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 2owm_1_D DATA FIRST_RESID 38 DATA SEQUENCE ANVRVVVRVR AFLPRELERN AECIVEMDPA TERTSLLVPQ XXXXXXXXXX DATA SEQUENCE XXXXXLEEKS FTFDKSFWSH NTEDEHYATQ EHVYDSLGEE FLDHNFEGYH DATA SEQUENCE TCIFAYGQTG SGKSYTMMGT PDQPGLIPRT CEDLFQRIAS AQDETPNISY DATA SEQUENCE NVKVSYFEVY NEHVRDLLAP VVPNKPPYYL KVRESPTEGP YVKDLTEVPV DATA SEQUENCE RGLEEIIRWM RIGDGSRTVA STKMNDTSSR SHAVFTIMLK QIHHXXXXXX DATA SEQUENCE TTERSSRIRL VDLAGSEXXX XXXXXXXXXX XXSNINKSLT TLGRVIAALA DATA SEQUENCE DXXXXXXXXX XXXXXXXXXX XXXXXXVVPY RDSVLTWLLK DSLGGNSKTA DATA SEQUENCE MIACISPTDY DETLSTLRYA DQAKRIRTRA VVNQVD 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 38 A HA 0.000 nan 4.320 nan 0.000 0.244 38 A C 0.000 177.574 177.584 -0.017 0.000 1.274 38 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 38 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 39 N N -0.920 117.774 118.700 -0.010 0.000 2.328 39 N HA 0.540 5.280 4.740 -0.000 0.000 0.299 39 N C -0.591 174.934 175.510 0.025 0.000 1.179 39 N CA -0.419 52.640 53.050 0.014 0.000 0.793 39 N CB 1.964 40.465 38.487 0.024 0.000 1.366 39 N HN 0.040 nan 8.380 nan 0.000 0.493 40 V N 1.270 121.214 119.914 0.051 0.000 2.557 40 V HA -0.029 4.091 4.120 -0.000 0.000 0.301 40 V C 0.986 177.118 176.094 0.062 0.000 1.026 40 V CA 0.355 62.699 62.300 0.073 0.000 1.137 40 V CB -0.274 31.608 31.823 0.097 0.000 0.917 40 V HN 0.501 nan 8.190 nan 0.000 0.484 41 R N 3.946 124.492 120.500 0.077 0.000 2.316 41 R HA 0.405 4.745 4.340 -0.000 0.000 0.314 41 R C -1.054 175.228 176.300 -0.031 0.000 1.069 41 R CA -0.228 55.901 56.100 0.048 0.000 0.959 41 R CB 0.813 31.173 30.300 0.100 0.000 0.987 41 R HN 0.580 nan 8.270 nan 0.000 0.446 42 V N 5.347 125.255 119.914 -0.009 0.000 2.495 42 V HA 0.485 4.605 4.120 -0.000 0.000 0.298 42 V C -0.525 175.514 176.094 -0.092 0.000 1.031 42 V CA -0.643 61.626 62.300 -0.052 0.000 0.871 42 V CB 1.821 33.700 31.823 0.093 0.000 0.988 42 V HN 0.518 nan 8.190 nan 0.000 0.432 43 V N 5.721 125.487 119.914 -0.247 0.000 2.932 43 V HA 0.763 4.883 4.120 -0.000 0.000 0.307 43 V C -0.943 174.933 176.094 -0.363 0.000 1.147 43 V CA -0.349 61.783 62.300 -0.280 0.000 0.951 43 V CB 2.616 34.326 31.823 -0.190 0.000 1.031 43 V HN 0.877 nan 8.190 nan 0.000 0.426 44 V N 4.039 123.719 119.914 -0.390 0.000 2.864 44 V HA 0.822 4.942 4.120 -0.000 0.000 0.314 44 V C -0.724 175.352 176.094 -0.030 0.000 1.073 44 V CA -0.848 61.276 62.300 -0.292 0.000 0.956 44 V CB 1.991 33.519 31.823 -0.492 0.000 1.023 44 V HN 1.024 nan 8.190 nan 0.000 0.435 45 R N 2.614 123.115 120.500 0.000 0.000 2.518 45 R HA 0.631 4.971 4.340 -0.000 0.000 0.296 45 R C -1.788 174.492 176.300 -0.033 0.000 1.080 45 R CA -0.442 55.694 56.100 0.061 0.000 0.922 45 R CB 2.032 32.376 30.300 0.073 0.000 1.184 45 R HN 0.908 nan 8.270 nan 0.000 0.445 46 V N 5.707 125.585 119.914 -0.059 0.000 2.583 46 V HA 0.421 4.541 4.120 -0.000 0.000 0.287 46 V C 0.033 175.990 176.094 -0.228 0.000 1.051 46 V CA -0.359 61.853 62.300 -0.145 0.000 1.010 46 V CB 1.025 32.743 31.823 -0.174 0.000 0.988 46 V HN 0.785 nan 8.190 nan 0.000 0.478 47 R N 6.303 126.685 120.500 -0.196 0.000 2.705 47 R HA 0.764 5.104 4.340 -0.000 0.000 0.246 47 R C -0.144 176.058 176.300 -0.163 0.000 1.142 47 R CA -0.023 55.952 56.100 -0.209 0.000 1.114 47 R CB 1.198 31.380 30.300 -0.197 0.000 1.256 47 R HN 0.759 nan 8.270 nan 0.000 0.536 48 A N 0.866 123.555 122.820 -0.218 0.000 2.366 48 A HA 0.419 4.739 4.320 -0.000 0.000 0.249 48 A C -0.416 177.090 177.584 -0.130 0.000 1.084 48 A CA -0.503 51.356 52.037 -0.296 0.000 0.794 48 A CB -0.144 18.691 19.000 -0.275 0.000 1.034 48 A HN 0.486 nan 8.150 nan 0.000 0.491 49 F N -0.207 119.702 119.950 -0.069 0.000 2.589 49 F HA 0.204 4.731 4.527 0.000 0.000 0.352 49 F C 0.762 176.536 175.800 -0.043 0.000 1.168 49 F CA 0.438 58.445 58.000 0.011 0.000 1.353 49 F CB 0.096 39.109 39.000 0.021 0.000 1.116 49 F HN 0.298 nan 8.300 nan 0.000 0.608 50 L N 4.708 126.058 121.223 0.212 0.000 2.334 50 L HA 0.232 4.572 4.340 -0.000 0.000 0.277 50 L C -1.418 175.485 176.870 0.054 0.000 1.075 50 L CA -1.743 53.147 54.840 0.083 0.000 0.804 50 L CB 0.882 42.972 42.059 0.052 0.000 1.174 50 L HN 0.383 nan 8.230 nan 0.000 0.438 51 P HA -0.295 nan 4.420 nan 0.000 0.217 51 P C 1.764 179.058 177.300 -0.011 0.000 1.158 51 P CA 2.300 65.401 63.100 0.001 0.000 0.887 51 P CB 0.059 31.758 31.700 -0.003 0.000 0.792 52 R N 0.538 121.036 120.500 -0.003 0.000 2.096 52 R HA -0.247 4.093 4.340 -0.000 0.000 0.240 52 R C 2.148 178.432 176.300 -0.026 0.000 1.139 52 R CA 2.444 58.538 56.100 -0.009 0.000 0.952 52 R CB -2.166 28.135 30.300 0.002 0.000 0.854 52 R HN 0.427 nan 8.270 nan 0.000 0.436 53 E N 0.407 120.593 120.200 -0.023 0.000 2.046 53 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 53 E C 2.231 178.712 176.600 -0.197 0.000 0.982 53 E CA 0.717 57.071 56.400 -0.077 0.000 0.800 53 E CB -0.134 29.566 29.700 -0.000 0.000 0.756 53 E HN 0.255 nan 8.360 nan 0.000 0.449 54 L N 1.705 122.825 121.223 -0.171 0.000 2.021 54 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 54 L C 2.246 179.027 176.870 -0.148 0.000 1.074 54 L CA 1.951 56.672 54.840 -0.198 0.000 0.760 54 L CB -0.669 41.351 42.059 -0.066 0.000 0.889 54 L HN 0.150 nan 8.230 nan 0.000 0.433 55 E N -0.381 119.764 120.200 -0.092 0.000 2.147 55 E HA -0.275 4.075 4.350 -0.000 0.000 0.199 55 E C 2.239 178.794 176.600 -0.075 0.000 1.005 55 E CA 1.421 57.782 56.400 -0.066 0.000 0.810 55 E CB -0.124 29.549 29.700 -0.045 0.000 0.736 55 E HN 0.277 nan 8.360 nan 0.000 0.460 56 R N -0.887 119.552 120.500 -0.100 0.000 2.317 56 R HA 0.010 4.350 4.340 -0.000 0.000 0.208 56 R C 0.427 176.667 176.300 -0.100 0.000 0.914 56 R CA 1.018 57.066 56.100 -0.086 0.000 1.060 56 R CB -0.560 29.695 30.300 -0.076 0.000 1.015 56 R HN 0.298 nan 8.270 nan 0.000 0.498 57 N N -0.050 118.569 118.700 -0.135 0.000 2.721 57 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 57 N C -0.037 175.365 175.510 -0.180 0.000 1.072 57 N CA 0.711 53.676 53.050 -0.141 0.000 0.710 57 N CB -2.063 36.383 38.487 -0.069 0.000 0.993 57 N HN 0.536 nan 8.380 nan 0.000 0.547 58 A N -0.534 122.111 122.820 -0.292 0.000 2.520 58 A HA 0.447 4.767 4.320 -0.000 0.000 0.245 58 A C 0.514 177.972 177.584 -0.209 0.000 1.072 58 A CA 0.526 52.416 52.037 -0.245 0.000 0.761 58 A CB 0.229 19.069 19.000 -0.267 0.000 1.004 58 A HN 0.843 nan 8.150 nan 0.000 0.499 59 E N 0.734 120.941 120.200 0.012 0.000 2.390 59 E HA 0.272 4.621 4.350 -0.000 0.000 0.261 59 E C -0.756 176.043 176.600 0.331 0.000 1.076 59 E CA -0.267 56.218 56.400 0.142 0.000 0.905 59 E CB 0.750 30.517 29.700 0.112 0.000 0.984 59 E HN 0.725 nan 8.360 nan 0.000 0.427 60 C N 5.549 125.080 119.300 0.385 0.000 2.322 60 C HA 0.489 4.949 4.460 -0.000 0.000 0.324 60 C C 0.791 175.885 174.990 0.173 0.000 1.284 60 C CA -0.518 58.687 59.018 0.310 0.000 1.606 60 C CB -1.053 26.862 27.740 0.292 0.000 2.251 60 C HN 0.759 nan 8.230 nan 0.000 0.502 61 I N 4.058 124.702 120.570 0.124 0.000 3.947 61 I HA 0.457 4.627 4.170 -0.000 0.000 0.327 61 I C -0.696 175.494 176.117 0.121 0.000 1.519 61 I CA -0.056 61.330 61.300 0.143 0.000 1.122 61 I CB 0.018 38.136 38.000 0.197 0.000 1.146 61 I HN 0.266 nan 8.210 nan 0.000 0.442 62 V N 1.708 121.675 119.914 0.088 0.000 2.604 62 V HA 0.478 4.598 4.120 -0.000 0.000 0.305 62 V C -0.541 175.695 176.094 0.236 0.000 1.043 62 V CA -0.341 62.036 62.300 0.128 0.000 0.888 62 V CB 2.145 34.007 31.823 0.065 0.000 0.995 62 V HN 0.362 nan 8.190 nan 0.000 0.429 63 E N 4.738 125.058 120.200 0.200 0.000 2.263 63 E HA 0.576 4.926 4.350 -0.000 0.000 0.268 63 E C -1.600 175.059 176.600 0.098 0.000 0.884 63 E CA -0.689 55.781 56.400 0.116 0.000 0.766 63 E CB 1.856 31.577 29.700 0.034 0.000 1.196 63 E HN 0.666 nan 8.360 nan 0.000 0.416 64 M N 3.158 122.778 119.600 0.033 0.000 2.294 64 M HA 0.242 4.722 4.480 -0.000 0.000 0.335 64 M C -0.506 175.748 176.300 -0.078 0.000 1.079 64 M CA -0.785 54.569 55.300 0.090 0.000 0.982 64 M CB 1.622 34.408 32.600 0.311 0.000 1.651 64 M HN 0.384 nan 8.290 nan 0.000 0.437 65 D N 5.200 125.568 120.400 -0.053 0.000 2.348 65 D HA 0.139 4.779 4.640 -0.000 0.000 0.253 65 D C -1.650 174.586 176.300 -0.107 0.000 1.161 65 D CA -1.503 52.419 54.000 -0.129 0.000 0.876 65 D CB 1.613 42.370 40.800 -0.072 0.000 1.160 65 D HN 0.322 nan 8.370 nan 0.000 0.459 66 P HA -0.193 nan 4.420 nan 0.000 0.214 66 P C 0.946 178.234 177.300 -0.021 0.000 1.163 66 P CA 1.310 64.348 63.100 -0.103 0.000 0.889 66 P CB 0.165 31.744 31.700 -0.202 0.000 0.790 67 A N 0.336 123.126 122.820 -0.051 0.000 1.836 67 A HA -0.054 4.266 4.320 -0.000 0.000 0.212 67 A C 1.344 178.920 177.584 -0.013 0.000 1.243 67 A CA 2.287 54.309 52.037 -0.025 0.000 0.620 67 A CB -2.059 16.919 19.000 -0.037 0.000 0.889 67 A HN 0.400 nan 8.150 nan 0.000 0.463 68 T N -1.364 113.177 114.554 -0.022 0.000 2.908 68 T HA 0.166 4.516 4.350 -0.000 0.000 0.325 68 T C 0.055 174.754 174.700 -0.002 0.000 1.092 68 T CA 0.646 62.736 62.100 -0.016 0.000 1.125 68 T CB 0.535 69.388 68.868 -0.024 0.000 1.016 68 T HN 0.332 nan 8.240 nan 0.000 0.550 69 E N 0.691 120.892 120.200 0.002 0.000 2.368 69 E HA 0.195 4.545 4.350 -0.000 0.000 0.283 69 E C 0.284 176.917 176.600 0.055 0.000 1.476 69 E CA -0.237 56.175 56.400 0.019 0.000 1.786 69 E CB -0.097 29.603 29.700 0.001 0.000 1.518 69 E HN 0.541 nan 8.360 nan 0.000 0.456 70 R N 0.094 120.625 120.500 0.052 0.000 2.474 70 R HA 0.441 4.781 4.340 -0.000 0.000 0.295 70 R C -0.830 175.552 176.300 0.138 0.000 0.980 70 R CA -0.308 55.832 56.100 0.066 0.000 0.934 70 R CB 1.165 31.474 30.300 0.016 0.000 1.101 70 R HN 0.054 nan 8.270 nan 0.000 0.469 71 T N 2.131 116.816 114.554 0.219 0.000 2.807 71 T HA 0.327 4.677 4.350 -0.000 0.000 0.279 71 T C -0.951 173.914 174.700 0.274 0.000 0.993 71 T CA -0.496 61.764 62.100 0.267 0.000 0.970 71 T CB 1.677 70.758 68.868 0.355 0.000 0.950 71 T HN 0.464 nan 8.240 nan 0.000 0.441 72 S N 2.809 118.631 115.700 0.203 0.000 2.478 72 S HA 0.486 4.956 4.470 -0.000 0.000 0.312 72 S C -0.587 174.120 174.600 0.178 0.000 1.094 72 S CA -0.699 57.607 58.200 0.177 0.000 1.081 72 S CB 0.738 63.998 63.200 0.100 0.000 1.007 72 S HN 0.576 nan 8.310 nan 0.000 0.475 73 L N 5.706 127.049 121.223 0.201 0.000 2.261 73 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 73 L C -0.717 176.270 176.870 0.194 0.000 1.059 73 L CA -0.416 54.518 54.840 0.157 0.000 0.816 73 L CB 0.258 42.369 42.059 0.088 0.000 1.191 73 L HN 0.569 nan 8.230 nan 0.000 0.431 74 L N 4.724 126.065 121.223 0.197 0.000 2.488 74 L HA 0.451 4.791 4.340 -0.000 0.000 0.249 74 L C -0.251 176.761 176.870 0.237 0.000 1.151 74 L CA -0.998 53.951 54.840 0.182 0.000 0.806 74 L CB 1.087 43.228 42.059 0.137 0.000 1.261 74 L HN 0.232 nan 8.230 nan 0.000 0.484 75 V N 0.404 120.402 119.914 0.140 0.000 2.347 75 V HA 0.282 4.402 4.120 -0.000 0.000 0.280 75 V C -2.048 174.072 176.094 0.044 0.000 1.021 75 V CA -1.537 60.804 62.300 0.068 0.000 0.847 75 V CB 0.705 32.544 31.823 0.028 0.000 0.990 75 V HN 0.610 nan 8.190 nan 0.000 0.444 76 P HA 0.373 nan 4.420 nan 0.000 0.267 76 P C 0.084 177.391 177.300 0.011 0.000 1.200 76 P CA 0.438 63.556 63.100 0.030 0.000 0.772 76 P CB 0.424 32.132 31.700 0.014 0.000 0.855 94 E N 0.331 120.545 120.200 0.023 0.000 2.409 94 E HA 0.226 4.576 4.350 -0.000 0.000 0.280 94 E C -1.387 175.307 176.600 0.157 0.000 1.079 94 E CA -0.533 55.915 56.400 0.081 0.000 0.840 94 E CB 2.496 32.240 29.700 0.074 0.000 1.309 94 E HN 0.051 nan 8.360 nan 0.000 0.447 95 E N 1.786 122.048 120.200 0.103 0.000 2.197 95 E HA 0.240 4.590 4.350 -0.000 0.000 0.281 95 E C -1.181 175.455 176.600 0.061 0.000 0.995 95 E CA -0.424 56.041 56.400 0.107 0.000 0.808 95 E CB 0.829 30.570 29.700 0.069 0.000 1.093 95 E HN 0.164 nan 8.360 nan 0.000 0.394 96 K N 2.209 122.655 120.400 0.076 0.000 2.426 96 K HA 0.382 4.702 4.320 -0.000 0.000 0.254 96 K C -0.836 175.723 176.600 -0.069 0.000 0.936 96 K CA -0.735 55.526 56.287 -0.044 0.000 0.801 96 K CB 2.149 34.657 32.500 0.014 0.000 1.139 96 K HN 0.253 nan 8.250 nan 0.000 0.424 97 S N 1.810 117.356 115.700 -0.258 0.000 2.608 97 S HA 0.756 5.226 4.470 -0.000 0.000 0.291 97 S C -0.890 173.415 174.600 -0.492 0.000 1.146 97 S CA -0.472 57.616 58.200 -0.187 0.000 1.043 97 S CB 0.387 63.505 63.200 -0.135 0.000 1.037 97 S HN 0.398 nan 8.310 nan 0.000 0.520 98 F N 0.016 119.899 119.950 -0.111 0.000 2.631 98 F HA 0.439 4.966 4.527 0.000 0.000 0.308 98 F C 0.035 175.585 175.800 -0.417 0.000 1.097 98 F CA -0.779 57.038 58.000 -0.306 0.000 0.952 98 F CB 2.154 40.950 39.000 -0.341 0.000 1.307 98 F HN 0.310 nan 8.300 nan 0.000 0.450 99 T N 1.856 116.150 114.554 -0.433 0.000 2.841 99 T HA 0.743 5.093 4.350 -0.000 0.000 0.283 99 T C -1.192 173.118 174.700 -0.650 0.000 1.000 99 T CA -0.553 61.328 62.100 -0.365 0.000 0.977 99 T CB 1.207 69.960 68.868 -0.193 0.000 0.979 99 T HN 0.261 nan 8.240 nan 0.000 0.446 100 F N 0.104 120.056 119.950 0.003 0.000 2.691 100 F HA 0.412 4.939 4.527 0.000 0.000 0.334 100 F C 1.264 177.021 175.800 -0.072 0.000 1.107 100 F CA -1.250 56.728 58.000 -0.036 0.000 0.991 100 F CB 1.004 39.963 39.000 -0.068 0.000 1.400 100 F HN 0.429 nan 8.300 nan 0.000 0.503 101 D N 0.115 120.603 120.400 0.146 0.000 2.117 101 D HA -0.048 4.592 4.640 -0.000 0.000 0.198 101 D C 0.067 176.323 176.300 -0.073 0.000 0.982 101 D CA 1.570 55.583 54.000 0.020 0.000 0.828 101 D CB 0.226 41.033 40.800 0.011 0.000 0.967 101 D HN 0.283 nan 8.370 nan 0.000 0.464 102 K N -0.058 120.233 120.400 -0.181 0.000 2.498 102 K HA 0.412 4.732 4.320 -0.000 0.000 0.254 102 K C -1.181 175.169 176.600 -0.416 0.000 0.933 102 K CA -0.471 55.562 56.287 -0.424 0.000 0.806 102 K CB 2.739 34.690 32.500 -0.915 0.000 1.301 102 K HN -0.262 nan 8.250 nan 0.000 0.432 103 S N 2.219 117.749 115.700 -0.285 0.000 2.532 103 S HA 0.397 4.867 4.470 -0.000 0.000 0.318 103 S C -0.883 173.672 174.600 -0.073 0.000 1.083 103 S CA -0.647 57.491 58.200 -0.103 0.000 1.131 103 S CB -0.135 63.133 63.200 0.113 0.000 0.973 103 S HN 0.281 nan 8.310 nan 0.000 0.468 104 F N 3.253 123.240 119.950 0.063 0.000 2.413 104 F HA 0.203 4.730 4.527 -0.000 0.000 0.359 104 F C 0.423 176.266 175.800 0.072 0.000 1.122 104 F CA -1.137 56.895 58.000 0.052 0.000 1.160 104 F CB 0.446 39.420 39.000 -0.044 0.000 1.146 104 F HN 0.624 nan 8.300 nan 0.000 0.514 105 W N 5.094 126.444 121.300 0.083 0.000 2.318 105 W HA 0.247 4.907 4.660 0.000 0.000 0.362 105 W C -0.549 175.816 176.519 -0.257 0.000 0.978 105 W CA -0.202 57.094 57.345 -0.082 0.000 1.509 105 W CB 1.051 30.369 29.460 -0.237 0.000 1.437 105 W HN 0.336 nan 8.180 nan 0.000 0.361 106 S N 3.195 118.554 115.700 -0.568 0.000 2.588 106 S HA -0.051 4.419 4.470 -0.000 0.000 0.245 106 S C 0.667 174.949 174.600 -0.530 0.000 1.021 106 S CA -0.209 57.557 58.200 -0.724 0.000 1.006 106 S CB -0.192 62.742 63.200 -0.443 0.000 0.830 106 S HN 0.656 nan 8.310 nan 0.000 0.468 107 H N 1.882 120.326 119.070 -1.043 0.000 2.486 107 H HA 0.322 4.878 4.556 -0.000 0.000 0.287 107 H C 0.590 175.623 175.328 -0.492 0.000 1.010 107 H CA 0.756 56.249 56.048 -0.925 0.000 1.324 107 H CB 0.364 29.235 29.762 -1.486 0.000 1.446 107 H HN 0.289 nan 8.280 nan 0.000 0.537 108 N N -0.352 118.140 118.700 -0.346 0.000 2.480 108 N HA 0.046 4.786 4.740 -0.000 0.000 0.289 108 N C -0.026 175.490 175.510 0.010 0.000 1.073 108 N CA 0.133 53.133 53.050 -0.083 0.000 0.885 108 N CB 1.719 40.258 38.487 0.088 0.000 1.421 108 N HN 0.127 nan 8.380 nan 0.000 0.503 109 T N 2.318 116.670 114.554 -0.336 0.000 2.620 109 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 109 T C 1.776 176.273 174.700 -0.338 0.000 1.044 109 T CA 2.730 64.410 62.100 -0.699 0.000 1.161 109 T CB -0.255 68.342 68.868 -0.452 0.000 0.862 109 T HN 0.803 nan 8.240 nan 0.000 0.438 110 E N 1.349 121.481 120.200 -0.113 0.000 2.511 110 E HA 0.022 4.372 4.350 -0.000 0.000 0.196 110 E C 0.609 177.258 176.600 0.081 0.000 1.066 110 E CA 0.284 56.674 56.400 -0.018 0.000 0.871 110 E CB -0.351 29.349 29.700 -0.000 0.000 0.863 110 E HN 0.473 nan 8.360 nan 0.000 0.520 111 D N -0.412 120.095 120.400 0.178 0.000 2.372 111 D HA 0.358 4.998 4.640 -0.000 0.000 0.243 111 D C 1.509 177.970 176.300 0.269 0.000 1.121 111 D CA 0.683 54.856 54.000 0.288 0.000 0.898 111 D CB 1.341 42.438 40.800 0.495 0.000 1.202 111 D HN 0.370 nan 8.370 nan 0.000 0.428 112 E N 1.505 121.866 120.200 0.269 0.000 2.204 112 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 112 E C 1.218 177.975 176.600 0.261 0.000 0.989 112 E CA 1.212 57.737 56.400 0.207 0.000 0.824 112 E CB -0.695 29.083 29.700 0.131 0.000 0.756 112 E HN 0.638 nan 8.360 nan 0.000 0.477 113 H N -2.268 116.879 119.070 0.128 0.000 2.503 113 H HA 0.272 4.828 4.556 0.000 0.000 0.296 113 H C -0.383 175.140 175.328 0.325 0.000 1.097 113 H CA -1.109 55.024 56.048 0.141 0.000 1.055 113 H CB -1.772 28.012 29.762 0.037 0.000 1.580 113 H HN 0.384 nan 8.280 nan 0.000 0.546 114 Y N 2.201 122.558 120.300 0.096 0.000 2.497 114 Y HA 0.351 4.901 4.550 -0.000 0.000 0.334 114 Y C -0.287 175.678 175.900 0.109 0.000 1.199 114 Y CA -0.197 57.976 58.100 0.122 0.000 1.425 114 Y CB 0.663 39.169 38.460 0.076 0.000 1.291 114 Y HN 0.403 nan 8.280 nan 0.000 0.562 115 A N 5.768 128.231 122.820 -0.595 0.000 2.277 115 A HA 0.440 4.760 4.320 -0.000 0.000 0.318 115 A C 0.003 177.378 177.584 -0.348 0.000 1.339 115 A CA -0.306 51.622 52.037 -0.182 0.000 0.875 115 A CB -0.463 18.602 19.000 0.108 0.000 1.158 115 A HN 0.831 nan 8.150 nan 0.000 0.514 116 T N 0.512 115.077 114.554 0.018 0.000 2.748 116 T HA 0.121 4.471 4.350 -0.000 0.000 0.304 116 T C 1.099 175.793 174.700 -0.009 0.000 1.041 116 T CA -0.369 61.801 62.100 0.116 0.000 1.033 116 T CB 0.505 69.492 68.868 0.198 0.000 0.995 116 T HN 0.599 nan 8.240 nan 0.000 0.536 117 Q N 0.430 120.236 119.800 0.010 0.000 2.077 117 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 117 Q C 2.304 178.270 176.000 -0.056 0.000 0.989 117 Q CA 2.332 58.089 55.803 -0.077 0.000 0.853 117 Q CB -0.455 28.216 28.738 -0.112 0.000 0.907 117 Q HN 1.002 nan 8.270 nan 0.000 0.418 118 E N 0.199 120.401 120.200 0.004 0.000 2.118 118 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 118 E C 1.959 178.611 176.600 0.086 0.000 0.992 118 E CA 1.352 57.775 56.400 0.038 0.000 0.804 118 E CB -0.289 29.440 29.700 0.048 0.000 0.741 118 E HN 0.493 nan 8.360 nan 0.000 0.458 119 H N -0.269 118.784 119.070 -0.028 0.000 2.436 119 H HA -0.019 4.537 4.556 -0.000 0.000 0.294 119 H C 1.860 177.108 175.328 -0.133 0.000 1.048 119 H CA 1.273 57.306 56.048 -0.024 0.000 1.353 119 H CB 0.422 30.186 29.762 0.004 0.000 1.414 119 H HN 0.184 nan 8.280 nan 0.000 0.536 120 V N 0.790 120.420 119.914 -0.473 0.000 2.307 120 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 120 V C 2.298 178.166 176.094 -0.377 0.000 1.045 120 V CA 1.952 63.771 62.300 -0.802 0.000 1.024 120 V CB -1.081 30.271 31.823 -0.784 0.000 0.651 120 V HN 0.430 nan 8.190 nan 0.000 0.449 121 Y N 1.491 121.632 120.300 -0.265 0.000 2.097 121 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 121 Y C 2.414 178.252 175.900 -0.103 0.000 1.152 121 Y CA 2.223 60.232 58.100 -0.151 0.000 1.136 121 Y CB -0.333 38.067 38.460 -0.100 0.000 0.975 121 Y HN 0.281 nan 8.280 nan 0.000 0.498 122 D N -0.652 119.811 120.400 0.105 0.000 2.182 122 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 122 D C 2.144 178.426 176.300 -0.028 0.000 0.986 122 D CA 1.475 55.534 54.000 0.099 0.000 0.847 122 D CB -0.118 40.769 40.800 0.145 0.000 0.942 122 D HN 0.367 nan 8.370 nan 0.000 0.467 123 S N -0.062 115.573 115.700 -0.108 0.000 2.310 123 S HA 0.031 4.501 4.470 -0.000 0.000 0.201 123 S C 1.975 176.537 174.600 -0.063 0.000 1.032 123 S CA -0.049 58.130 58.200 -0.036 0.000 0.993 123 S CB -0.515 62.731 63.200 0.076 0.000 0.970 123 S HN 0.161 nan 8.310 nan 0.000 0.446 124 L N 1.208 122.375 121.223 -0.093 0.000 1.948 124 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 124 L C 2.657 179.321 176.870 -0.343 0.000 1.074 124 L CA 1.837 56.547 54.840 -0.217 0.000 0.753 124 L CB -1.271 40.632 42.059 -0.260 0.000 0.888 124 L HN 0.546 nan 8.230 nan 0.000 0.432 125 G N -1.124 107.331 108.800 -0.574 0.000 2.469 125 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 125 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 125 G C 1.426 175.848 174.900 -0.796 0.000 1.150 125 G CA 1.037 45.637 45.100 -0.832 0.000 0.763 125 G HN 0.520 nan 8.290 nan 0.000 0.561 126 E N -0.017 119.629 120.200 -0.924 0.000 2.028 126 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 126 E C 2.330 178.906 176.600 -0.039 0.000 0.988 126 E CA 0.940 57.159 56.400 -0.302 0.000 0.799 126 E CB -0.230 29.448 29.700 -0.037 0.000 0.755 126 E HN 0.566 nan 8.360 nan 0.000 0.447 127 E N -0.402 119.804 120.200 0.010 0.000 2.097 127 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 127 E C 1.912 178.715 176.600 0.338 0.000 1.000 127 E CA 1.205 57.691 56.400 0.144 0.000 0.804 127 E CB -0.137 29.678 29.700 0.190 0.000 0.740 127 E HN 0.220 nan 8.360 nan 0.000 0.454 128 F N 0.874 120.880 119.950 0.093 0.000 2.171 128 F HA -0.168 4.359 4.527 0.000 0.000 0.300 128 F C 2.318 178.235 175.800 0.194 0.000 1.090 128 F CA 0.786 58.893 58.000 0.177 0.000 1.293 128 F CB -0.503 38.520 39.000 0.039 0.000 1.013 128 F HN 0.127 nan 8.300 nan 0.000 0.486 129 L N -0.226 121.167 121.223 0.284 0.000 2.093 129 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 129 L C 1.848 178.872 176.870 0.257 0.000 1.085 129 L CA 1.653 56.657 54.840 0.274 0.000 0.755 129 L CB -0.651 41.552 42.059 0.239 0.000 0.904 129 L HN 0.066 nan 8.230 nan 0.000 0.435 130 D N -0.589 119.874 120.400 0.105 0.000 2.106 130 D HA -0.251 4.389 4.640 -0.000 0.000 0.191 130 D C 1.920 178.269 176.300 0.081 0.000 0.997 130 D CA 1.640 55.642 54.000 0.002 0.000 0.834 130 D CB -0.396 40.328 40.800 -0.126 0.000 0.956 130 D HN 0.476 nan 8.370 nan 0.000 0.448 131 H N 0.271 119.410 119.070 0.115 0.000 2.352 131 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 131 H C 1.894 177.351 175.328 0.215 0.000 1.097 131 H CA 1.557 57.694 56.048 0.149 0.000 1.311 131 H CB -0.170 29.548 29.762 -0.074 0.000 1.377 131 H HN 0.201 nan 8.280 nan 0.000 0.504 132 N N -0.199 118.693 118.700 0.320 0.000 2.036 132 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 132 N C 1.228 176.837 175.510 0.165 0.000 1.037 132 N CA 1.434 54.619 53.050 0.224 0.000 0.855 132 N CB -0.243 38.382 38.487 0.229 0.000 1.033 132 N HN 0.147 nan 8.380 nan 0.000 0.423 133 F N 1.466 121.448 119.950 0.053 0.000 2.134 133 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 133 F C 2.179 177.978 175.800 -0.001 0.000 1.097 133 F CA 1.042 59.061 58.000 0.032 0.000 1.264 133 F CB -0.440 38.576 39.000 0.027 0.000 1.001 133 F HN 0.072 nan 8.300 nan 0.000 0.479 134 E N -0.645 119.665 120.200 0.184 0.000 2.273 134 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 134 E C 1.761 178.275 176.600 -0.143 0.000 1.002 134 E CA 0.857 57.287 56.400 0.051 0.000 0.828 134 E CB -0.462 29.329 29.700 0.152 0.000 0.747 134 E HN 0.545 nan 8.360 nan 0.000 0.491 135 G N -0.444 108.274 108.800 -0.138 0.000 2.168 135 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.197 135 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.197 135 G C -0.417 174.252 174.900 -0.385 0.000 0.997 135 G CA -0.344 44.588 45.100 -0.281 0.000 0.658 135 G HN 0.147 nan 8.290 nan 0.000 0.513 136 Y N 1.667 121.908 120.300 -0.098 0.000 2.334 136 Y HA 0.605 5.155 4.550 -0.000 0.000 0.328 136 Y C 1.034 176.843 175.900 -0.151 0.000 1.130 136 Y CA -0.993 57.009 58.100 -0.163 0.000 1.163 136 Y CB 0.770 39.176 38.460 -0.089 0.000 1.207 136 Y HN 0.169 nan 8.280 nan 0.000 0.471 137 H N 1.463 120.616 119.070 0.139 0.000 2.848 137 H HA 0.113 4.669 4.556 0.000 0.000 0.317 137 H C 0.018 175.385 175.328 0.066 0.000 1.046 137 H CA 0.154 56.247 56.048 0.076 0.000 1.470 137 H CB 0.918 30.706 29.762 0.043 0.000 1.483 137 H HN 0.559 nan 8.280 nan 0.000 0.548 138 T N 1.975 116.652 114.554 0.206 0.000 2.952 138 T HA 0.449 4.799 4.350 -0.000 0.000 0.286 138 T C -0.671 174.163 174.700 0.223 0.000 1.024 138 T CA -0.451 61.744 62.100 0.158 0.000 1.029 138 T CB 0.875 69.861 68.868 0.197 0.000 1.094 138 T HN 0.791 nan 8.240 nan 0.000 0.515 139 C N 4.401 123.882 119.300 0.301 0.000 2.924 139 C HA 0.596 5.056 4.460 -0.000 0.000 0.400 139 C C -1.687 173.486 174.990 0.306 0.000 1.032 139 C CA -0.789 58.399 59.018 0.284 0.000 1.236 139 C CB -0.928 26.951 27.740 0.231 0.000 1.660 139 C HN 0.845 nan 8.230 nan 0.000 0.510 140 I N 6.695 127.390 120.570 0.209 0.000 2.389 140 I HA 0.577 4.747 4.170 -0.000 0.000 0.288 140 I C -0.328 175.868 176.117 0.131 0.000 0.999 140 I CA -0.380 60.944 61.300 0.039 0.000 1.129 140 I CB 1.212 39.152 38.000 -0.101 0.000 1.288 140 I HN 0.665 nan 8.210 nan 0.000 0.444 141 F N 4.573 124.536 119.950 0.023 0.000 2.520 141 F HA 0.912 5.439 4.527 -0.000 0.000 0.322 141 F C -0.211 175.616 175.800 0.046 0.000 1.103 141 F CA -1.080 56.946 58.000 0.044 0.000 0.926 141 F CB 1.149 40.186 39.000 0.062 0.000 1.154 141 F HN 0.395 nan 8.300 nan 0.000 0.453 142 A N 3.624 126.559 122.820 0.192 0.000 2.301 142 A HA 0.597 4.917 4.320 -0.000 0.000 0.298 142 A C -1.834 175.922 177.584 0.286 0.000 1.185 142 A CA -0.459 51.655 52.037 0.128 0.000 0.830 142 A CB 0.213 19.262 19.000 0.082 0.000 1.112 142 A HN 0.917 nan 8.150 nan 0.000 0.508 143 Y N 1.198 121.563 120.300 0.108 0.000 2.492 143 Y HA 0.633 5.183 4.550 0.000 0.000 0.346 143 Y C 0.148 176.085 175.900 0.063 0.000 0.997 143 Y CA 0.229 58.415 58.100 0.144 0.000 1.025 143 Y CB 2.007 40.602 38.460 0.225 0.000 1.263 143 Y HN 1.381 nan 8.280 nan 0.000 0.454 144 G N 3.944 112.549 108.800 -0.325 0.000 2.336 144 G HA2 0.228 4.188 3.960 -0.000 0.000 0.300 144 G HA3 0.228 4.188 3.960 -0.000 0.000 0.300 144 G C -1.876 172.904 174.900 -0.200 0.000 1.375 144 G CA -0.769 44.257 45.100 -0.124 0.000 0.885 144 G HN 0.883 nan 8.290 nan 0.000 0.599 145 Q N -0.409 119.340 119.800 -0.085 0.000 2.524 145 Q HA 0.466 4.806 4.340 -0.000 0.000 0.246 145 Q C 0.009 175.975 176.000 -0.057 0.000 1.063 145 Q CA 0.189 55.952 55.803 -0.067 0.000 0.945 145 Q CB 0.172 28.898 28.738 -0.020 0.000 1.292 145 Q HN 0.365 nan 8.270 nan 0.000 0.518 146 T N 0.964 115.491 114.554 -0.044 0.000 2.928 146 T HA 0.291 4.641 4.350 -0.000 0.000 0.305 146 T C 1.095 175.787 174.700 -0.014 0.000 1.035 146 T CA 1.000 63.083 62.100 -0.028 0.000 1.145 146 T CB 0.135 68.991 68.868 -0.020 0.000 0.963 146 T HN 0.948 nan 8.240 nan 0.000 0.545 147 G N 2.123 110.918 108.800 -0.009 0.000 2.184 147 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 147 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 147 G C 1.142 176.034 174.900 -0.012 0.000 0.975 147 G CA 0.778 45.875 45.100 -0.005 0.000 0.642 147 G HN 0.988 nan 8.290 nan 0.000 0.536 148 S N -0.732 114.959 115.700 -0.016 0.000 2.527 148 S HA 0.421 4.891 4.470 -0.000 0.000 0.222 148 S C 1.996 176.581 174.600 -0.025 0.000 0.985 148 S CA 1.341 59.528 58.200 -0.023 0.000 0.921 148 S CB 0.342 63.529 63.200 -0.022 0.000 0.772 148 S HN 2.337 nan 8.310 nan 0.000 0.529 149 G N 1.104 109.901 108.800 -0.004 0.000 2.151 149 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.140 149 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.140 149 G C 0.603 175.546 174.900 0.070 0.000 1.020 149 G CA 0.090 45.207 45.100 0.028 0.000 0.688 149 G HN 0.431 nan 8.290 nan 0.000 0.500 150 K N 0.677 121.102 120.400 0.042 0.000 2.001 150 K HA -0.085 4.235 4.320 -0.000 0.000 0.214 150 K C 2.600 179.232 176.600 0.055 0.000 1.050 150 K CA 1.920 58.233 56.287 0.044 0.000 0.934 150 K CB -0.316 32.204 32.500 0.033 0.000 0.718 150 K HN 0.291 nan 8.250 nan 0.000 0.443 151 S N 0.355 116.091 115.700 0.060 0.000 2.382 151 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 151 S C 1.791 176.426 174.600 0.058 0.000 1.027 151 S CA 1.105 59.336 58.200 0.053 0.000 0.991 151 S CB -0.390 62.842 63.200 0.053 0.000 0.823 151 S HN 0.323 nan 8.310 nan 0.000 0.469 152 Y N 2.489 122.772 120.300 -0.028 0.000 2.145 152 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 152 Y C 2.640 178.510 175.900 -0.050 0.000 1.145 152 Y CA 1.815 59.893 58.100 -0.037 0.000 1.148 152 Y CB -0.871 37.566 38.460 -0.039 0.000 0.981 152 Y HN 0.135 nan 8.280 nan 0.000 0.507 153 T N 0.780 115.370 114.554 0.060 0.000 2.674 153 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 153 T C 1.867 176.499 174.700 -0.112 0.000 1.039 153 T CA 1.897 63.971 62.100 -0.043 0.000 1.150 153 T CB -0.219 68.649 68.868 -0.001 0.000 0.864 153 T HN 0.244 nan 8.240 nan 0.000 0.427 154 M N -0.440 119.119 119.600 -0.067 0.000 2.175 154 M HA 0.115 4.595 4.480 -0.000 0.000 0.264 154 M C 2.111 178.343 176.300 -0.113 0.000 1.063 154 M CA 1.532 56.792 55.300 -0.068 0.000 1.119 154 M CB -0.750 31.837 32.600 -0.023 0.000 1.377 154 M HN 0.312 nan 8.290 nan 0.000 0.415 155 M N -1.295 118.227 119.600 -0.130 0.000 2.902 155 M HA 0.442 4.922 4.480 -0.000 0.000 0.225 155 M C 0.566 176.753 176.300 -0.189 0.000 1.711 155 M CA 1.456 56.667 55.300 -0.148 0.000 1.213 155 M CB 0.440 32.984 32.600 -0.094 0.000 1.265 155 M HN 0.330 nan 8.290 nan 0.000 0.577 156 G N 0.147 108.811 108.800 -0.227 0.000 2.710 156 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.668 156 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.668 156 G C -0.479 174.319 174.900 -0.171 0.000 1.320 156 G CA -0.391 44.499 45.100 -0.349 0.000 0.860 156 G HN 0.539 nan 8.290 nan 0.000 0.538 157 T N 2.640 117.109 114.554 -0.141 0.000 2.813 157 T HA 0.457 4.807 4.350 -0.000 0.000 0.297 157 T C -0.513 174.152 174.700 -0.059 0.000 1.036 157 T CA -0.042 62.035 62.100 -0.038 0.000 1.044 157 T CB 1.018 69.900 68.868 0.024 0.000 0.993 157 T HN 0.447 nan 8.240 nan 0.000 0.535 158 P HA -0.191 nan 4.420 nan 0.000 0.219 158 P C 0.769 178.044 177.300 -0.041 0.000 1.161 158 P CA 1.612 64.691 63.100 -0.036 0.000 0.909 158 P CB 0.055 31.742 31.700 -0.022 0.000 0.793 159 D N -3.557 116.825 120.400 -0.030 0.000 2.440 159 D HA 0.029 4.669 4.640 -0.000 0.000 0.216 159 D C 0.516 176.799 176.300 -0.027 0.000 1.150 159 D CA 0.157 54.140 54.000 -0.029 0.000 0.832 159 D CB -0.454 40.336 40.800 -0.017 0.000 0.992 159 D HN 0.040 nan 8.370 nan 0.000 0.502 160 Q N 1.709 121.483 119.800 -0.042 0.000 2.769 160 Q HA 0.283 4.623 4.340 -0.000 0.000 0.375 160 Q C -2.559 173.324 176.000 -0.195 0.000 0.996 160 Q CA -1.734 54.022 55.803 -0.078 0.000 1.042 160 Q CB 1.580 30.318 28.738 0.000 0.000 1.329 160 Q HN 0.291 nan 8.270 nan 0.000 0.427 161 P HA 0.117 nan 4.420 nan 0.000 0.271 161 P C 0.286 177.454 177.300 -0.220 0.000 1.216 161 P CA 0.234 63.226 63.100 -0.181 0.000 0.776 161 P CB 1.384 33.005 31.700 -0.131 0.000 0.881 162 G N 1.649 110.305 108.800 -0.241 0.000 2.583 162 G HA2 0.245 4.205 3.960 -0.000 0.000 0.280 162 G HA3 0.245 4.205 3.960 -0.000 0.000 0.280 162 G C 0.818 175.648 174.900 -0.117 0.000 1.376 162 G CA -0.682 44.283 45.100 -0.224 0.000 1.043 162 G HN 0.352 nan 8.290 nan 0.000 0.538 163 L N -0.514 120.670 121.223 -0.066 0.000 2.058 163 L HA -0.241 4.099 4.340 -0.000 0.000 0.226 163 L C 2.807 179.707 176.870 0.050 0.000 1.089 163 L CA 1.715 56.580 54.840 0.041 0.000 0.799 163 L CB -0.683 41.365 42.059 -0.018 0.000 0.900 163 L HN 0.567 nan 8.230 nan 0.000 0.442 164 I N -0.746 119.789 120.570 -0.058 0.000 2.094 164 I HA -0.190 3.980 4.170 -0.000 0.000 0.234 164 I C -0.436 175.631 176.117 -0.084 0.000 1.063 164 I CA 1.429 62.665 61.300 -0.107 0.000 1.328 164 I CB -1.462 36.330 38.000 -0.346 0.000 1.058 164 I HN 0.222 nan 8.210 nan 0.000 0.400 165 P HA -0.207 nan 4.420 nan 0.000 0.216 165 P C 1.340 178.594 177.300 -0.076 0.000 1.153 165 P CA 1.622 64.669 63.100 -0.089 0.000 0.858 165 P CB -0.314 31.321 31.700 -0.109 0.000 0.789 166 R N -0.509 119.911 120.500 -0.132 0.000 2.133 166 R HA -0.129 4.211 4.340 -0.000 0.000 0.245 166 R C 2.356 178.487 176.300 -0.281 0.000 1.137 166 R CA 1.973 57.886 56.100 -0.312 0.000 0.947 166 R CB -2.109 27.950 30.300 -0.401 0.000 0.865 166 R HN 0.264 nan 8.270 nan 0.000 0.437 167 T N 1.110 115.707 114.554 0.073 0.000 2.643 167 T HA -0.166 4.184 4.350 -0.000 0.000 0.264 167 T C 2.198 177.003 174.700 0.174 0.000 1.045 167 T CA 1.642 63.907 62.100 0.275 0.000 1.155 167 T CB -0.430 68.630 68.868 0.320 0.000 0.863 167 T HN 0.336 nan 8.240 nan 0.000 0.420 168 C N 1.347 120.747 119.300 0.168 0.000 2.367 168 C HA -0.145 4.315 4.460 -0.000 0.000 0.276 168 C C 2.729 177.869 174.990 0.250 0.000 1.195 168 C CA 1.077 60.240 59.018 0.243 0.000 1.756 168 C CB -1.166 26.722 27.740 0.247 0.000 2.046 168 C HN 0.677 nan 8.230 nan 0.000 0.453 169 E N 0.714 120.986 120.200 0.119 0.000 2.070 169 E HA -0.308 4.042 4.350 -0.000 0.000 0.197 169 E C 1.759 178.407 176.600 0.080 0.000 1.004 169 E CA 2.042 58.492 56.400 0.084 0.000 0.805 169 E CB -0.369 29.313 29.700 -0.030 0.000 0.744 169 E HN 0.585 nan 8.360 nan 0.000 0.451 170 D N 0.261 120.666 120.400 0.007 0.000 2.092 170 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 170 D C 2.148 178.481 176.300 0.055 0.000 0.994 170 D CA 1.191 55.194 54.000 0.006 0.000 0.828 170 D CB -0.449 40.381 40.800 0.050 0.000 0.963 170 D HN 0.235 nan 8.370 nan 0.000 0.450 171 L N 0.164 121.454 121.223 0.110 0.000 1.965 171 L HA -0.211 4.129 4.340 -0.000 0.000 0.226 171 L C 2.352 179.229 176.870 0.012 0.000 1.083 171 L CA 1.982 56.879 54.840 0.095 0.000 0.790 171 L CB -1.672 40.396 42.059 0.015 0.000 0.898 171 L HN 0.111 nan 8.230 nan 0.000 0.439 172 F N -0.187 119.803 119.950 0.067 0.000 2.161 172 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 172 F C 2.663 178.462 175.800 -0.002 0.000 1.089 172 F CA 1.734 59.751 58.000 0.029 0.000 1.282 172 F CB -0.438 38.581 39.000 0.030 0.000 1.010 172 F HN 0.304 nan 8.300 nan 0.000 0.485 173 Q N -0.133 119.761 119.800 0.156 0.000 2.061 173 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 173 Q C 2.339 178.341 176.000 0.003 0.000 0.984 173 Q CA 1.678 57.517 55.803 0.060 0.000 0.846 173 Q CB -0.204 28.547 28.738 0.021 0.000 0.902 173 Q HN 0.392 nan 8.270 nan 0.000 0.421 174 R N 0.239 120.712 120.500 -0.044 0.000 2.082 174 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 174 R C 2.362 178.598 176.300 -0.108 0.000 1.136 174 R CA 1.546 57.570 56.100 -0.126 0.000 0.935 174 R CB -0.608 29.502 30.300 -0.317 0.000 0.842 174 R HN 0.309 nan 8.270 nan 0.000 0.430 175 I N 0.979 121.467 120.570 -0.137 0.000 2.151 175 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 175 I C 2.755 178.807 176.117 -0.107 0.000 1.080 175 I CA 1.543 62.645 61.300 -0.331 0.000 1.339 175 I CB -0.705 37.105 38.000 -0.317 0.000 1.039 175 I HN 0.236 nan 8.210 nan 0.000 0.409 176 A N 0.340 123.167 122.820 0.011 0.000 1.865 176 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 176 A C 2.513 180.116 177.584 0.032 0.000 1.191 176 A CA 2.452 54.520 52.037 0.051 0.000 0.623 176 A CB -0.888 18.153 19.000 0.069 0.000 0.826 176 A HN 0.408 nan 8.150 nan 0.000 0.444 177 S N -0.374 115.332 115.700 0.010 0.000 2.382 177 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 177 S C 2.219 176.836 174.600 0.029 0.000 1.027 177 S CA 1.145 59.353 58.200 0.012 0.000 0.991 177 S CB -0.418 62.778 63.200 -0.007 0.000 0.823 177 S HN 0.805 nan 8.310 nan 0.000 0.469 178 A N 0.758 123.596 122.820 0.030 0.000 2.015 178 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 178 A C 1.951 179.620 177.584 0.141 0.000 1.163 178 A CA 1.134 53.226 52.037 0.091 0.000 0.646 178 A CB -0.538 18.538 19.000 0.127 0.000 0.806 178 A HN 0.387 nan 8.150 nan 0.000 0.448 179 Q N 0.070 119.948 119.800 0.129 0.000 2.449 179 Q HA -0.178 4.162 4.340 -0.000 0.000 0.214 179 Q C 0.705 176.766 176.000 0.101 0.000 0.986 179 Q CA 1.843 57.731 55.803 0.142 0.000 0.893 179 Q CB -0.018 28.790 28.738 0.117 0.000 0.940 179 Q HN 0.881 nan 8.270 nan 0.000 0.477 180 D N -2.015 118.432 120.400 0.079 0.000 2.753 180 D HA -0.102 4.538 4.640 -0.000 0.000 0.291 180 D C 0.941 177.273 176.300 0.053 0.000 1.075 180 D CA 0.632 54.667 54.000 0.059 0.000 0.946 180 D CB -1.052 39.775 40.800 0.045 0.000 1.376 180 D HN 0.476 nan 8.370 nan 0.000 0.482 181 E N 1.693 121.923 120.200 0.050 0.000 2.510 181 E HA -0.086 4.264 4.350 -0.000 0.000 0.202 181 E C -0.429 176.197 176.600 0.044 0.000 1.072 181 E CA 0.861 57.285 56.400 0.040 0.000 0.883 181 E CB -0.567 29.151 29.700 0.030 0.000 0.818 181 E HN 0.251 nan 8.360 nan 0.000 0.548 182 T N -2.314 112.277 114.554 0.061 0.000 3.917 182 T HA 0.104 4.454 4.350 -0.000 0.000 0.205 182 T C -2.335 172.411 174.700 0.076 0.000 0.545 182 T CA -0.997 61.137 62.100 0.056 0.000 0.920 182 T CB 0.936 69.827 68.868 0.038 0.000 1.300 182 T HN -0.160 nan 8.240 nan 0.000 0.505 183 P HA -0.103 nan 4.420 nan 0.000 0.220 183 P C 1.757 179.097 177.300 0.066 0.000 1.148 183 P CA 1.546 64.689 63.100 0.070 0.000 0.803 183 P CB -0.353 31.383 31.700 0.059 0.000 0.782 184 N N 0.804 119.551 118.700 0.079 0.000 2.322 184 N HA -0.129 4.611 4.740 -0.000 0.000 0.189 184 N C 1.069 176.646 175.510 0.112 0.000 1.012 184 N CA 1.104 54.234 53.050 0.134 0.000 0.880 184 N CB -0.665 37.938 38.487 0.193 0.000 0.967 184 N HN 0.190 nan 8.380 nan 0.000 0.439 185 I N 0.243 120.825 120.570 0.020 0.000 2.474 185 I HA 0.424 4.594 4.170 -0.000 0.000 0.294 185 I C -0.412 175.577 176.117 -0.214 0.000 1.005 185 I CA -0.695 60.534 61.300 -0.120 0.000 1.113 185 I CB 1.924 39.807 38.000 -0.195 0.000 1.289 185 I HN 0.342 nan 8.210 nan 0.000 0.436 186 S N 5.133 120.626 115.700 -0.345 0.000 2.536 186 S HA 0.738 5.208 4.470 -0.000 0.000 0.287 186 S C -1.233 173.101 174.600 -0.444 0.000 1.101 186 S CA -0.632 57.404 58.200 -0.274 0.000 0.950 186 S CB 1.830 64.986 63.200 -0.074 0.000 1.056 186 S HN 0.430 nan 8.310 nan 0.000 0.481 187 Y N 1.015 121.309 120.300 -0.009 0.000 2.654 187 Y HA 0.734 5.284 4.550 -0.000 0.000 0.327 187 Y C 0.655 176.533 175.900 -0.037 0.000 1.122 187 Y CA -1.015 57.056 58.100 -0.049 0.000 1.227 187 Y CB 1.306 39.729 38.460 -0.063 0.000 1.370 187 Y HN 0.801 nan 8.280 nan 0.000 0.528 188 N N 0.052 118.830 118.700 0.131 0.000 3.429 188 N HA 0.197 4.937 4.740 -0.000 0.000 0.221 188 N C -2.453 173.063 175.510 0.009 0.000 1.195 188 N CA -0.014 53.070 53.050 0.056 0.000 0.938 188 N CB 1.183 39.679 38.487 0.016 0.000 1.609 188 N HN 0.393 nan 8.380 nan 0.000 0.704 189 V N 3.525 123.455 119.914 0.027 0.000 2.459 189 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 189 V C 0.049 176.155 176.094 0.020 0.000 1.029 189 V CA -0.552 61.746 62.300 -0.003 0.000 0.874 189 V CB 1.796 33.598 31.823 -0.035 0.000 0.985 189 V HN 0.365 nan 8.190 nan 0.000 0.438 190 K N 3.058 123.443 120.400 -0.025 0.000 2.385 190 K HA 0.837 5.157 4.320 -0.000 0.000 0.248 190 K C -1.368 175.182 176.600 -0.082 0.000 0.955 190 K CA -0.862 55.393 56.287 -0.053 0.000 0.816 190 K CB 3.036 35.496 32.500 -0.067 0.000 1.250 190 K HN 0.430 nan 8.250 nan 0.000 0.434 191 V N 0.645 120.488 119.914 -0.120 0.000 2.823 191 V HA 0.670 4.790 4.120 -0.000 0.000 0.312 191 V C -1.003 174.992 176.094 -0.165 0.000 1.072 191 V CA -0.211 61.977 62.300 -0.187 0.000 0.937 191 V CB 1.915 33.654 31.823 -0.140 0.000 1.013 191 V HN 1.012 nan 8.190 nan 0.000 0.430 192 S N 5.384 120.982 115.700 -0.171 0.000 2.661 192 S HA 0.843 5.313 4.470 -0.000 0.000 0.285 192 S C -1.649 173.015 174.600 0.106 0.000 1.138 192 S CA -0.539 57.663 58.200 0.004 0.000 0.855 192 S CB 2.250 65.478 63.200 0.048 0.000 1.136 192 S HN 1.340 nan 8.310 nan 0.000 0.484 193 Y N 1.480 121.867 120.300 0.146 0.000 2.314 193 Y HA 0.533 5.083 4.550 0.000 0.000 0.317 193 Y C -1.966 174.119 175.900 0.309 0.000 1.234 193 Y CA -2.077 56.145 58.100 0.204 0.000 1.111 193 Y CB 1.092 39.711 38.460 0.264 0.000 1.283 193 Y HN 0.972 nan 8.280 nan 0.000 0.418 194 F N 3.242 123.395 119.950 0.339 0.000 2.631 194 F HA 0.812 5.339 4.527 -0.000 0.000 0.308 194 F C -1.339 174.546 175.800 0.142 0.000 1.097 194 F CA -1.058 57.033 58.000 0.152 0.000 0.952 194 F CB 1.862 40.951 39.000 0.149 0.000 1.307 194 F HN 0.395 nan 8.300 nan 0.000 0.450 195 E N 2.036 122.330 120.200 0.157 0.000 2.227 195 E HA 0.635 4.985 4.350 -0.000 0.000 0.268 195 E C -1.844 174.955 176.600 0.331 0.000 0.907 195 E CA -1.262 55.205 56.400 0.112 0.000 0.786 195 E CB 2.587 32.327 29.700 0.067 0.000 1.191 195 E HN 0.876 nan 8.360 nan 0.000 0.411 196 V N 3.484 123.588 119.914 0.316 0.000 2.547 196 V HA 0.622 4.742 4.120 -0.000 0.000 0.299 196 V C -1.765 174.535 176.094 0.344 0.000 1.040 196 V CA -0.417 62.091 62.300 0.347 0.000 0.913 196 V CB 1.010 33.032 31.823 0.332 0.000 0.992 196 V HN 0.802 nan 8.190 nan 0.000 0.449 197 Y N 5.110 125.487 120.300 0.128 0.000 2.358 197 Y HA 0.396 4.946 4.550 -0.000 0.000 0.324 197 Y C 0.127 176.051 175.900 0.040 0.000 1.123 197 Y CA -0.481 57.662 58.100 0.071 0.000 1.067 197 Y CB 1.101 39.607 38.460 0.077 0.000 1.230 197 Y HN 0.952 nan 8.280 nan 0.000 0.429 198 N N 4.072 122.480 118.700 -0.488 0.000 2.740 198 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 198 N C -0.696 174.597 175.510 -0.361 0.000 1.062 198 N CA 1.381 54.210 53.050 -0.368 0.000 0.704 198 N CB -0.466 37.899 38.487 -0.202 0.000 0.968 198 N HN 0.713 nan 8.380 nan 0.000 0.547 199 E N -2.326 117.722 120.200 -0.253 0.000 2.403 199 E HA -0.285 4.065 4.350 -0.000 0.000 0.241 199 E C -0.615 175.705 176.600 -0.467 0.000 1.201 199 E CA 1.285 57.519 56.400 -0.277 0.000 0.721 199 E CB -2.086 27.443 29.700 -0.285 0.000 1.245 199 E HN 0.760 nan 8.360 nan 0.000 0.392 200 H N -1.920 117.062 119.070 -0.147 0.000 2.524 200 H HA 0.565 5.121 4.556 -0.000 0.000 0.353 200 H C -0.200 175.105 175.328 -0.038 0.000 1.136 200 H CA -0.958 54.913 56.048 -0.294 0.000 1.193 200 H CB 1.764 31.018 29.762 -0.847 0.000 1.558 200 H HN -0.104 nan 8.280 nan 0.000 0.515 201 V N 4.151 124.164 119.914 0.165 0.000 2.394 201 V HA 0.412 4.532 4.120 -0.000 0.000 0.282 201 V C -0.204 176.094 176.094 0.341 0.000 1.031 201 V CA -0.596 61.858 62.300 0.256 0.000 0.881 201 V CB 0.983 32.884 31.823 0.130 0.000 0.982 201 V HN 0.763 nan 8.190 nan 0.000 0.451 202 R N 2.260 122.979 120.500 0.366 0.000 2.750 202 R HA 0.593 4.933 4.340 -0.000 0.000 0.281 202 R C -1.309 175.154 176.300 0.272 0.000 0.972 202 R CA -0.930 55.364 56.100 0.323 0.000 0.912 202 R CB 1.896 32.386 30.300 0.318 0.000 1.187 202 R HN 0.485 nan 8.270 nan 0.000 0.464 203 D N 2.887 123.421 120.400 0.223 0.000 2.393 203 D HA 0.112 4.752 4.640 -0.000 0.000 0.232 203 D C 0.823 177.221 176.300 0.164 0.000 1.192 203 D CA -0.301 53.823 54.000 0.205 0.000 0.882 203 D CB 0.805 41.705 40.800 0.166 0.000 1.038 203 D HN 0.604 nan 8.370 nan 0.000 0.499 204 L N 3.097 124.406 121.223 0.143 0.000 2.265 204 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 204 L C 1.926 178.875 176.870 0.131 0.000 1.117 204 L CA 0.702 55.568 54.840 0.044 0.000 0.782 204 L CB -0.056 41.875 42.059 -0.214 0.000 0.914 204 L HN 0.488 nan 8.230 nan 0.000 0.441 205 L N -0.819 120.534 121.223 0.216 0.000 2.529 205 L HA 0.211 4.551 4.340 -0.000 0.000 0.223 205 L C 1.342 178.362 176.870 0.250 0.000 1.113 205 L CA -0.496 54.528 54.840 0.306 0.000 0.861 205 L CB -0.339 41.908 42.059 0.313 0.000 1.012 205 L HN 0.087 nan 8.230 nan 0.000 0.461 206 A N 1.777 124.693 122.820 0.161 0.000 2.498 206 A HA 0.313 4.633 4.320 -0.000 0.000 0.239 206 A C -1.940 175.707 177.584 0.105 0.000 1.068 206 A CA -0.876 51.229 52.037 0.112 0.000 0.766 206 A CB -0.587 18.459 19.000 0.077 0.000 1.003 206 A HN -0.007 nan 8.150 nan 0.000 0.497 207 P HA 0.217 nan 4.420 nan 0.000 0.269 207 P C -0.373 176.943 177.300 0.026 0.000 1.215 207 P CA 0.039 63.175 63.100 0.060 0.000 0.780 207 P CB 0.828 32.553 31.700 0.042 0.000 0.898 208 V N 2.886 122.811 119.914 0.018 0.000 2.581 208 V HA 0.512 4.632 4.120 -0.000 0.000 0.303 208 V C -0.881 175.207 176.094 -0.009 0.000 1.041 208 V CA -0.750 61.550 62.300 0.001 0.000 0.907 208 V CB 2.146 33.971 31.823 0.003 0.000 0.994 208 V HN 0.262 nan 8.190 nan 0.000 0.442 209 V N 7.862 127.765 119.914 -0.018 0.000 2.540 209 V HA 0.533 4.653 4.120 -0.000 0.000 0.302 209 V C -1.986 174.097 176.094 -0.018 0.000 1.035 209 V CA -1.443 60.846 62.300 -0.019 0.000 0.873 209 V CB 1.885 33.692 31.823 -0.027 0.000 0.992 209 V HN 0.987 nan 8.190 nan 0.000 0.428 210 P HA 0.037 nan 4.420 nan 0.000 0.272 210 P C 0.497 177.788 177.300 -0.015 0.000 1.239 210 P CA 1.122 64.214 63.100 -0.014 0.000 0.807 210 P CB 0.085 31.778 31.700 -0.013 0.000 0.951 211 N N -2.624 116.069 118.700 -0.013 0.000 2.708 211 N HA -0.222 4.518 4.740 -0.000 0.000 0.251 211 N C 0.484 175.985 175.510 -0.014 0.000 1.017 211 N CA 1.571 54.614 53.050 -0.012 0.000 0.742 211 N CB -2.478 36.003 38.487 -0.010 0.000 0.943 211 N HN 0.958 nan 8.380 nan 0.000 0.539 212 K N 0.474 120.863 120.400 -0.018 0.000 2.402 212 K HA 0.411 4.731 4.320 -0.000 0.000 0.279 212 K C -1.599 174.984 176.600 -0.029 0.000 1.082 212 K CA 0.089 56.362 56.287 -0.024 0.000 1.080 212 K CB -0.437 32.047 32.500 -0.026 0.000 0.899 212 K HN 0.708 nan 8.250 nan 0.000 0.469 213 P HA 0.272 nan 4.420 nan 0.000 0.273 213 P C -2.536 174.714 177.300 -0.082 0.000 1.531 213 P CA -1.593 61.481 63.100 -0.043 0.000 1.027 213 P CB 0.381 32.071 31.700 -0.016 0.000 1.387 214 P HA -0.027 nan 4.420 nan 0.000 0.264 214 P C -1.096 175.907 177.300 -0.495 0.000 1.183 214 P CA 0.226 63.178 63.100 -0.247 0.000 0.763 214 P CB 0.448 32.005 31.700 -0.239 0.000 0.807 215 Y N 3.181 123.180 120.300 -0.502 0.000 2.328 215 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 215 Y C -0.750 174.936 175.900 -0.357 0.000 0.958 215 Y CA -0.803 57.035 58.100 -0.435 0.000 1.167 215 Y CB 0.896 39.244 38.460 -0.186 0.000 1.151 215 Y HN 0.286 nan 8.280 nan 0.000 0.470 216 Y N 6.059 126.068 120.300 -0.484 0.000 2.323 216 Y HA 0.364 4.914 4.550 -0.000 0.000 0.331 216 Y C -0.329 175.400 175.900 -0.285 0.000 1.092 216 Y CA -1.224 56.724 58.100 -0.254 0.000 1.150 216 Y CB 0.887 39.244 38.460 -0.171 0.000 1.200 216 Y HN 0.330 nan 8.280 nan 0.000 0.472 217 L N 3.813 125.103 121.223 0.112 0.000 2.399 217 L HA 0.318 4.658 4.340 -0.000 0.000 0.266 217 L C 0.196 177.075 176.870 0.015 0.000 1.114 217 L CA -0.610 54.272 54.840 0.070 0.000 0.804 217 L CB 1.018 43.119 42.059 0.070 0.000 1.146 217 L HN 0.643 nan 8.230 nan 0.000 0.451 218 K N 0.892 121.280 120.400 -0.020 0.000 2.090 218 K HA 0.580 4.900 4.320 -0.000 0.000 0.249 218 K C -0.857 175.683 176.600 -0.100 0.000 0.995 218 K CA -0.604 55.654 56.287 -0.047 0.000 0.914 218 K CB 1.939 34.412 32.500 -0.045 0.000 1.057 218 K HN 0.280 nan 8.250 nan 0.000 0.462 219 V N 2.048 121.919 119.914 -0.072 0.000 2.628 219 V HA 0.565 4.685 4.120 -0.000 0.000 0.306 219 V C -0.098 175.973 176.094 -0.038 0.000 1.045 219 V CA -1.060 61.200 62.300 -0.066 0.000 0.905 219 V CB 1.718 33.625 31.823 0.140 0.000 0.997 219 V HN 0.612 nan 8.190 nan 0.000 0.436 220 R N 1.655 122.042 120.500 -0.188 0.000 2.740 220 R HA 0.530 4.870 4.340 -0.000 0.000 0.273 220 R C -1.083 175.247 176.300 0.052 0.000 0.998 220 R CA -0.838 55.219 56.100 -0.072 0.000 0.900 220 R CB 2.249 32.444 30.300 -0.174 0.000 1.223 220 R HN 0.877 nan 8.270 nan 0.000 0.466 221 E N 0.507 120.855 120.200 0.246 0.000 2.146 221 E HA 0.276 4.626 4.350 -0.000 0.000 0.282 221 E C -0.332 176.426 176.600 0.264 0.000 0.989 221 E CA -0.384 56.143 56.400 0.212 0.000 0.799 221 E CB 1.545 31.341 29.700 0.161 0.000 1.088 221 E HN 0.339 nan 8.360 nan 0.000 0.397 222 S N 3.561 119.383 115.700 0.202 0.000 2.584 222 S HA 0.168 4.638 4.470 -0.000 0.000 0.273 222 S C -1.301 173.281 174.600 -0.030 0.000 1.311 222 S CA -1.586 56.589 58.200 -0.042 0.000 1.034 222 S CB 0.584 63.595 63.200 -0.314 0.000 0.939 222 S HN 0.387 nan 8.310 nan 0.000 0.513 223 P HA -0.063 nan 4.420 nan 0.000 0.217 223 P C 1.091 178.363 177.300 -0.048 0.000 1.150 223 P CA 1.717 64.799 63.100 -0.030 0.000 0.832 223 P CB -0.227 31.456 31.700 -0.029 0.000 0.787 224 T N -5.708 108.801 114.554 -0.074 0.000 2.959 224 T HA 0.267 4.617 4.350 -0.000 0.000 0.254 224 T C 1.776 176.427 174.700 -0.082 0.000 1.003 224 T CA 0.719 62.779 62.100 -0.066 0.000 0.950 224 T CB -0.363 68.466 68.868 -0.064 0.000 1.090 224 T HN 0.145 nan 8.240 nan 0.000 0.503 225 E N 1.136 121.255 120.200 -0.134 0.000 2.431 225 E HA 0.582 4.932 4.350 -0.000 0.000 0.200 225 E C 1.365 177.875 176.600 -0.150 0.000 0.995 225 E CA 0.614 56.917 56.400 -0.160 0.000 0.915 225 E CB -0.660 28.915 29.700 -0.208 0.000 0.930 225 E HN 1.179 nan 8.360 nan 0.000 0.496 226 G N -0.097 108.631 108.800 -0.119 0.000 2.568 226 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.222 226 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.222 226 G C -2.564 172.268 174.900 -0.113 0.000 1.321 226 G CA -0.402 44.613 45.100 -0.141 0.000 0.893 226 G HN 0.402 nan 8.290 nan 0.000 0.569 227 P HA 0.495 nan 4.420 nan 0.000 0.269 227 P C -0.763 176.495 177.300 -0.070 0.000 1.209 227 P CA 0.641 63.526 63.100 -0.359 0.000 0.776 227 P CB 0.258 31.395 31.700 -0.937 0.000 0.876 228 Y N -0.885 119.300 120.300 -0.192 0.000 2.552 228 Y HA 0.522 5.072 4.550 0.000 0.000 0.337 228 Y C -1.461 174.363 175.900 -0.128 0.000 1.094 228 Y CA -1.742 56.264 58.100 -0.155 0.000 1.028 228 Y CB 0.247 38.635 38.460 -0.120 0.000 1.321 228 Y HN 0.001 nan 8.280 nan 0.000 0.456 229 V N 3.135 122.856 119.914 -0.321 0.000 2.439 229 V HA 0.414 4.534 4.120 -0.000 0.000 0.271 229 V C 0.616 176.510 176.094 -0.332 0.000 1.040 229 V CA 0.141 62.221 62.300 -0.367 0.000 1.002 229 V CB -0.130 31.446 31.823 -0.412 0.000 1.000 229 V HN 0.956 nan 8.190 nan 0.000 0.477 230 K N 3.345 123.514 120.400 -0.385 0.000 2.361 230 K HA 0.197 4.517 4.320 -0.000 0.000 0.283 230 K C 0.567 177.142 176.600 -0.043 0.000 1.078 230 K CA 0.403 56.553 56.287 -0.228 0.000 1.041 230 K CB -0.772 31.624 32.500 -0.174 0.000 0.932 230 K HN 0.917 nan 8.250 nan 0.000 0.462 231 D N -0.597 119.824 120.400 0.035 0.000 3.026 231 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 231 D C 0.097 176.426 176.300 0.049 0.000 1.028 231 D CA 0.671 54.705 54.000 0.056 0.000 0.991 231 D CB -1.713 39.125 40.800 0.064 0.000 1.067 231 D HN 0.663 nan 8.370 nan 0.000 0.439 232 L N 1.870 123.114 121.223 0.034 0.000 2.540 232 L HA 0.091 4.431 4.340 -0.000 0.000 0.276 232 L C 1.139 178.033 176.870 0.039 0.000 1.212 232 L CA 0.681 55.544 54.840 0.039 0.000 0.893 232 L CB 0.596 42.662 42.059 0.011 0.000 1.138 232 L HN 0.184 nan 8.230 nan 0.000 0.491 233 T N 2.051 116.630 114.554 0.041 0.000 2.834 233 T HA 0.191 4.541 4.350 -0.000 0.000 0.298 233 T C -0.099 174.582 174.700 -0.031 0.000 0.966 233 T CA -0.534 61.564 62.100 -0.003 0.000 1.141 233 T CB 0.382 69.242 68.868 -0.015 0.000 0.905 233 T HN 0.669 nan 8.240 nan 0.000 0.535 234 E N 2.476 122.636 120.200 -0.067 0.000 2.179 234 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 234 E C -1.003 175.487 176.600 -0.183 0.000 0.945 234 E CA -1.075 55.265 56.400 -0.101 0.000 0.792 234 E CB 2.099 31.760 29.700 -0.066 0.000 1.125 234 E HN 0.515 nan 8.360 nan 0.000 0.397 235 V N 4.621 124.370 119.914 -0.274 0.000 2.376 235 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 235 V C -2.269 173.655 176.094 -0.283 0.000 1.015 235 V CA -2.175 59.870 62.300 -0.426 0.000 0.834 235 V CB 1.220 32.456 31.823 -0.978 0.000 1.001 235 V HN 0.592 nan 8.190 nan 0.000 0.428 236 P HA 0.093 nan 4.420 nan 0.000 0.262 236 P C -0.611 176.682 177.300 -0.011 0.000 1.182 236 P CA 0.370 63.438 63.100 -0.054 0.000 0.761 236 P CB 0.797 32.483 31.700 -0.023 0.000 0.795 237 V N 1.743 121.708 119.914 0.085 0.000 2.525 237 V HA 0.477 4.597 4.120 -0.000 0.000 0.299 237 V C 0.800 177.059 176.094 0.274 0.000 1.034 237 V CA -0.701 61.703 62.300 0.174 0.000 0.863 237 V CB 2.270 34.233 31.823 0.235 0.000 0.999 237 V HN 0.347 nan 8.190 nan 0.000 0.423 238 R N 2.607 123.198 120.500 0.152 0.000 2.393 238 R HA 0.579 4.919 4.340 -0.000 0.000 0.244 238 R C 0.639 176.930 176.300 -0.015 0.000 0.920 238 R CA 0.460 56.666 56.100 0.178 0.000 1.076 238 R CB 1.244 31.612 30.300 0.114 0.000 1.119 238 R HN 1.035 nan 8.270 nan 0.000 0.524 239 G N -0.769 107.653 108.800 -0.629 0.000 2.387 239 G HA2 0.059 4.019 3.960 -0.000 0.000 0.294 239 G HA3 0.059 4.019 3.960 -0.000 0.000 0.294 239 G C -0.138 174.038 174.900 -1.207 0.000 1.509 239 G CA -0.821 43.647 45.100 -1.053 0.000 0.806 239 G HN 0.008 nan 8.290 nan 0.000 0.546 240 L N 0.116 120.799 121.223 -0.900 0.000 1.955 240 L HA -0.037 4.303 4.340 -0.000 0.000 0.213 240 L C 2.597 179.328 176.870 -0.232 0.000 1.072 240 L CA 2.694 57.252 54.840 -0.469 0.000 0.755 240 L CB -0.271 41.685 42.059 -0.171 0.000 0.888 240 L HN 0.964 nan 8.230 nan 0.000 0.432 241 E N -0.236 119.863 120.200 -0.169 0.000 2.048 241 E HA -0.329 4.021 4.350 -0.000 0.000 0.202 241 E C 2.045 178.614 176.600 -0.051 0.000 1.021 241 E CA 1.928 58.275 56.400 -0.088 0.000 0.825 241 E CB -0.133 29.519 29.700 -0.078 0.000 0.756 241 E HN 0.439 nan 8.360 nan 0.000 0.454 242 E N 0.192 120.355 120.200 -0.062 0.000 2.108 242 E HA -0.255 4.095 4.350 -0.000 0.000 0.203 242 E C 2.180 178.907 176.600 0.211 0.000 1.022 242 E CA 1.469 57.903 56.400 0.057 0.000 0.823 242 E CB -0.229 29.490 29.700 0.033 0.000 0.744 242 E HN 0.417 nan 8.360 nan 0.000 0.456 243 I N 0.943 121.595 120.570 0.138 0.000 2.333 243 I HA -0.205 3.965 4.170 -0.000 0.000 0.246 243 I C 2.498 178.775 176.117 0.267 0.000 1.106 243 I CA 0.666 62.142 61.300 0.294 0.000 1.411 243 I CB -0.025 38.188 38.000 0.354 0.000 1.082 243 I HN 0.120 nan 8.210 nan 0.000 0.420 244 I N -1.065 119.582 120.570 0.129 0.000 2.676 244 I HA -0.200 3.970 4.170 -0.000 0.000 0.259 244 I C 2.556 178.708 176.117 0.059 0.000 1.194 244 I CA 1.026 62.372 61.300 0.078 0.000 1.473 244 I CB -0.575 37.432 38.000 0.012 0.000 1.096 244 I HN 0.152 nan 8.210 nan 0.000 0.443 245 R N 1.099 121.621 120.500 0.038 0.000 2.070 245 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 245 R C 1.914 178.176 176.300 -0.064 0.000 1.138 245 R CA 2.306 58.364 56.100 -0.071 0.000 0.936 245 R CB -0.839 29.363 30.300 -0.165 0.000 0.839 245 R HN 0.482 nan 8.270 nan 0.000 0.429 246 W N 0.775 122.140 121.300 0.108 0.000 2.421 246 W HA -0.049 4.611 4.660 0.000 0.000 0.270 246 W C 2.447 179.110 176.519 0.241 0.000 1.233 246 W CA 0.967 58.408 57.345 0.160 0.000 1.226 246 W CB -0.112 29.448 29.460 0.166 0.000 1.121 246 W HN 0.224 nan 8.180 nan 0.000 0.579 247 M N 0.567 120.414 119.600 0.410 0.000 2.059 247 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 247 M C 2.187 178.656 176.300 0.281 0.000 1.072 247 M CA 1.910 57.408 55.300 0.329 0.000 1.117 247 M CB -0.393 32.248 32.600 0.069 0.000 1.320 247 M HN -0.087 nan 8.290 nan 0.000 0.408 248 R N 0.172 120.753 120.500 0.134 0.000 2.133 248 R HA -0.212 4.128 4.340 -0.000 0.000 0.247 248 R C 1.963 178.309 176.300 0.077 0.000 1.151 248 R CA 1.707 57.851 56.100 0.075 0.000 0.971 248 R CB -0.598 29.705 30.300 0.006 0.000 0.866 248 R HN 0.384 nan 8.270 nan 0.000 0.447 249 I N -0.169 120.448 120.570 0.078 0.000 2.072 249 I HA -0.141 4.029 4.170 -0.000 0.000 0.235 249 I C 2.585 178.775 176.117 0.121 0.000 1.058 249 I CA 1.752 63.081 61.300 0.048 0.000 1.320 249 I CB -1.929 36.079 38.000 0.012 0.000 1.047 249 I HN 0.257 nan 8.210 nan 0.000 0.397 250 G N 0.784 109.739 108.800 0.258 0.000 2.599 250 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 250 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 250 G C 1.511 176.376 174.900 -0.059 0.000 1.193 250 G CA 1.270 46.454 45.100 0.140 0.000 0.778 250 G HN 0.413 nan 8.290 nan 0.000 0.589 251 D N 0.450 120.905 120.400 0.091 0.000 2.191 251 D HA -0.153 4.487 4.640 -0.000 0.000 0.190 251 D C 2.552 178.847 176.300 -0.008 0.000 1.007 251 D CA 1.683 55.712 54.000 0.047 0.000 0.865 251 D CB -0.422 40.449 40.800 0.117 0.000 0.929 251 D HN 0.364 nan 8.370 nan 0.000 0.447 252 G N -0.675 108.129 108.800 0.006 0.000 2.712 252 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.212 252 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.212 252 G C 1.382 176.270 174.900 -0.020 0.000 1.142 252 G CA 0.552 45.647 45.100 -0.009 0.000 0.789 252 G HN 0.233 nan 8.290 nan 0.000 0.535 253 S N -0.240 115.444 115.700 -0.025 0.000 2.575 253 S HA 0.232 4.702 4.470 -0.000 0.000 0.215 253 S C 1.171 175.738 174.600 -0.055 0.000 0.966 253 S CA -0.549 57.634 58.200 -0.029 0.000 0.911 253 S CB -0.124 63.073 63.200 -0.005 0.000 0.780 253 S HN 0.325 nan 8.310 nan 0.000 0.514 254 R N 1.593 122.048 120.500 -0.074 0.000 2.539 254 R HA 0.199 4.539 4.340 -0.000 0.000 0.275 254 R C -0.029 176.213 176.300 -0.096 0.000 1.077 254 R CA -0.022 56.025 56.100 -0.089 0.000 1.097 254 R CB 0.356 30.605 30.300 -0.085 0.000 1.018 254 R HN 0.154 nan 8.270 nan 0.000 0.483 255 T N 2.747 117.217 114.554 -0.140 0.000 2.831 255 T HA 0.018 4.368 4.350 -0.000 0.000 0.291 255 T C 0.281 174.864 174.700 -0.195 0.000 0.981 255 T CA -0.236 61.718 62.100 -0.242 0.000 1.174 255 T CB 0.150 68.689 68.868 -0.549 0.000 0.929 255 T HN 0.216 nan 8.240 nan 0.000 0.532 256 V N 3.364 123.186 119.914 -0.153 0.000 2.529 256 V HA 0.305 4.425 4.120 -0.000 0.000 0.292 256 V C 1.027 177.074 176.094 -0.078 0.000 1.028 256 V CA -1.128 61.117 62.300 -0.092 0.000 1.074 256 V CB -0.502 31.283 31.823 -0.063 0.000 0.958 256 V HN 1.051 nan 8.190 nan 0.000 0.481 257 A N 4.355 127.149 122.820 -0.042 0.000 2.498 257 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 257 A C 1.173 178.753 177.584 -0.006 0.000 1.068 257 A CA 0.363 52.393 52.037 -0.011 0.000 0.766 257 A CB 0.155 19.154 19.000 -0.001 0.000 1.003 257 A HN 1.163 nan 8.150 nan 0.000 0.497 258 S N 0.319 116.026 115.700 0.011 0.000 2.559 258 S HA -0.023 4.447 4.470 -0.000 0.000 0.226 258 S C 1.604 176.213 174.600 0.015 0.000 1.030 258 S CA 0.543 58.751 58.200 0.012 0.000 0.956 258 S CB -0.345 62.868 63.200 0.022 0.000 0.900 258 S HN 1.001 nan 8.310 nan 0.000 0.510 259 T N 1.973 116.538 114.554 0.018 0.000 2.674 259 T HA -0.059 4.291 4.350 -0.000 0.000 0.265 259 T C 0.687 175.392 174.700 0.010 0.000 1.039 259 T CA 0.761 62.870 62.100 0.015 0.000 1.150 259 T CB -0.730 68.148 68.868 0.016 0.000 0.864 259 T HN 0.628 nan 8.240 nan 0.000 0.427 260 K N 0.410 120.814 120.400 0.007 0.000 2.164 260 K HA 0.552 4.872 4.320 -0.000 0.000 0.258 260 K C 0.897 177.498 176.600 0.001 0.000 0.951 260 K CA -0.829 55.460 56.287 0.004 0.000 0.844 260 K CB 1.735 34.238 32.500 0.004 0.000 1.099 260 K HN -0.060 nan 8.250 nan 0.000 0.435 261 M N 1.093 120.693 119.600 0.001 0.000 2.252 261 M HA -0.232 4.248 4.480 -0.000 0.000 0.255 261 M C -0.103 176.194 176.300 -0.004 0.000 1.085 261 M CA 1.820 57.119 55.300 -0.002 0.000 1.059 261 M CB -0.075 32.524 32.600 -0.001 0.000 1.375 261 M HN 0.859 nan 8.290 nan 0.000 0.409 262 N N 0.890 119.587 118.700 -0.004 0.000 2.805 262 N HA 0.160 4.900 4.740 -0.000 0.000 0.216 262 N C -2.121 173.385 175.510 -0.006 0.000 1.447 262 N CA -0.160 52.886 53.050 -0.007 0.000 0.785 262 N CB 0.517 39.001 38.487 -0.006 0.000 1.458 262 N HN 0.130 nan 8.380 nan 0.000 0.547 263 D N -0.647 119.747 120.400 -0.009 0.000 2.579 263 D HA 0.418 5.058 4.640 -0.000 0.000 0.257 263 D C -0.699 175.591 176.300 -0.017 0.000 1.176 263 D CA 0.005 54.000 54.000 -0.008 0.000 0.914 263 D CB 1.928 42.727 40.800 -0.001 0.000 1.431 263 D HN 0.019 nan 8.370 nan 0.000 0.454 264 T N 0.608 115.153 114.554 -0.015 0.000 2.832 264 T HA 0.198 4.547 4.350 -0.000 0.000 0.296 264 T C 0.338 175.029 174.700 -0.015 0.000 0.968 264 T CA -0.056 62.029 62.100 -0.025 0.000 1.107 264 T CB 0.723 69.581 68.868 -0.017 0.000 0.916 264 T HN 0.254 nan 8.240 nan 0.000 0.517 265 S N 2.260 117.943 115.700 -0.029 0.000 2.626 265 S HA -0.039 4.431 4.470 -0.000 0.000 0.303 265 S C 1.541 176.165 174.600 0.040 0.000 1.256 265 S CA -0.102 58.110 58.200 0.020 0.000 1.069 265 S CB 0.066 63.277 63.200 0.018 0.000 0.807 265 S HN 0.843 nan 8.310 nan 0.000 0.500 266 S N 4.446 120.168 115.700 0.036 0.000 2.603 266 S HA 0.158 4.628 4.470 -0.000 0.000 0.220 266 S C 1.037 175.622 174.600 -0.025 0.000 0.967 266 S CA -0.061 58.140 58.200 0.002 0.000 0.920 266 S CB -0.060 63.138 63.200 -0.004 0.000 0.773 266 S HN 0.782 nan 8.310 nan 0.000 0.529 267 R N 1.697 122.213 120.500 0.028 0.000 2.509 267 R HA 0.238 4.578 4.340 -0.000 0.000 0.300 267 R C -0.027 176.227 176.300 -0.076 0.000 0.985 267 R CA 0.171 56.234 56.100 -0.062 0.000 1.092 267 R CB 0.811 31.080 30.300 -0.051 0.000 1.237 267 R HN 0.490 nan 8.270 nan 0.000 0.546 268 S N 0.372 116.094 115.700 0.037 0.000 2.442 268 S HA 0.286 4.756 4.470 -0.000 0.000 0.297 268 S C -0.327 174.200 174.600 -0.122 0.000 1.131 268 S CA -0.838 57.415 58.200 0.088 0.000 1.092 268 S CB 0.824 64.115 63.200 0.152 0.000 0.998 268 S HN 0.185 nan 8.310 nan 0.000 0.478 269 H N 2.073 121.199 119.070 0.094 0.000 2.473 269 H HA 0.667 5.223 4.556 0.000 0.000 0.327 269 H C -0.054 175.280 175.328 0.012 0.000 1.105 269 H CA -0.564 55.511 56.048 0.045 0.000 1.280 269 H CB 1.572 31.350 29.762 0.028 0.000 1.450 269 H HN 0.876 nan 8.280 nan 0.000 0.492 270 A N 2.869 125.761 122.820 0.119 0.000 2.343 270 A HA 0.494 4.814 4.320 -0.000 0.000 0.316 270 A C -0.621 176.984 177.584 0.035 0.000 1.104 270 A CA -0.685 51.381 52.037 0.048 0.000 0.768 270 A CB 1.252 20.334 19.000 0.136 0.000 1.213 270 A HN 0.451 nan 8.150 nan 0.000 0.456 271 V N 3.071 122.863 119.914 -0.203 0.000 2.326 271 V HA 0.332 4.452 4.120 -0.000 0.000 0.281 271 V C -0.818 175.311 176.094 0.059 0.000 1.015 271 V CA -0.248 61.922 62.300 -0.217 0.000 0.823 271 V CB 0.666 32.084 31.823 -0.674 0.000 1.009 271 V HN 0.774 nan 8.190 nan 0.000 0.436 272 F N 4.692 124.611 119.950 -0.053 0.000 2.411 272 F HA 0.665 5.192 4.527 -0.000 0.000 0.350 272 F C 0.358 176.112 175.800 -0.077 0.000 1.114 272 F CA 0.103 57.946 58.000 -0.263 0.000 1.135 272 F CB 1.515 40.191 39.000 -0.539 0.000 1.120 272 F HN 0.486 nan 8.300 nan 0.000 0.495 273 T N 7.223 121.441 114.554 -0.559 0.000 2.881 273 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 273 T C -0.912 173.496 174.700 -0.488 0.000 1.000 273 T CA -0.672 61.226 62.100 -0.336 0.000 0.978 273 T CB 0.662 69.493 68.868 -0.061 0.000 0.997 273 T HN 0.510 nan 8.240 nan 0.000 0.443 274 I N 6.562 126.967 120.570 -0.276 0.000 2.354 274 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 274 I C 0.634 176.700 176.117 -0.085 0.000 1.007 274 I CA -1.019 60.172 61.300 -0.181 0.000 1.167 274 I CB 1.554 39.521 38.000 -0.056 0.000 1.320 274 I HN 0.585 nan 8.210 nan 0.000 0.458 275 M N 6.887 126.437 119.600 -0.082 0.000 2.146 275 M HA 0.456 4.936 4.480 -0.000 0.000 0.357 275 M C -1.125 175.139 176.300 -0.061 0.000 1.261 275 M CA -0.479 54.791 55.300 -0.050 0.000 1.106 275 M CB 1.540 34.112 32.600 -0.046 0.000 1.612 275 M HN 0.461 nan 8.290 nan 0.000 0.470 276 L N 4.101 125.286 121.223 -0.064 0.000 2.316 276 L HA 0.568 4.908 4.340 -0.000 0.000 0.280 276 L C -0.808 176.005 176.870 -0.095 0.000 1.006 276 L CA -0.029 54.746 54.840 -0.108 0.000 0.836 276 L CB 1.150 43.101 42.059 -0.180 0.000 1.221 276 L HN 0.908 nan 8.230 nan 0.000 0.418 277 K N 4.908 125.264 120.400 -0.073 0.000 2.274 277 K HA 0.504 4.824 4.320 -0.000 0.000 0.262 277 K C -1.317 175.230 176.600 -0.090 0.000 0.961 277 K CA -0.532 55.710 56.287 -0.074 0.000 0.833 277 K CB 1.133 33.598 32.500 -0.058 0.000 1.102 277 K HN 0.830 nan 8.250 nan 0.000 0.436 278 Q N 4.518 124.238 119.800 -0.133 0.000 2.340 278 Q HA 0.477 4.817 4.340 -0.000 0.000 0.268 278 Q C -0.933 174.947 176.000 -0.199 0.000 1.031 278 Q CA -0.855 54.806 55.803 -0.237 0.000 0.804 278 Q CB 1.749 30.320 28.738 -0.277 0.000 1.286 278 Q HN 0.495 nan 8.270 nan 0.000 0.448 279 I N 2.852 123.285 120.570 -0.228 0.000 2.382 279 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 279 I C -0.423 175.658 176.117 -0.061 0.000 1.002 279 I CA -0.687 60.541 61.300 -0.121 0.000 1.135 279 I CB 1.497 39.436 38.000 -0.102 0.000 1.288 279 I HN 0.700 nan 8.210 nan 0.000 0.448 280 H N 6.626 125.633 119.070 -0.105 0.000 2.463 280 H HA 0.373 4.929 4.556 -0.000 0.000 0.332 280 H C -0.277 175.077 175.328 0.044 0.000 1.127 280 H CA -0.286 55.731 56.048 -0.051 0.000 1.238 280 H CB 0.901 30.636 29.762 -0.046 0.000 1.478 280 H HN 0.758 nan 8.280 nan 0.000 0.499 289 T N 2.318 116.821 114.554 -0.084 0.000 2.779 289 T HA 0.591 4.941 4.350 -0.000 0.000 0.280 289 T C -1.140 173.532 174.700 -0.046 0.000 0.987 289 T CA 0.195 62.258 62.100 -0.061 0.000 0.966 289 T CB 1.071 69.905 68.868 -0.057 0.000 0.933 289 T HN 0.648 nan 8.240 nan 0.000 0.442 290 E N 3.943 124.112 120.200 -0.053 0.000 2.199 290 E HA 0.520 4.870 4.350 -0.000 0.000 0.265 290 E C -0.707 175.853 176.600 -0.067 0.000 0.882 290 E CA -1.178 55.186 56.400 -0.061 0.000 0.759 290 E CB 1.482 31.144 29.700 -0.064 0.000 1.148 290 E HN 0.537 nan 8.360 nan 0.000 0.412 291 R N 2.645 123.097 120.500 -0.080 0.000 2.320 291 R HA 0.314 4.654 4.340 -0.000 0.000 0.319 291 R C -1.404 174.835 176.300 -0.101 0.000 0.969 291 R CA -0.299 55.744 56.100 -0.095 0.000 0.857 291 R CB 1.477 31.718 30.300 -0.098 0.000 1.160 291 R HN 0.452 nan 8.270 nan 0.000 0.491 292 S N 2.792 118.441 115.700 -0.086 0.000 2.461 292 S HA 0.314 4.784 4.470 -0.000 0.000 0.322 292 S C -0.865 173.716 174.600 -0.033 0.000 1.063 292 S CA -0.648 57.523 58.200 -0.049 0.000 1.120 292 S CB 1.084 64.277 63.200 -0.012 0.000 0.968 292 S HN 0.717 nan 8.310 nan 0.000 0.467 293 S N 3.134 118.812 115.700 -0.037 0.000 2.537 293 S HA 0.770 5.240 4.470 -0.000 0.000 0.301 293 S C -0.476 174.215 174.600 0.151 0.000 1.092 293 S CA -1.253 56.966 58.200 0.031 0.000 1.048 293 S CB 1.400 64.571 63.200 -0.048 0.000 1.053 293 S HN 0.770 nan 8.310 nan 0.000 0.501 294 R N 0.895 121.604 120.500 0.347 0.000 2.480 294 R HA 0.674 5.014 4.340 -0.000 0.000 0.306 294 R C -1.414 174.969 176.300 0.138 0.000 0.958 294 R CA -0.708 55.480 56.100 0.146 0.000 0.861 294 R CB 0.638 30.951 30.300 0.021 0.000 1.171 294 R HN 0.678 nan 8.270 nan 0.000 0.445 295 I N 3.467 124.090 120.570 0.088 0.000 2.304 295 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 295 I C 0.237 176.414 176.117 0.100 0.000 1.018 295 I CA -0.569 60.805 61.300 0.122 0.000 1.260 295 I CB 1.210 39.290 38.000 0.133 0.000 1.390 295 I HN 0.513 nan 8.210 nan 0.000 0.475 296 R N 6.964 127.545 120.500 0.136 0.000 2.295 296 R HA 0.689 5.029 4.340 -0.000 0.000 0.324 296 R C -1.370 175.033 176.300 0.172 0.000 0.968 296 R CA -0.599 55.578 56.100 0.129 0.000 0.837 296 R CB 1.108 31.480 30.300 0.121 0.000 1.133 296 R HN 0.588 nan 8.270 nan 0.000 0.450 297 L N 4.670 126.002 121.223 0.182 0.000 2.406 297 L HA 0.479 4.819 4.340 -0.000 0.000 0.270 297 L C -1.061 175.915 176.870 0.178 0.000 0.982 297 L CA -0.967 53.990 54.840 0.195 0.000 0.843 297 L CB 2.052 44.257 42.059 0.243 0.000 1.225 297 L HN 0.300 nan 8.230 nan 0.000 0.412 298 V N 1.290 121.311 119.914 0.179 0.000 2.448 298 V HA 0.355 4.475 4.120 -0.000 0.000 0.295 298 V C -0.731 175.469 176.094 0.177 0.000 1.025 298 V CA -0.476 61.930 62.300 0.178 0.000 0.859 298 V CB 2.199 34.140 31.823 0.197 0.000 0.988 298 V HN 0.577 nan 8.190 nan 0.000 0.431 299 D N 4.596 125.087 120.400 0.151 0.000 2.477 299 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 299 D C -0.195 176.194 176.300 0.148 0.000 1.102 299 D CA -0.179 53.901 54.000 0.132 0.000 0.901 299 D CB 0.724 41.588 40.800 0.106 0.000 1.026 299 D HN 0.381 nan 8.370 nan 0.000 0.515 300 L N 1.577 122.907 121.223 0.179 0.000 2.464 300 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 300 L C 1.089 178.030 176.870 0.117 0.000 1.199 300 L CA -0.762 54.228 54.840 0.250 0.000 0.818 300 L CB 0.704 42.909 42.059 0.243 0.000 1.102 300 L HN 0.360 nan 8.230 nan 0.000 0.473 301 A N 1.541 124.381 122.820 0.032 0.000 2.498 301 A HA 0.399 4.719 4.320 -0.000 0.000 0.239 301 A C 0.664 178.177 177.584 -0.119 0.000 1.068 301 A CA 0.120 52.029 52.037 -0.212 0.000 0.766 301 A CB -0.058 18.592 19.000 -0.584 0.000 1.003 301 A HN 0.821 nan 8.150 nan 0.000 0.497 302 G N 0.406 109.137 108.800 -0.115 0.000 2.562 302 G HA2 0.301 4.261 3.960 -0.000 0.000 0.233 302 G HA3 0.301 4.261 3.960 -0.000 0.000 0.233 302 G C 0.951 175.764 174.900 -0.146 0.000 1.266 302 G CA 0.349 45.372 45.100 -0.129 0.000 0.852 302 G HN 1.554 nan 8.290 nan 0.000 0.581 303 S N -0.052 115.533 115.700 -0.192 0.000 2.540 303 S HA 0.160 4.630 4.470 -0.000 0.000 0.218 303 S C 0.585 175.177 174.600 -0.015 0.000 0.977 303 S CA -0.168 57.941 58.200 -0.152 0.000 0.918 303 S CB 0.145 63.161 63.200 -0.306 0.000 0.806 303 S HN 0.640 nan 8.310 nan 0.000 0.496 321 N N 2.267 120.882 118.700 -0.143 0.000 2.260 321 N HA 0.362 5.102 4.740 -0.000 0.000 0.293 321 N C 0.768 176.196 175.510 -0.137 0.000 1.058 321 N CA -0.515 52.468 53.050 -0.112 0.000 0.824 321 N CB 1.804 40.245 38.487 -0.075 0.000 1.551 321 N HN 0.813 nan 8.380 nan 0.000 0.475 322 I N 3.425 123.908 120.570 -0.145 0.000 2.479 322 I HA -0.256 3.914 4.170 -0.000 0.000 0.258 322 I C 1.080 177.100 176.117 -0.162 0.000 1.165 322 I CA 1.783 62.957 61.300 -0.209 0.000 1.422 322 I CB -0.041 37.835 38.000 -0.207 0.000 1.087 322 I HN 0.623 nan 8.210 nan 0.000 0.441 323 N N -0.333 118.312 118.700 -0.093 0.000 2.545 323 N HA -0.042 4.698 4.740 -0.000 0.000 0.190 323 N C 1.642 177.144 175.510 -0.013 0.000 1.043 323 N CA 0.151 53.173 53.050 -0.046 0.000 0.879 323 N CB 0.005 38.476 38.487 -0.027 0.000 1.210 323 N HN 0.068 nan 8.380 nan 0.000 0.437 324 K N 0.320 120.702 120.400 -0.030 0.000 2.635 324 K HA -0.351 3.969 4.320 -0.000 0.000 0.203 324 K C 1.708 178.302 176.600 -0.009 0.000 0.873 324 K CA 2.338 58.610 56.287 -0.026 0.000 0.919 324 K CB -0.454 32.015 32.500 -0.051 0.000 1.309 324 K HN 0.065 nan 8.250 nan 0.000 0.542 325 S N 0.105 115.809 115.700 0.008 0.000 2.344 325 S HA -0.115 4.355 4.470 -0.000 0.000 0.217 325 S C 1.597 176.183 174.600 -0.023 0.000 1.033 325 S CA 1.311 59.504 58.200 -0.011 0.000 1.017 325 S CB -0.331 62.870 63.200 0.002 0.000 0.941 325 S HN 0.368 nan 8.310 nan 0.000 0.430 326 L N 1.363 122.647 121.223 0.100 0.000 2.046 326 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 326 L C 2.622 179.528 176.870 0.061 0.000 1.077 326 L CA 2.467 57.383 54.840 0.127 0.000 0.747 326 L CB -1.465 40.735 42.059 0.234 0.000 0.896 326 L HN 0.484 nan 8.230 nan 0.000 0.432 327 T N -1.718 112.866 114.554 0.049 0.000 2.777 327 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 327 T C 1.936 176.643 174.700 0.012 0.000 1.040 327 T CA 2.231 64.358 62.100 0.046 0.000 1.141 327 T CB -0.446 68.449 68.868 0.044 0.000 0.868 327 T HN 0.624 nan 8.240 nan 0.000 0.444 328 T N 0.523 115.071 114.554 -0.010 0.000 2.995 328 T HA 0.086 4.436 4.350 -0.000 0.000 0.269 328 T C 2.014 176.677 174.700 -0.063 0.000 1.091 328 T CA 0.738 62.820 62.100 -0.029 0.000 1.128 328 T CB -0.602 68.250 68.868 -0.026 0.000 0.891 328 T HN 0.334 nan 8.240 nan 0.000 0.492 329 L N 1.490 122.664 121.223 -0.081 0.000 1.970 329 L HA 0.014 4.354 4.340 -0.000 0.000 0.212 329 L C 2.746 179.496 176.870 -0.200 0.000 1.071 329 L CA 2.537 57.295 54.840 -0.137 0.000 0.751 329 L CB -1.632 40.339 42.059 -0.146 0.000 0.889 329 L HN 0.483 nan 8.230 nan 0.000 0.432 330 G N -0.173 108.484 108.800 -0.238 0.000 2.505 330 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 330 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 330 G C 1.650 176.468 174.900 -0.137 0.000 1.145 330 G CA 0.999 45.849 45.100 -0.417 0.000 0.761 330 G HN 0.430 nan 8.290 nan 0.000 0.571 331 R N -0.434 120.034 120.500 -0.053 0.000 2.096 331 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 331 R C 2.661 178.919 176.300 -0.070 0.000 1.127 331 R CA 1.027 57.113 56.100 -0.023 0.000 0.968 331 R CB -0.427 29.859 30.300 -0.024 0.000 0.861 331 R HN 0.340 nan 8.270 nan 0.000 0.440 332 V N 1.337 121.178 119.914 -0.121 0.000 2.244 332 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 332 V C 2.218 178.237 176.094 -0.125 0.000 1.042 332 V CA 1.811 64.006 62.300 -0.174 0.000 1.006 332 V CB -0.372 31.330 31.823 -0.202 0.000 0.641 332 V HN 0.223 nan 8.190 nan 0.000 0.446 333 I N 0.819 121.319 120.570 -0.118 0.000 2.185 333 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 333 I C 2.647 178.768 176.117 0.006 0.000 1.088 333 I CA 1.751 63.015 61.300 -0.061 0.000 1.347 333 I CB -0.714 37.216 38.000 -0.116 0.000 1.041 333 I HN 0.309 nan 8.210 nan 0.000 0.415 334 A N 0.709 123.547 122.820 0.030 0.000 1.908 334 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 334 A C 2.573 180.169 177.584 0.021 0.000 1.181 334 A CA 2.104 54.181 52.037 0.068 0.000 0.627 334 A CB -0.951 18.107 19.000 0.097 0.000 0.818 334 A HN 0.456 nan 8.150 nan 0.000 0.445 335 A N -0.414 122.392 122.820 -0.022 0.000 1.902 335 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 335 A C 2.086 179.653 177.584 -0.028 0.000 1.181 335 A CA 1.496 53.508 52.037 -0.042 0.000 0.623 335 A CB -0.558 18.381 19.000 -0.103 0.000 0.818 335 A HN 0.471 nan 8.150 nan 0.000 0.443 336 L N -1.476 119.730 121.223 -0.029 0.000 2.478 336 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 336 L C 2.526 179.411 176.870 0.025 0.000 1.140 336 L CA 0.559 55.400 54.840 0.002 0.000 0.842 336 L CB -0.424 41.643 42.059 0.014 0.000 0.953 336 L HN 0.525 nan 8.230 nan 0.000 0.452 337 A N 0.119 122.957 122.820 0.030 0.000 2.265 337 A HA 0.216 4.536 4.320 -0.000 0.000 0.226 337 A C 1.027 178.629 177.584 0.031 0.000 1.937 337 A CA 0.635 52.695 52.037 0.039 0.000 0.771 337 A CB -0.894 18.140 19.000 0.056 0.000 1.421 337 A HN 0.253 nan 8.150 nan 0.000 0.570 365 V N 5.889 125.746 119.914 -0.096 0.000 2.470 365 V HA 0.253 4.373 4.120 -0.000 0.000 0.276 365 V C -1.307 174.610 176.094 -0.295 0.000 1.040 365 V CA -0.923 61.204 62.300 -0.287 0.000 1.008 365 V CB 1.258 32.746 31.823 -0.558 0.000 0.990 365 V HN 0.841 nan 8.190 nan 0.000 0.477 366 P HA 0.132 nan 4.420 nan 0.000 0.226 366 P C 0.381 177.659 177.300 -0.037 0.000 1.758 366 P CA -0.180 62.861 63.100 -0.098 0.000 0.896 366 P CB -0.104 31.550 31.700 -0.076 0.000 1.784 367 Y N 1.613 121.966 120.300 0.088 0.000 2.207 367 Y HA -0.204 4.346 4.550 -0.000 0.000 0.287 367 Y C 2.521 178.565 175.900 0.239 0.000 1.156 367 Y CA 1.553 59.744 58.100 0.151 0.000 1.182 367 Y CB -0.577 38.000 38.460 0.195 0.000 0.979 367 Y HN 0.187 nan 8.280 nan 0.000 0.521 368 R N -0.119 120.580 120.500 0.333 0.000 2.310 368 R HA 0.003 4.343 4.340 -0.000 0.000 0.202 368 R C 0.151 176.419 176.300 -0.053 0.000 0.933 368 R CA 0.778 56.905 56.100 0.046 0.000 1.054 368 R CB -0.281 29.878 30.300 -0.235 0.000 0.985 368 R HN 0.163 nan 8.270 nan 0.000 0.489 369 D N 1.462 121.864 120.400 0.003 0.000 2.378 369 D HA -0.028 4.612 4.640 -0.000 0.000 0.227 369 D C 0.240 176.522 176.300 -0.029 0.000 1.012 369 D CA 0.763 54.745 54.000 -0.030 0.000 0.905 369 D CB 0.368 41.154 40.800 -0.023 0.000 0.895 369 D HN 0.330 nan 8.370 nan 0.000 0.532 370 S N -1.761 113.940 115.700 0.002 0.000 2.565 370 S HA 0.264 4.734 4.470 -0.000 0.000 0.269 370 S C 0.732 175.368 174.600 0.060 0.000 1.153 370 S CA -0.768 57.433 58.200 0.002 0.000 0.835 370 S CB 1.124 64.323 63.200 -0.002 0.000 1.122 370 S HN -0.222 nan 8.310 nan 0.000 0.462 371 V N 2.542 122.480 119.914 0.040 0.000 2.323 371 V HA -0.014 4.106 4.120 -0.000 0.000 0.244 371 V C 2.410 178.594 176.094 0.149 0.000 1.041 371 V CA 1.879 64.242 62.300 0.105 0.000 1.025 371 V CB -1.025 30.831 31.823 0.056 0.000 0.656 371 V HN 0.790 nan 8.190 nan 0.000 0.451 372 L N 1.256 122.515 121.223 0.061 0.000 2.017 372 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 372 L C 2.677 179.563 176.870 0.027 0.000 1.073 372 L CA 2.868 57.713 54.840 0.008 0.000 0.745 372 L CB -0.975 40.955 42.059 -0.216 0.000 0.894 372 L HN 0.582 nan 8.230 nan 0.000 0.432 373 T N -4.413 110.169 114.554 0.046 0.000 2.867 373 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 373 T C 1.636 176.464 174.700 0.213 0.000 1.057 373 T CA 1.051 63.209 62.100 0.095 0.000 1.136 373 T CB -1.032 67.892 68.868 0.094 0.000 0.874 373 T HN 0.549 nan 8.240 nan 0.000 0.466 374 W N 1.385 122.708 121.300 0.038 0.000 2.402 374 W HA 0.295 4.955 4.660 -0.000 0.000 0.286 374 W C 1.800 178.308 176.519 -0.018 0.000 1.221 374 W CA 0.144 57.502 57.345 0.023 0.000 1.257 374 W CB -0.378 29.085 29.460 0.005 0.000 1.120 374 W HN 0.197 nan 8.180 nan 0.000 0.551 375 L N -0.441 120.787 121.223 0.008 0.000 2.179 375 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 375 L C 1.964 178.759 176.870 -0.124 0.000 1.096 375 L CA 0.690 55.468 54.840 -0.103 0.000 0.779 375 L CB -0.400 41.708 42.059 0.081 0.000 0.922 375 L HN -0.097 nan 8.230 nan 0.000 0.443 376 L N -0.587 120.594 121.223 -0.069 0.000 2.592 376 L HA -0.046 4.294 4.340 -0.000 0.000 0.227 376 L C 2.254 179.041 176.870 -0.137 0.000 1.127 376 L CA 0.074 54.867 54.840 -0.078 0.000 0.884 376 L CB -0.407 41.611 42.059 -0.068 0.000 1.065 376 L HN 0.259 nan 8.230 nan 0.000 0.457 377 K N 1.209 121.456 120.400 -0.255 0.000 2.090 377 K HA -0.327 3.993 4.320 -0.000 0.000 0.218 377 K C 1.426 177.730 176.600 -0.493 0.000 1.055 377 K CA 2.582 58.535 56.287 -0.557 0.000 0.941 377 K CB -0.031 31.987 32.500 -0.803 0.000 0.722 377 K HN 0.223 nan 8.250 nan 0.000 0.458 378 D N -0.603 119.589 120.400 -0.347 0.000 2.224 378 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 378 D C 1.615 177.855 176.300 -0.100 0.000 0.965 378 D CA 0.837 54.701 54.000 -0.228 0.000 0.852 378 D CB 0.119 40.792 40.800 -0.210 0.000 0.947 378 D HN 0.129 nan 8.370 nan 0.000 0.494 379 S N -0.861 114.801 115.700 -0.063 0.000 2.470 379 S HA 0.114 4.584 4.470 -0.000 0.000 0.225 379 S C 1.076 175.715 174.600 0.066 0.000 1.006 379 S CA 0.134 58.349 58.200 0.025 0.000 0.934 379 S CB 0.191 63.420 63.200 0.049 0.000 0.778 379 S HN 0.238 nan 8.310 nan 0.000 0.517 380 L N 1.263 122.513 121.223 0.045 0.000 3.064 380 L HA 0.453 4.793 4.340 -0.000 0.000 0.233 380 L C 1.110 178.080 176.870 0.165 0.000 1.333 380 L CA -0.147 54.763 54.840 0.117 0.000 1.140 380 L CB 0.177 42.324 42.059 0.146 0.000 1.519 380 L HN 0.326 nan 8.230 nan 0.000 0.493 381 G N -1.330 107.532 108.800 0.103 0.000 2.234 381 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.153 381 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.153 381 G C 0.273 175.202 174.900 0.048 0.000 1.013 381 G CA -0.387 44.776 45.100 0.106 0.000 0.712 381 G HN 0.556 nan 8.290 nan 0.000 0.491 382 G N 0.017 108.816 108.800 -0.000 0.000 2.940 382 G HA2 0.449 4.409 3.960 -0.000 0.000 0.164 382 G HA3 0.449 4.409 3.960 -0.000 0.000 0.164 382 G C 0.038 174.947 174.900 0.016 0.000 1.326 382 G CA 0.109 45.194 45.100 -0.024 0.000 1.020 382 G HN 0.434 nan 8.290 nan 0.000 0.586 383 N N 0.544 119.263 118.700 0.032 0.000 3.050 383 N HA 0.314 5.054 4.740 -0.000 0.000 0.289 383 N C -0.847 174.751 175.510 0.146 0.000 1.209 383 N CA 0.112 53.219 53.050 0.095 0.000 1.154 383 N CB -0.131 38.434 38.487 0.130 0.000 1.444 383 N HN 0.292 nan 8.380 nan 0.000 0.529 384 S N 1.268 117.019 115.700 0.085 0.000 2.535 384 S HA 0.354 4.824 4.470 -0.000 0.000 0.272 384 S C -1.368 173.217 174.600 -0.025 0.000 1.149 384 S CA -0.847 57.401 58.200 0.080 0.000 0.888 384 S CB 0.761 64.014 63.200 0.089 0.000 1.110 384 S HN 0.307 nan 8.310 nan 0.000 0.463 385 K N 2.483 122.802 120.400 -0.136 0.000 2.234 385 K HA 0.511 4.831 4.320 -0.000 0.000 0.277 385 K C -0.880 175.642 176.600 -0.129 0.000 1.038 385 K CA -0.450 55.643 56.287 -0.322 0.000 0.888 385 K CB 1.653 33.676 32.500 -0.797 0.000 1.091 385 K HN 0.477 nan 8.250 nan 0.000 0.467 386 T N 1.344 115.949 114.554 0.084 0.000 2.881 386 T HA 0.504 4.854 4.350 -0.000 0.000 0.290 386 T C -1.205 173.674 174.700 0.298 0.000 1.000 386 T CA -0.585 61.685 62.100 0.284 0.000 0.978 386 T CB 1.574 70.577 68.868 0.225 0.000 0.997 386 T HN 0.642 nan 8.240 nan 0.000 0.443 387 A N 3.816 126.748 122.820 0.186 0.000 2.342 387 A HA 0.853 5.173 4.320 -0.000 0.000 0.323 387 A C -0.497 176.768 177.584 -0.532 0.000 1.125 387 A CA -0.784 51.152 52.037 -0.169 0.000 0.785 387 A CB 1.272 19.947 19.000 -0.543 0.000 1.221 387 A HN 0.854 nan 8.150 nan 0.000 0.463 388 M N 3.420 122.631 119.600 -0.648 0.000 2.268 388 M HA 0.614 5.094 4.480 -0.000 0.000 0.344 388 M C -1.677 174.286 176.300 -0.562 0.000 1.106 388 M CA -0.539 54.113 55.300 -1.080 0.000 1.010 388 M CB 0.658 32.771 32.600 -0.812 0.000 1.649 388 M HN 0.589 nan 8.290 nan 0.000 0.443 389 I N 4.926 125.217 120.570 -0.464 0.000 2.359 389 I HA 0.381 4.551 4.170 -0.000 0.000 0.284 389 I C 0.098 176.130 176.117 -0.142 0.000 1.018 389 I CA -0.773 60.384 61.300 -0.238 0.000 1.173 389 I CB 1.326 39.239 38.000 -0.145 0.000 1.326 389 I HN 0.786 nan 8.210 nan 0.000 0.462 390 A N 6.096 128.810 122.820 -0.176 0.000 2.444 390 A HA 0.331 4.651 4.320 -0.000 0.000 0.273 390 A C -0.027 177.514 177.584 -0.072 0.000 1.136 390 A CA -0.146 51.837 52.037 -0.091 0.000 0.799 390 A CB -0.204 18.654 19.000 -0.236 0.000 1.081 390 A HN 0.809 nan 8.150 nan 0.000 0.509 391 C N 3.693 122.995 119.300 0.003 0.000 2.330 391 C HA 0.666 5.126 4.460 -0.000 0.000 0.344 391 C C 0.383 175.360 174.990 -0.021 0.000 1.273 391 C CA -0.380 58.629 59.018 -0.015 0.000 1.879 391 C CB -0.839 26.901 27.740 0.000 0.000 2.376 391 C HN 0.739 nan 8.230 nan 0.000 0.534 392 I N 0.590 121.131 120.570 -0.047 0.000 2.647 392 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 392 I C -0.145 175.937 176.117 -0.059 0.000 1.078 392 I CA -0.231 61.039 61.300 -0.050 0.000 1.048 392 I CB 1.756 39.716 38.000 -0.067 0.000 1.239 392 I HN 0.497 nan 8.210 nan 0.000 0.421 393 S N 5.315 120.992 115.700 -0.039 0.000 2.545 393 S HA 0.444 4.914 4.470 -0.000 0.000 0.275 393 S C -1.435 173.137 174.600 -0.046 0.000 1.299 393 S CA -1.249 56.932 58.200 -0.031 0.000 1.048 393 S CB 0.819 64.024 63.200 0.009 0.000 0.938 393 S HN 0.683 nan 8.310 nan 0.000 0.496 394 P HA 0.038 nan 4.420 nan 0.000 0.237 394 P C 0.948 178.252 177.300 0.005 0.000 1.178 394 P CA 0.765 63.753 63.100 -0.186 0.000 0.766 394 P CB -0.155 31.206 31.700 -0.564 0.000 0.876 395 T N -6.087 108.529 114.554 0.103 0.000 2.969 395 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 395 T C 0.626 175.408 174.700 0.136 0.000 1.021 395 T CA -0.028 62.175 62.100 0.171 0.000 1.003 395 T CB -0.341 68.652 68.868 0.209 0.000 1.040 395 T HN -0.155 nan 8.240 nan 0.000 0.492 396 D N 0.699 121.158 120.400 0.099 0.000 2.380 396 D HA 0.198 4.838 4.640 -0.000 0.000 0.230 396 D C 0.137 176.502 176.300 0.108 0.000 1.154 396 D CA -0.554 53.506 54.000 0.100 0.000 0.859 396 D CB 0.910 41.749 40.800 0.064 0.000 1.045 396 D HN 0.237 nan 8.370 nan 0.000 0.495 397 Y N 4.082 124.410 120.300 0.046 0.000 2.092 397 Y HA -0.207 4.343 4.550 -0.000 0.000 0.282 397 Y C 1.324 177.253 175.900 0.047 0.000 1.126 397 Y CA 1.900 60.030 58.100 0.050 0.000 1.111 397 Y CB 0.246 38.736 38.460 0.050 0.000 0.987 397 Y HN 0.355 nan 8.280 nan 0.000 0.489 398 D N -0.275 120.264 120.400 0.233 0.000 2.117 398 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 398 D C 1.901 178.204 176.300 0.005 0.000 0.982 398 D CA 1.358 55.430 54.000 0.120 0.000 0.828 398 D CB -0.294 40.612 40.800 0.178 0.000 0.967 398 D HN 0.269 nan 8.370 nan 0.000 0.464 399 E N 0.149 120.368 120.200 0.032 0.000 2.118 399 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 399 E C 2.121 178.715 176.600 -0.010 0.000 0.992 399 E CA 1.021 57.434 56.400 0.021 0.000 0.804 399 E CB -0.456 29.264 29.700 0.032 0.000 0.741 399 E HN 0.264 nan 8.360 nan 0.000 0.458 400 T N 1.269 115.788 114.554 -0.058 0.000 2.812 400 T HA -0.091 4.259 4.350 -0.000 0.000 0.264 400 T C 1.827 176.434 174.700 -0.154 0.000 1.042 400 T CA 0.668 62.711 62.100 -0.095 0.000 1.140 400 T CB -0.201 68.607 68.868 -0.100 0.000 0.870 400 T HN 0.045 nan 8.240 nan 0.000 0.445 401 L N 1.250 122.334 121.223 -0.232 0.000 2.079 401 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 401 L C 2.377 179.170 176.870 -0.129 0.000 1.081 401 L CA 1.666 56.379 54.840 -0.211 0.000 0.752 401 L CB -0.773 41.125 42.059 -0.269 0.000 0.896 401 L HN 0.108 nan 8.230 nan 0.000 0.433 402 S N -1.219 114.429 115.700 -0.086 0.000 2.345 402 S HA -0.166 4.304 4.470 -0.000 0.000 0.220 402 S C 1.776 176.346 174.600 -0.050 0.000 1.031 402 S CA 1.620 59.769 58.200 -0.086 0.000 0.996 402 S CB -0.602 62.595 63.200 -0.005 0.000 0.882 402 S HN 0.581 nan 8.310 nan 0.000 0.445 403 T N 3.492 118.086 114.554 0.068 0.000 2.597 403 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 403 T C 1.788 176.469 174.700 -0.032 0.000 1.053 403 T CA 1.404 63.603 62.100 0.166 0.000 1.165 403 T CB -0.743 68.212 68.868 0.145 0.000 0.863 403 T HN 0.217 nan 8.240 nan 0.000 0.427 404 L N 0.378 121.486 121.223 -0.192 0.000 2.013 404 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 404 L C 3.048 179.732 176.870 -0.311 0.000 1.073 404 L CA 1.343 55.937 54.840 -0.410 0.000 0.753 404 L CB -0.543 41.013 42.059 -0.839 0.000 0.890 404 L HN 0.127 nan 8.230 nan 0.000 0.432 405 R N -0.461 119.916 120.500 -0.206 0.000 2.096 405 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 405 R C 2.144 178.415 176.300 -0.048 0.000 1.139 405 R CA 1.816 57.871 56.100 -0.075 0.000 0.952 405 R CB -1.111 29.091 30.300 -0.163 0.000 0.854 405 R HN 0.454 nan 8.270 nan 0.000 0.436 406 Y N 0.452 120.722 120.300 -0.049 0.000 2.114 406 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 406 Y C 2.631 178.485 175.900 -0.077 0.000 1.143 406 Y CA 0.933 58.972 58.100 -0.101 0.000 1.135 406 Y CB -0.344 37.953 38.460 -0.272 0.000 0.980 406 Y HN 0.154 nan 8.280 nan 0.000 0.499 407 A N 0.163 123.026 122.820 0.072 0.000 1.892 407 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 407 A C 1.781 179.545 177.584 0.300 0.000 1.188 407 A CA 2.346 54.417 52.037 0.056 0.000 0.631 407 A CB -1.028 17.850 19.000 -0.204 0.000 0.822 407 A HN 0.537 nan 8.150 nan 0.000 0.447 408 D N -1.136 119.477 120.400 0.356 0.000 2.104 408 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 408 D C 2.122 178.535 176.300 0.189 0.000 0.994 408 D CA 1.774 55.959 54.000 0.308 0.000 0.830 408 D CB -0.263 40.736 40.800 0.330 0.000 0.959 408 D HN 0.605 nan 8.370 nan 0.000 0.452 409 Q N -0.584 119.316 119.800 0.168 0.000 2.124 409 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 409 Q C 1.854 177.928 176.000 0.123 0.000 0.977 409 Q CA 1.743 57.629 55.803 0.138 0.000 0.850 409 Q CB -0.256 28.583 28.738 0.169 0.000 0.901 409 Q HN 0.324 nan 8.270 nan 0.000 0.429 410 A N -0.016 122.883 122.820 0.131 0.000 2.119 410 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 410 A C 1.775 179.420 177.584 0.100 0.000 1.152 410 A CA 0.896 52.997 52.037 0.107 0.000 0.708 410 A CB -0.166 18.892 19.000 0.096 0.000 0.805 410 A HN 0.290 nan 8.150 nan 0.000 0.460 411 K N -0.360 120.109 120.400 0.115 0.000 2.160 411 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 411 K C 2.065 178.705 176.600 0.067 0.000 1.047 411 K CA 1.618 57.962 56.287 0.095 0.000 0.930 411 K CB -0.120 32.437 32.500 0.095 0.000 0.720 411 K HN 0.310 nan 8.250 nan 0.000 0.450 412 R N 0.460 120.999 120.500 0.065 0.000 2.189 412 R HA 0.095 4.435 4.340 -0.000 0.000 0.218 412 R C 0.116 176.445 176.300 0.050 0.000 1.074 412 R CA 0.339 56.469 56.100 0.050 0.000 0.991 412 R CB -0.088 30.241 30.300 0.047 0.000 0.883 412 R HN 0.109 nan 8.270 nan 0.000 0.457 413 I N 1.717 122.323 120.570 0.061 0.000 2.668 413 I HA -0.076 4.094 4.170 -0.000 0.000 0.285 413 I C 0.667 176.817 176.117 0.055 0.000 1.168 413 I CA 0.417 61.754 61.300 0.062 0.000 1.424 413 I CB 0.400 38.448 38.000 0.080 0.000 1.377 413 I HN 0.063 nan 8.210 nan 0.000 0.560 414 R N 3.607 124.135 120.500 0.048 0.000 2.549 414 R HA 0.574 4.914 4.340 -0.000 0.000 0.267 414 R C -0.512 175.812 176.300 0.039 0.000 1.045 414 R CA -0.458 55.664 56.100 0.037 0.000 1.115 414 R CB 1.393 31.710 30.300 0.029 0.000 1.121 414 R HN 0.708 nan 8.270 nan 0.000 0.543 415 T N -0.182 114.384 114.554 0.020 0.000 2.965 415 T HA 0.311 4.661 4.350 -0.000 0.000 0.306 415 T C -0.258 174.444 174.700 0.002 0.000 0.991 415 T CA -1.013 61.094 62.100 0.013 0.000 1.001 415 T CB 1.271 70.135 68.868 -0.007 0.000 0.984 415 T HN 0.396 nan 8.240 nan 0.000 0.446 416 R N 2.023 122.534 120.500 0.019 0.000 4.980 416 R HA 0.497 4.837 4.340 -0.000 0.000 0.190 416 R C 0.777 177.096 176.300 0.032 0.000 2.095 416 R CA -0.041 56.072 56.100 0.022 0.000 1.717 416 R CB -0.759 29.556 30.300 0.026 0.000 1.337 416 R HN 0.832 nan 8.270 nan 0.000 0.820 417 A N -0.059 122.774 122.820 0.022 0.000 2.302 417 A HA 0.616 4.936 4.320 -0.000 0.000 0.285 417 A C -0.432 177.246 177.584 0.158 0.000 1.105 417 A CA -0.417 51.659 52.037 0.066 0.000 0.816 417 A CB 1.092 20.065 19.000 -0.045 0.000 1.067 417 A HN 0.228 nan 8.150 nan 0.000 0.489 418 V N 1.456 121.507 119.914 0.229 0.000 3.012 418 V HA 0.276 4.396 4.120 -0.000 0.000 0.307 418 V C -0.468 175.594 176.094 -0.054 0.000 1.166 418 V CA -0.590 61.785 62.300 0.126 0.000 0.974 418 V CB 2.304 34.152 31.823 0.042 0.000 1.040 418 V HN 0.739 nan 8.190 nan 0.000 0.428 419 V N 4.332 124.109 119.914 -0.229 0.000 2.521 419 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 419 V C 0.408 176.336 176.094 -0.277 0.000 1.034 419 V CA -0.394 61.634 62.300 -0.453 0.000 1.045 419 V CB 0.768 32.345 31.823 -0.410 0.000 0.974 419 V HN 0.833 nan 8.190 nan 0.000 0.480 420 N N 6.328 124.835 118.700 -0.321 0.000 2.602 420 N HA 0.266 5.006 4.740 -0.000 0.000 0.238 420 N C -0.360 175.055 175.510 -0.159 0.000 1.084 420 N CA -0.067 52.848 53.050 -0.225 0.000 0.952 420 N CB 0.998 39.296 38.487 -0.315 0.000 1.244 420 N HN 0.718 nan 8.380 nan 0.000 0.512 421 Q N 0.415 120.144 119.800 -0.117 0.000 2.413 421 Q HA 0.679 5.019 4.340 -0.000 0.000 0.276 421 Q C -0.943 175.018 176.000 -0.065 0.000 1.099 421 Q CA -0.870 54.880 55.803 -0.088 0.000 0.814 421 Q CB 2.946 31.635 28.738 -0.082 0.000 1.379 421 Q HN 0.143 nan 8.270 nan 0.000 0.436 422 V N 0.861 120.741 119.914 -0.056 0.000 3.007 422 V HA 0.273 4.393 4.120 -0.000 0.000 0.311 422 V C -0.904 175.162 176.094 -0.046 0.000 1.120 422 V CA -0.728 61.544 62.300 -0.047 0.000 0.980 422 V CB 2.494 34.290 31.823 -0.045 0.000 1.033 422 V HN 0.776 nan 8.190 nan 0.000 0.429 423 D N 0.000 120.375 120.400 -0.042 0.000 6.856 423 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 423 D CA 0.000 53.975 54.000 -0.042 0.000 0.868 423 D CB 0.000 40.778 40.800 -0.038 0.000 0.688 423 D HN 0.000 nan 8.370 nan 0.000 0.683