.226 225 T HA 0.306 5.295 4.350 1.066 0.000 0.378 225 T C -2.490 172.262 174.700 0.086 0.000 1.380 225 T CA -1.844 60.283 62.100 0.045 0.000 1.396 225 T CB 1.673 70.563 68.868 0.037 0.000 1.044 225 T HN -0.160 nan 8.240 nan 0.000 0.586 226 P HA -0.157 nan 4.420 nan 0.000 0.217 226 P C 1.478 178.897 177.300 0.198 0.000 1.148 226 P CA 1.563 64.747 63.100 0.140 0.000 0.834 226 P CB 0.078 31.840 31.700 0.103 0.000 0.783 227 T N -6.134 108.533 114.554 0.189 0.000 3.043 227 T HA 0.289 5.279 4.350 1.066 0.000 0.272 227 T C 0.442 175.330 174.700 0.313 0.000 0.990 227 T CA -0.223 62.031 62.100 0.257 0.000 0.897 227 T CB -0.365 68.601 68.868 0.163 0.000 1.111 227 T HN -0.093 nan 8.240 nan 0.000 0.529 228 I N 1.892 122.589 120.570 0.212 0.000 2.353 228 I HA 0.426 5.236 4.170 1.066 0.000 0.293 228 I C -0.685 175.473 176.117 0.067 0.000 0.992 228 I CA -1.264 60.133 61.300 0.161 0.000 1.268 228 I CB 1.390 39.456 38.000 0.111 0.000 1.387 228 I HN 0.114 nan 8.210 nan 0.000 0.478 229 F N 7.532 127.407 119.950 -0.124 0.000 2.405 229 F HA 0.225 5.391 4.527 1.064 0.000 0.358 229 F C -0.121 175.690 175.800 0.018 0.000 1.151 229 F CA -0.123 57.684 58.000 -0.322 0.000 1.161 229 F CB -0.169 38.507 39.000 -0.539 0.000 1.245 229 F HN 0.552 nan 8.300 nan 0.000 0.545 230 D N 2.513 122.825 120.400 -0.146 0.000 2.759 230 D HA 0.137 5.416 4.640 1.066 0.000 0.321 230 D C -0.194 176.130 176.300 0.040 0.000 1.267 230 D CA -0.757 53.328 54.000 0.142 0.000 0.933 230 D CB 0.157 41.005 40.800 0.081 0.000 1.431 230 D HN 0.246 nan 8.370 nan 0.000 0.504 231 N N -0.306 118.434 118.700 0.066 0.000 2.383 231 N HA -0.066 5.313 4.740 1.066 0.000 0.192 231 N C 0.533 176.016 175.510 -0.045 0.000 1.141 231 N CA -0.031 52.985 53.050 -0.056 0.000 0.851 231 N CB 0.008 38.499 38.487 0.006 0.000 0.976 231 N HN 0.197 nan 8.380 nan 0.000 0.465 232 K N 0.474 120.829 120.400 -0.074 0.000 2.211 232 K HA -0.176 4.784 4.320 1.066 0.000 0.204 232 K C 1.371 177.894 176.600 -0.129 0.000 1.047 232 K CA 0.636 56.873 56.287 -0.083 0.000 0.935 232 K CB -0.778 31.682 32.500 -0.066 0.000 0.728 232 K HN 0.416 nan 8.250 nan 0.000 0.452 233 Y N 0.801 120.895 120.300 -0.343 0.000 2.151 233 Y HA -0.321 4.866 4.550 1.061 0.000 0.284 233 Y C 1.783 177.374 175.900 -0.516 0.000 1.166 233 Y CA 1.666 59.487 58.100 -0.465 0.000 1.163 233 Y CB -0.413 37.629 38.460 -0.696 0.000 0.974 233 Y HN 0.023 nan 8.280 nan 0.000 0.511 234 Y N -1.379 118.753 120.300 -0.280 0.000 2.337 234 Y HA -0.109 5.082 4.550 1.068 0.000 0.293 234 Y C 2.491 178.180 175.900 -0.352 0.000 1.123 234 Y CA 1.185 59.081 58.100 -0.339 0.000 1.201 234 Y CB -0.761 37.593 38.460 -0.177 0.000 1.011 234 Y HN -0.035 nan 8.280 nan 0.000 0.545 235 V N 0.536 120.359 119.914 -0.150 0.000 2.407 235 V HA -0.283 4.477 4.120 1.066 0.000 0.248 235 V C 1.847 177.776 176.094 -0.276 0.000 1.055 235 V CA 1.832 64.020 62.300 -0.186 0.000 1.049 235 V CB -0.541 31.203 31.823 -0.133 0.000 0.662 235 V HN 0.468 nan 8.190 nan 0.000 0.455 236 N N 0.597 119.110 118.700 -0.312 0.000 2.084 236 N HA -0.116 5.264 4.740 1.066 0.000 0.190 236 N C 1.836 177.112 175.510 -0.391 0.000 1.030 236 N CA 1.424 54.270 53.050 -0.339 0.000 0.849 236 N CB -0.533 37.753 38.487 -0.335 0.000 1.012 236 N HN 0.387 nan 8.380 nan 0.000 0.423 237 L N 1.380 122.305 121.223 -0.496 0.000 2.042 237 L HA -0.158 4.822 4.340 1.066 0.000 0.210 237 L C 2.002 178.413 176.870 -0.766 0.000 1.076 237 L CA 1.298 55.831 54.840 -0.512 0.000 0.749 237 L CB -0.564 41.197 42.059 -0.496 0.000 0.893 237 L HN 0.232 nan 8.230 nan 0.000 0.432 238 E N 0.233 119.896 120.200 -0.895 0.000 2.265 238 E HA -0.194 4.795 4.350 1.066 0.000 0.196 238 E C 1.223 177.504 176.600 -0.531 0.000 0.996 238 E CA 0.920 56.654 56.400 -1.110 0.000 0.832 238 E CB -0.002 29.333 29.700 -0.609 0.000 0.756 238 E HN 0.599 nan 8.360 nan 0.000 0.491 239 E N 0.379 120.364 120.200 -0.358 0.000 2.465 239 E HA 0.014 5.004 4.350 1.066 0.000 0.195 239 E C -0.352 176.162 176.600 -0.144 0.000 1.028 239 E CA -0.110 56.170 56.400 -0.199 0.000 0.899 239 E CB 0.568 30.155 29.700 -0.190 0.000 1.032 239 E HN 0.070 nan 8.360 nan 0.000 0.468 240 Q N -0.183 119.528 119.800 -0.147 0.000 2.494 240 Q HA -0.216 4.763 4.340 1.066 0.000 0.272 240 Q C 0.021 175.997 176.000 -0.040 0.000 1.145 240 Q CA 0.949 56.721 55.803 -0.051 0.000 0.943 240 Q CB -2.050 26.691 28.738 0.004 0.000 1.338 240 Q HN 0.364 nan 8.270 nan 0.000 0.492 241 K N -0.150 120.177 120.400 -0.122 0.000 2.514 241 K HA 0.264 5.223 4.320 1.066 0.000 0.207 241 K C 0.865 177.443 176.600 -0.038 0.000 1.035 241 K CA 0.372 56.587 56.287 -0.118 0.000 1.113 241 K CB 0.869 33.107 32.500 -0.437 0.000 0.846 241 K HN 0.266 nan 8.250 nan 0.000 0.491 242 G N 1.027 109.801 108.800 -0.043 0.000 2.441 242 G HA2 0.038 4.638 3.960 1.066 0.000 0.243 242 G HA3 0.038 4.638 3.960 1.066 0.000 0.243 242 G C 0.700 175.684 174.900 0.139 0.000 1.281 242 G CA -0.423 44.666 45.100 -0.018 0.000 0.854 242 G HN 0.124 nan 8.290 nan 0.000 0.560 243 L N 3.098 124.440 121.223 0.199 0.000 2.007 243 L HA 0.219 5.199 4.340 1.066 0.000 0.205 243 L C 1.566 178.477 176.870 0.068 0.000 1.073 243 L CA 1.278 56.196 54.840 0.129 0.000 0.744 243 L CB -0.459 41.615 42.059 0.025 0.000 0.898 243 L HN 0.654 nan 8.230 nan 0.000 0.435 244 I N -3.325 117.336 120.570 0.152 0.000 2.793 244 I HA 0.217 5.027 4.170 1.066 0.000 0.313 244 I C 1.274 177.492 176.117 0.168 0.000 0.998 244 I CA -0.588 60.806 61.300 0.156 0.000 1.140 244 I CB 0.975 39.098 38.000 0.205 0.000 1.327 244 I HN 0.293 nan 8.210 nan 0.000 0.491 245 Q N 2.357 122.265 119.800 0.180 0.000 2.077 245 Q HA -0.227 4.753 4.340 1.066 0.000 0.206 245 Q C 1.970 178.089 176.000 0.198 0.000 0.989 245 Q CA 3.284 59.204 55.803 0.194 0.000 0.853 245 Q CB -0.084 28.853 28.738 0.332 0.000 0.907 245 Q HN 0.957 nan 8.270 nan 0.000 0.418 246 S N 0.048 115.874 115.700 0.210 0.000 2.442 246 S HA -0.164 4.945 4.470 1.066 0.000 0.236 246 S C 1.225 175.947 174.600 0.203 0.000 1.007 246 S CA 1.248 59.566 58.200 0.197 0.000 0.965 246 S CB -0.202 63.099 63.200 0.167 0.000 0.773 246 S HN 0.408 nan 8.310 nan 0.000 0.504 247 D N 1.440 121.987 120.400 0.244 0.000 2.085 247 D HA -0.038 5.242 4.640 1.066 0.000 0.199 247 D C 2.141 178.516 176.300 0.125 0.000 0.981 247 D CA 1.235 55.391 54.000 0.261 0.000 0.834 247 D CB -0.605 40.389 40.800 0.323 0.000 0.992 247 D HN 0.365 nan 8.370 nan 0.000 0.457 248 Q N 0.894 120.753 119.800 0.099 0.000 2.226 248 Q HA -0.120 4.859 4.340 1.066 0.000 0.204 248 Q C 1.666 177.736 176.000 0.116 0.000 0.975 248 Q CA 1.056 56.904 55.803 0.074 0.000 0.866 248 Q CB -0.072 28.695 28.738 0.049 0.000 0.915 248 Q HN 0.190 nan 8.270 nan 0.000 0.440 249 E N -0.166 120.108 120.200 0.122 0.000 2.204 249 E HA -0.151 4.838 4.350 1.066 0.000 0.195 249 E C 1.796 178.459 176.600 0.105 0.000 0.990 249 E CA 0.775 57.245 56.400 0.117 0.000 0.821 249 E CB -0.101 29.681 29.700 0.137 0.000 0.750 249 E HN 0.466 nan 8.360 nan 0.000 0.477 250 L N -0.750 120.547 121.223 0.123 0.000 2.201 250 L HA -0.118 4.862 4.340 1.066 0.000 0.212 250 L C 2.171 179.133 176.870 0.153 0.000 1.105 250 L CA 0.847 55.760 54.840 0.122 0.000 0.775 250 L CB -0.227 41.925 42.059 0.154 0.000 0.913 250 L HN 0.056 nan 8.230 nan 0.000 0.440 251 F N -1.107 118.838 119.950 -0.009 0.000 2.602 251 F HA 0.087 5.252 4.527 1.063 0.000 0.284 251 F C 2.144 177.932 175.800 -0.020 0.000 1.111 251 F CA 0.415 58.400 58.000 -0.025 0.000 1.405 251 F CB 0.412 39.385 39.000 -0.046 0.000 1.121 251 F HN -0.180 nan 8.300 nan 0.000 0.603 252 S N -1.027 114.705 115.700 0.052 0.000 2.523 252 S HA 0.107 5.217 4.470 1.066 0.000 0.217 252 S C 0.700 175.286 174.600 -0.024 0.000 0.996 252 S CA 0.053 58.238 58.200 -0.024 0.000 0.921 252 S CB -0.067 63.173 63.200 0.067 0.000 0.829 252 S HN 0.212 nan 8.310 nan 0.000 0.495 253 S N 2.541 118.243 115.700 0.004 0.000 2.568 253 S HA 0.147 5.256 4.470 1.066 0.000 0.282 253 S C -1.893 172.699 174.600 -0.015 0.000 1.338 253 S CA -1.112 57.099 58.200 0.018 0.000 1.045 253 S CB 0.713 63.937 63.200 0.040 0.000 0.873 253 S HN -0.011 nan 8.310 nan 0.000 0.516 254 P HA -0.017 nan 4.420 nan 0.000 0.225 254 P C 0.692 177.981 177.300 -0.018 0.000 1.148 254 P CA 0.759 63.850 63.100 -0.013 0.000 0.779 254 P CB -0.009 31.693 31.700 0.003 0.000 0.780 255 N N -0.526 118.169 118.700 -0.008 0.000 2.268 255 N HA 0.086 5.466 4.740 1.066 0.000 0.204 255 N C 0.665 176.164 175.510 -0.018 0.000 1.124 255 N CA -0.068 52.977 53.050 -0.008 0.000 0.838 255 N CB 0.148 38.639 38.487 0.007 0.000 0.994 255 N HN -0.065 nan 8.380 nan 0.000 0.489 256 A N -0.094 122.705 122.820 -0.036 0.000 2.359 256 A HA 0.122 5.082 4.320 1.066 0.000 0.240 256 A C 1.607 179.146 177.584 -0.074 0.000 1.306 256 A CA 0.013 52.019 52.037 -0.051 0.000 0.898 256 A CB -0.384 18.575 19.000 -0.068 0.000 0.956 256 A HN 0.193 nan 8.150 nan 0.000 0.497 257 T N 1.277 115.793 114.554 -0.063 0.000 2.759 257 T HA -0.164 4.825 4.350 1.066 0.000 0.269 257 T C 1.658 176.321 174.700 -0.061 0.000 1.042 257 T CA 1.851 63.911 62.100 -0.067 0.000 1.140 257 T CB -0.251 68.588 68.868 -0.050 0.000 0.864 257 T HN 0.874 nan 8.240 nan 0.000 0.455 258 D N 0.921 121.293 120.400 -0.048 0.000 2.305 258 D HA -0.048 5.231 4.640 1.066 0.000 0.206 258 D C 2.063 178.329 176.300 -0.056 0.000 0.974 258 D CA 1.287 55.260 54.000 -0.045 0.000 0.871 258 D CB -0.786 39.996 40.800 -0.029 0.000 0.947 258 D HN 0.529 nan 8.370 nan 0.000 0.516 259 T N -1.319 113.205 114.554 -0.050 0.000 3.035 259 T HA 0.153 5.142 4.350 1.066 0.000 0.259 259 T C 2.335 177.005 174.700 -0.049 0.000 1.078 259 T CA -0.026 62.046 62.100 -0.046 0.000 1.132 259 T CB -0.486 68.377 68.868 -0.009 0.000 0.900 259 T HN 0.077 nan 8.240 nan 0.000 0.480 260 I N 2.705 123.238 120.570 -0.062 0.000 2.163 260 I HA -0.090 4.719 4.170 1.066 0.000 0.243 260 I C -0.228 175.868 176.117 -0.035 0.000 1.085 260 I CA 1.384 62.651 61.300 -0.056 0.000 1.347 260 I CB -0.977 36.903 38.000 -0.201 0.000 1.044 260 I HN 0.247 nan 8.210 nan 0.000 0.408 261 P HA -0.145 nan 4.420 nan 0.000 0.220 261 P C 1.909 179.091 177.300 -0.198 0.000 1.148 261 P CA 1.509 64.548 63.100 -0.101 0.000 0.803 261 P CB 0.026 31.672 31.700 -0.089 0.000 0.782 262 L N -0.845 120.209 121.223 -0.281 0.000 2.072 262 L HA -0.091 4.888 4.340 1.066 0.000 0.205 262 L C 2.777 179.159 176.870 -0.813 0.000 1.079 262 L CA 1.011 55.474 54.840 -0.627 0.000 0.752 262 L CB -1.018 40.721 42.059 -0.533 0.000 0.906 262 L HN -0.189 nan 8.230 nan 0.000 0.436 263 V N -0.004 119.707 119.914 -0.338 0.000 2.287 263 V HA -0.305 4.454 4.120 1.066 0.000 0.248 263 V C 2.635 178.644 176.094 -0.142 0.000 1.053 263 V CA 1.828 64.053 62.300 -0.126 0.000 1.027 263 V CB -0.605 31.327 31.823 0.181 0.000 0.646 263 V HN 0.404 nan 8.190 nan 0.000 0.447 264 R N 0.716 121.173 120.500 -0.072 0.000 2.073 264 R HA -0.155 4.825 4.340 1.066 0.000 0.234 264 R C 2.640 178.886 176.300 -0.091 0.000 1.134 264 R CA 1.790 57.866 56.100 -0.041 0.000 0.952 264 R CB -0.619 29.689 30.300 0.012 0.000 0.850 264 R HN 0.712 nan 8.270 nan 0.000 0.433 265 S N 0.395 115.995 115.700 -0.168 0.000 2.382 265 S HA -0.118 4.991 4.470 1.066 0.000 0.228 265 S C 1.771 176.405 174.600 0.058 0.000 1.027 265 S CA 0.998 59.145 58.200 -0.089 0.000 0.991 265 S CB -0.361 62.760 63.200 -0.133 0.000 0.823 265 S HN 0.139 nan 8.310 nan 0.000 0.469 266 F N 2.337 122.138 119.950 -0.248 0.000 2.367 266 F HA 0.419 5.584 4.527 1.063 0.000 0.298 266 F C 2.790 178.403 175.800 -0.312 0.000 1.094 266 F CA -0.438 57.323 58.000 -0.398 0.000 1.409 266 F CB -1.417 36.932 39.000 -1.084 0.000 1.064 266 F HN 0.359 nan 8.300 nan 0.000 0.528 267 A N 0.195 122.995 122.820 -0.034 0.000 1.970 267 A HA -0.137 4.822 4.320 1.066 0.000 0.216 267 A C 1.992 179.567 177.584 -0.015 0.000 1.170 267 A CA 1.408 53.446 52.037 0.003 0.000 0.645 267 A CB -0.940 18.050 19.000 -0.016 0.000 0.816 267 A HN 0.434 nan 8.150 nan 0.000 0.447 268 N N -0.986 117.707 118.700 -0.011 0.000 2.354 268 N HA 0.002 5.382 4.740 1.066 0.000 0.179 268 N C 0.177 175.682 175.510 -0.009 0.000 1.021 268 N CA 0.749 53.792 53.050 -0.012 0.000 0.887 268 N CB 0.135 38.617 38.487 -0.009 0.000 0.974 268 N HN 0.305 nan 8.380 nan 0.000 0.437 269 S N -0.829 114.876 115.700 0.008 0.000 2.677 269 S HA 0.215 5.325 4.470 1.066 0.000 0.283 269 S C 0.566 175.146 174.600 -0.033 0.000 1.159 269 S CA -0.727 57.466 58.200 -0.010 0.000 1.001 269 S CB 1.457 64.662 63.200 0.008 0.000 1.032 269 S HN -0.033 nan 8.310 nan 0.000 0.487 270 T N 3.836 118.315 114.554 -0.124 0.000 2.746 270 T HA -0.153 4.836 4.350 1.066 0.000 0.267 270 T C 1.803 176.284 174.700 -0.366 0.000 1.039 270 T CA 1.783 63.699 62.100 -0.307 0.000 1.142 270 T CB -0.284 68.309 68.868 -0.457 0.000 0.866 270 T HN 0.767 nan 8.240 nan 0.000 0.444 271 Q N 0.312 119.989 119.800 -0.205 0.000 2.061 271 Q HA -0.158 4.822 4.340 1.066 0.000 0.204 271 Q C 2.244 178.220 176.000 -0.041 0.000 0.984 271 Q CA 1.773 57.513 55.803 -0.105 0.000 0.846 271 Q CB -0.254 28.455 28.738 -0.049 0.000 0.902 271 Q HN 0.450 nan 8.270 nan 0.000 0.421 272 T N 0.873 115.425 114.554 -0.004 0.000 2.708 272 T HA -0.158 4.831 4.350 1.066 0.000 0.266 272 T C 1.298 175.977 174.700 -0.035 0.000 1.037 272 T CA 1.321 63.454 62.100 0.055 0.000 1.146 272 T CB -0.474 68.489 68.868 0.158 0.000 0.865 272 T HN 0.364 nan 8.240 nan 0.000 0.435 273 F N 1.800 121.585 119.950 -0.274 0.000 2.075 273 F HA -0.038 5.128 4.527 1.065 0.000 0.297 273 F C 1.795 177.498 175.800 -0.161 0.000 1.113 273 F CA 0.751 58.403 58.000 -0.580 0.000 1.218 273 F CB -0.863 37.927 39.000 -0.350 0.000 0.984 273 F HN 0.051 nan 8.300 nan 0.000 0.472 274 F N 1.398 121.040 119.950 -0.513 0.000 2.126 274 F HA -0.236 4.930 4.527 1.065 0.000 0.299 274 F C 2.399 177.970 175.800 -0.381 0.000 1.096 274 F CA 1.440 59.132 58.000 -0.514 0.000 1.255 274 F CB -1.704 37.144 39.000 -0.254 0.000 0.997 274 F HN 0.088 nan 8.300 nan 0.000 0.479 275 N N 0.239 118.896 118.700 -0.071 0.000 2.120 275 N HA -0.135 5.244 4.740 1.066 0.000 0.188 275 N C 2.053 177.459 175.510 -0.173 0.000 1.024 275 N CA 1.534 54.515 53.050 -0.116 0.000 0.852 275 N CB -0.748 37.707 38.487 -0.053 0.000 1.003 275 N HN 0.240 nan 8.380 nan 0.000 0.424 276 A N 0.133 122.842 122.820 -0.185 0.000 1.930 276 A HA -0.080 4.879 4.320 1.066 0.000 0.217 276 A C 2.089 179.566 177.584 -0.178 0.000 1.175 276 A CA 0.725 52.671 52.037 -0.152 0.000 0.627 276 A CB -0.805 18.078 19.000 -0.195 0.000 0.815 276 A HN 0.271 nan 8.150 nan 0.000 0.443 277 F N 0.597 120.282 119.950 -0.442 0.000 2.146 277 F HA -0.129 5.036 4.527 1.063 0.000 0.298 277 F C 2.241 177.757 175.800 -0.472 0.000 1.096 277 F CA 1.830 59.581 58.000 -0.416 0.000 1.275 277 F CB -0.242 38.371 39.000 -0.645 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.275 119.811 119.914 -0.630 0.000 2.343 278 V HA -0.298 4.462 4.120 1.066 0.000 0.247 278 V C 2.373 178.085 176.094 -0.636 0.000 1.051 278 V CA 2.240 63.919 62.300 -1.034 0.000 1.036 278 V CB -0.720 30.453 31.823 -1.082 0.000 0.654 278 V HN 0.401 nan 8.190 nan 0.000 0.451 279 E N 0.180 120.149 120.200 -0.385 0.000 2.051 279 E HA -0.228 4.762 4.350 1.066 0.000 0.192 279 E C 2.231 178.726 176.600 -0.176 0.000 0.991 279 E CA 1.443 57.712 56.400 -0.218 0.000 0.799 279 E CB -0.233 29.393 29.700 -0.124 0.000 0.748 279 E HN 0.566 nan 8.360 nan 0.000 0.449 280 A N 0.680 123.384 122.820 -0.194 0.000 1.930 280 A HA -0.139 4.821 4.320 1.066 0.000 0.217 280 A C 2.155 179.634 177.584 -0.175 0.000 1.175 280 A CA 1.178 53.141 52.037 -0.123 0.000 0.627 280 A CB -0.325 18.637 19.000 -0.063 0.000 0.815 280 A HN 0.266 nan 8.150 nan 0.000 0.443 281 M N 0.018 119.396 119.600 -0.371 0.000 2.117 281 M HA -0.133 4.987 4.480 1.066 0.000 0.262 281 M C 1.279 177.569 176.300 -0.016 0.000 1.065 281 M CA 1.487 56.632 55.300 -0.258 0.000 1.114 281 M CB -1.277 31.087 32.600 -0.394 0.000 1.361 281 M HN 0.336 nan 8.290 nan 0.000 0.408 282 D N -0.459 119.919 120.400 -0.037 0.000 2.178 282 D HA -0.078 5.201 4.640 1.066 0.000 0.202 282 D C 2.165 178.482 176.300 0.029 0.000 0.974 282 D CA 0.879 54.913 54.000 0.056 0.000 0.841 282 D CB -0.157 40.667 40.800 0.040 0.000 0.953 282 D HN 0.333 nan 8.370 nan 0.000 0.478 283 R N -0.051 120.445 120.500 -0.007 0.000 2.075 283 R HA 0.022 5.001 4.340 1.066 0.000 0.232 283 R C 2.331 178.635 176.300 0.007 0.000 1.126 283 R CA 0.781 56.882 56.100 0.001 0.000 0.963 283 R CB -0.220 30.082 30.300 0.003 0.000 0.858 283 R HN 0.183 nan 8.270 nan 0.000 0.435 284 M N -0.050 119.563 119.600 0.021 0.000 2.175 284 M HA -0.053 5.066 4.480 1.066 0.000 0.264 284 M C 1.816 178.129 176.300 0.021 0.000 1.063 284 M CA 1.999 57.316 55.300 0.028 0.000 1.119 284 M CB -0.118 32.529 32.600 0.077 0.000 1.377 284 M HN 0.241 nan 8.290 nan 0.000 0.415 285 G N -0.095 108.755 108.800 0.084 0.000 2.625 285 G HA2 -0.197 4.402 3.960 1.066 0.000 0.214 285 G HA3 -0.197 4.402 3.960 1.066 0.000 0.214 285 G C 1.054 175.991 174.900 0.062 0.000 1.132 285 G CA 0.577 45.759 45.100 0.135 0.000 0.782 285 G HN 0.672 nan 8.290 nan 0.000 0.538 286 N N -0.167 118.546 118.700 0.022 0.000 2.230 286 N HA 0.168 5.547 4.740 1.066 0.000 0.202 286 N C 0.047 175.537 175.510 -0.033 0.000 1.119 286 N CA -0.371 52.676 53.050 -0.005 0.000 0.851 286 N CB 0.122 38.607 38.487 -0.005 0.000 0.990 286 N HN 0.150 nan 8.380 nan 0.000 0.497 287 I N 2.276 122.817 120.570 -0.049 0.000 2.505 287 I HA -0.072 4.738 4.170 1.066 0.000 0.287 287 I C 0.634 176.700 176.117 -0.086 0.000 1.104 287 I CA 0.039 61.285 61.300 -0.089 0.000 1.387 287 I CB 0.590 38.507 38.000 -0.138 0.000 1.404 287 I HN 0.225 nan 8.210 nan 0.000 0.528 288 T N 4.566 119.068 114.554 -0.088 0.000 3.213 288 T HA -0.126 4.863 4.350 1.066 0.000 0.427 288 T C -1.967 172.690 174.700 -0.071 0.000 0.772 288 T CA -0.686 61.363 62.100 -0.084 0.000 2.150 288 T CB -1.823 66.978 68.868 -0.111 0.000 1.655 288 T HN 0.472 nan 8.240 nan 0.000 0.584 289 P HA 0.494 nan 4.420 nan 0.000 0.277 289 P C 0.245 177.518 177.300 -0.045 0.000 1.240 289 P CA -0.907 62.165 63.100 -0.047 0.000 0.798 289 P CB 1.012 32.682 31.700 -0.050 0.000 0.979 290 L N 2.036 123.237 121.223 -0.036 0.000 2.292 290 L HA 0.445 5.424 4.340 1.066 0.000 0.284 290 L C 1.163 178.007 176.870 -0.044 0.000 1.065 290 L CA -0.018 54.806 54.840 -0.027 0.000 0.806 290 L CB 1.258 43.313 42.059 -0.008 0.000 1.175 290 L HN 0.568 nan 8.230 nan 0.000 0.431 291 T N -1.102 113.428 114.554 -0.040 0.000 2.804 291 T HA 0.764 5.753 4.350 1.066 0.000 0.290 291 T C 0.489 175.178 174.700 -0.018 0.000 1.099 291 T CA -0.054 62.012 62.100 -0.057 0.000 1.011 291 T CB 1.805 70.632 68.868 -0.068 0.000 1.291 291 T HN 0.863 nan 8.240 nan 0.000 0.523 292 G N 1.306 110.105 108.800 -0.001 0.000 2.677 292 G HA2 -0.359 4.240 3.960 1.066 0.000 0.321 292 G HA3 -0.359 4.240 3.960 1.066 0.000 0.321 292 G C 1.007 175.934 174.900 0.046 0.000 1.181 292 G CA 1.918 47.040 45.100 0.038 0.000 0.965 292 G HN 2.080 nan 8.290 nan 0.000 0.548 293 T N -0.901 113.673 114.554 0.033 0.000 3.054 293 T HA 0.467 5.456 4.350 1.066 0.000 0.255 293 T C 0.853 175.570 174.700 0.027 0.000 1.035 293 T CA 1.002 63.123 62.100 0.035 0.000 0.941 293 T CB 0.289 69.175 68.868 0.030 0.000 1.026 293 T HN 0.739 nan 8.240 nan 0.000 0.533 294 Q N 1.543 121.354 119.800 0.019 0.000 2.352 294 Q HA 0.487 5.466 4.340 1.066 0.000 0.260 294 Q C 1.144 177.156 176.000 0.020 0.000 0.976 294 Q CA 0.484 56.296 55.803 0.015 0.000 0.881 294 Q CB 0.595 29.337 28.738 0.006 0.000 1.235 294 Q HN 0.597 nan 8.270 nan 0.000 0.419 295 G N 1.750 110.564 108.800 0.023 0.000 2.645 295 G HA2 -0.289 4.310 3.960 1.066 0.000 0.246 295 G HA3 -0.289 4.310 3.960 1.066 0.000 0.246 295 G C -0.678 174.242 174.900 0.033 0.000 1.322 295 G CA -0.122 44.995 45.100 0.027 0.000 0.898 295 G HN 0.645 nan 8.290 nan 0.000 0.573 296 Q N -1.495 118.327 119.800 0.037 0.000 2.882 296 Q HA 0.728 5.707 4.340 1.066 0.000 0.315 296 Q C -0.686 175.346 176.000 0.053 0.000 1.004 296 Q CA -1.161 54.668 55.803 0.044 0.000 0.777 296 Q CB 1.798 30.559 28.738 0.040 0.000 1.506 296 Q HN 0.447 nan 8.270 nan 0.000 0.489 297 I N 1.893 122.499 120.570 0.060 0.000 2.361 297 I HA 0.289 5.098 4.170 1.066 0.000 0.282 297 I C -0.117 176.030 176.117 0.050 0.000 1.075 297 I CA -0.289 61.052 61.300 0.069 0.000 1.205 297 I CB 0.518 38.570 38.000 0.086 0.000 1.406 297 I HN 0.535 nan 8.210 nan 0.000 0.481 298 R N 4.700 125.227 120.500 0.045 0.000 2.522 298 R HA 0.138 5.117 4.340 1.066 0.000 0.284 298 R C 0.837 177.156 176.300 0.031 0.000 1.032 298 R CA 0.027 56.150 56.100 0.038 0.000 1.049 298 R CB 0.844 31.169 30.300 0.040 0.000 0.956 298 R HN 0.581 nan 8.270 nan 0.000 0.422 299 L N 2.194 123.433 121.223 0.026 0.000 2.202 299 L HA 0.041 5.020 4.340 1.066 0.000 0.205 299 L C 0.792 177.672 176.870 0.017 0.000 1.083 299 L CA 0.461 55.312 54.840 0.018 0.000 0.790 299 L CB -0.206 41.863 42.059 0.016 0.000 0.942 299 L HN 0.562 nan 8.230 nan 0.000 0.452 300 N N -0.744 117.968 118.700 0.020 0.000 2.483 300 N HA 0.123 5.503 4.740 1.066 0.000 0.267 300 N C 0.432 175.959 175.510 0.028 0.000 0.998 300 N CA -0.447 52.615 53.050 0.020 0.000 0.918 300 N CB 1.461 39.957 38.487 0.015 0.000 1.215 300 N HN -0.024 nan 8.380 nan 0.000 0.500 301 c N 2.500 121.121 118.600 0.035 0.000 2.409 301 c HA -0.006 5.204 4.570 1.066 0.000 0.288 301 c C 2.101 176.217 174.090 0.044 0.000 1.395 301 c CA 0.473 56.830 56.329 0.047 0.000 1.792 301 c CB -0.916 41.632 42.510 0.063 0.000 1.847 301 c HN 0.692 nan 8.230 nan 0.000 0.534 302 R N 0.316 120.834 120.500 0.029 0.000 2.240 302 R HA 0.110 5.089 4.340 1.066 0.000 0.203 302 R C 0.470 176.784 176.300 0.023 0.000 1.011 302 R CA 0.624 56.731 56.100 0.012 0.000 1.007 302 R CB 0.082 30.377 30.300 -0.009 0.000 0.911 302 R HN 0.564 nan 8.270 nan 0.000 0.468 303 V N -3.443 116.490 119.914 0.031 0.000 2.971 303 V HA 0.447 5.207 4.120 1.066 0.000 0.309 303 V C -0.033 176.093 176.094 0.052 0.000 1.130 303 V CA -1.293 61.032 62.300 0.041 0.000 0.964 303 V CB 2.132 33.962 31.823 0.012 0.000 1.029 303 V HN -0.297 nan 8.190 nan 0.000 0.427 304 V N 3.150 123.109 119.914 0.075 0.000 2.811 304 V HA 0.232 4.992 4.120 1.066 0.000 0.302 304 V C 0.694 176.814 176.094 0.042 0.000 1.063 304 V CA -0.243 62.096 62.300 0.066 0.000 1.088 304 V CB 0.570 32.449 31.823 0.092 0.000 0.982 304 V HN 1.003 nan 8.190 nan 0.000 0.485 305 N N 2.300 121.021 118.700 0.036 0.000 2.441 305 N HA 0.206 5.585 4.740 1.066 0.000 0.251 305 N C 0.085 175.609 175.510 0.023 0.000 1.242 305 N CA 0.052 53.118 53.050 0.026 0.000 0.898 305 N CB 0.878 39.381 38.487 0.026 0.000 1.100 305 N HN 0.932 nan 8.380 nan 0.000 0.443 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.109 4.470 1.066 0.000 0.327 306 S CA 0.000 58.207 58.200 0.012 0.000 1.107 306 S CB 0.000 63.203 63.200 0.005 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517